id summary reporter owner description type status priority milestone component version resolution keywords cc blockedby blocking notify_on_close platform project 20606 Intersection operator (&) does not maintain atom ordering mdmxd4@… Eric Pettersen "{{{ The following bug report has been submitted: Platform: Windows-10-10.0.26200 ChimeraX Version: 1.8rc202405220104 (2024-05-22 01:04:59 UTC) Description The rmsd command gives different values across sessions when using &~H, but not when atom names are listed explicitly. For reference, a co-crystal pdb and docking pdb were compared. The protein was expected to be the same and was using matchmaker. The ligand was expected to have some variation. Upon attempting to measure the variation, I could do so using specified atoms and get the same values regardless of which time the files were opened. However, each time the files were opened, using the &~H command gave different results. I tested this multiple times using whole ligand, individual atoms, and combinations of atoms across multiple sessions. Even single atoms failed to produce the same result. Log: UCSF ChimeraX version: 1.8rc202405220104 (2024-05-22) © 2016-2024 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open ""C:\\\Users\\\purpl\\\OneDrive\\\Desktop\\\T1 New DB > Work\\\1hvu.cif\\\1hvu.cif"" 1hvu.cif title: Human immunodeficiency virus type 1 reverse transcriptase complexed with A 33-base nucleotide RNA pseudoknot [more info...] Chain information for 1hvu.cif #1 --- Chain | Description | UniProt A D G J | PROTEIN (HIV-1 REVERSE TRANSCRIPTASE) | POL_HV1B1 1-554 B E H K | PROTEIN (HIV-1 REVERSE TRANSCRIPTASE) | POL_HV1B1 5-427 C F I L | RNA (33 NUCLEOTIDE RNA PSEUDOKNOT) | 1hvu.cif mmCIF Assemblies --- 1| author_defined_assembly 2| author_defined_assembly 3| author_defined_assembly 4| author_defined_assembly > delete #1/D,E,G,H,J,K,I,L,F > select #1/* 5354 atoms, 5427 bonds, 28 pseudobonds, 984 residues, 3 models selected > set bgColor white > show sel cartoons > hide sel atoms > select subtract #1 Nothing selected > open ""C:/Users/purpl/OneDrive/Desktop/HADDOCK/T1-RT/T1-RT_full_dimer/Closed > - T1-RT - 1HVU_RT_1HVU_T1/Constraints 13-82-154-275-22-324-388 > DDDD/724825-T1-RT_Exp_14_summary/cluster1_4.pdb"" Summary of feedback from opening C:/Users/purpl/OneDrive/Desktop/HADDOCK/T1-RT/T1-RT_full_dimer/Closed - T1-RT - 1HVU_RT_1HVU_T1/Constraints 13-82-154-275-22-324-388 DDDD/724825-T1-RT_Exp_14_summary/cluster1_4.pdb --- warnings | Ignored bad PDB record found on line 1 REMARK FILENAME=""complex_168w.pdb"" Ignored bad PDB record found on line 2 REMARK =============================================================== Ignored bad PDB record found on line 3 REMARK HADDOCK run for complex Ignored bad PDB record found on line 4 REMARK initial structure: complex_168.pdb Ignored bad PDB record found on line 5 REMARK =============================================================== 29 messages similar to the above omitted Chain information for cluster1_4.pdb #2 --- Chain | Description A | No description available B | No description available > matchmaker #1/A to #2/A Parameters --- Chain pairing | bb Alignment algorithm | Needleman-Wunsch Similarity matrix | BLOSUM-62 SS fraction | 0.3 Gap open (HH/SS/other) | 18/18/6 Gap extend | 1 SS matrix | | | H | S | O ---|---|---|--- H | 6 | -9 | -6 S | | 6 | -6 O | | | 4 Iteration cutoff | 2 Matchmaker cluster1_4.pdb, chain A (#2) with 1hvu.cif, chain A (#1), sequence alignment score = 2683.4 RMSD between 552 pruned atom pairs is 0.624 angstroms; (across all 554 pairs: 0.642) > rmsd #1/C&~H to #2/B&~H RMSD between 638 atom pairs is 20.298 > rmsd #1/C:14,16,25,30,31,32,33&~H to #2/B:14,16,25,30,31,32,33&~H RMSD between 149 atom pairs is 20.224 > matchmaker #1/A to #2/A Parameters --- Chain pairing | bb Alignment algorithm | Needleman-Wunsch Similarity matrix | BLOSUM-62 SS fraction | 0.3 Gap open (HH/SS/other) | 18/18/6 Gap extend | 1 SS matrix | | | H | S | O ---|---|---|--- H | 6 | -9 | -6 S | | 6 | -6 O | | | 4 Iteration cutoff | 2 Matchmaker cluster1_4.pdb, chain A (#2) with 1hvu.cif, chain A (#1), sequence alignment score = 2683.4 RMSD between 552 pruned atom pairs is 0.624 angstroms; (across all 554 pairs: 0.642) > rmsd #1/C&~H to #2/B&~H RMSD between 638 atom pairs is 20.298 > rmsd #1/C:14,16,25,30,31,32,33&~H to #2/B:14,16,25,30,31,32,33&~H RMSD between 149 atom pairs is 20.224 > rmsd #1/C@C1' to #2/B@C1' RMSD between 30 atom pairs is 8.073 > rmsd #1/C@P to #2/B@P RMSD between 29 atom pairs is 8.650 > info atoms #1/B atom id #1/B:5@N idatm_type N3+ atom id #1/B:5@CA idatm_type C3 atom id #1/B:5@C idatm_type C2 atom id #1/B:5@O idatm_type O2 atom id #1/B:5@CB idatm_type C3 atom id #1/B:6@N idatm_type Npl atom id #1/B:6@CA idatm_type C3 atom id #1/B:6@C idatm_type C2 atom id #1/B:6@O idatm_type O2 atom id #1/B:6@CB idatm_type C3 atom id #1/B:7@N idatm_type Npl atom id #1/B:7@CA idatm_type C3 atom id #1/B:7@C idatm_type C2 atom id #1/B:7@O idatm_type O2 atom id #1/B:7@CB idatm_type C3 atom id #1/B:8@N idatm_type Npl atom id #1/B:8@CA idatm_type C3 atom id #1/B:8@C idatm_type C2 atom id #1/B:8@O idatm_type O2 atom id #1/B:8@CB idatm_type C3 atom id #1/B:9@N idatm_type Npl atom id #1/B:9@CA idatm_type C3 atom id #1/B:9@C idatm_type C2 atom id #1/B:9@O idatm_type O2 atom id #1/B:9@CB idatm_type C3 atom id #1/B:10@N idatm_type Npl atom id #1/B:10@CA idatm_type C3 atom id #1/B:10@C idatm_type C2 atom id #1/B:10@O idatm_type O2 atom id #1/B:10@CB idatm_type C3 atom id #1/B:11@N idatm_type Npl atom id #1/B:11@CA idatm_type C3 atom id #1/B:11@C idatm_type C2 atom id #1/B:11@O idatm_type O2 atom id #1/B:11@CB idatm_type C3 atom id #1/B:12@N idatm_type Npl atom id #1/B:12@CA idatm_type C3 atom id #1/B:12@C idatm_type C2 atom id #1/B:12@O idatm_type O2 atom id #1/B:12@CB idatm_type C3 atom id #1/B:13@N idatm_type Npl atom id #1/B:13@CA idatm_type C3 atom id #1/B:13@C idatm_type C2 atom id #1/B:13@O idatm_type O2 atom id #1/B:13@CB idatm_type C3 atom id #1/B:14@N idatm_type Npl atom id #1/B:14@CA idatm_type C3 atom id #1/B:14@C idatm_type C2 atom id #1/B:14@O idatm_type O2 atom id #1/B:14@CB idatm_type C3 atom id #1/B:15@N idatm_type Npl atom id #1/B:15@CA idatm_type C3 atom id #1/B:15@C idatm_type C2 atom id #1/B:15@O idatm_type O2 atom id #1/B:16@N idatm_type Npl atom id #1/B:16@CA idatm_type C3 atom id #1/B:16@C idatm_type C2 atom id #1/B:16@O idatm_type O2 atom id #1/B:16@CB idatm_type C3 atom id #1/B:17@N idatm_type Npl atom id #1/B:17@CA idatm_type C3 atom id #1/B:17@C idatm_type C2 atom id #1/B:17@O idatm_type O2 atom id #1/B:17@CB idatm_type C3 atom id #1/B:18@N idatm_type Npl atom id #1/B:18@CA idatm_type C3 atom id #1/B:18@C idatm_type C2 atom id #1/B:18@O idatm_type O2 atom id #1/B:19@N idatm_type Npl atom id #1/B:19@CA idatm_type C3 atom id #1/B:19@C idatm_type C2 atom id #1/B:19@O idatm_type O2 atom id #1/B:19@CB idatm_type C3 atom id #1/B:20@N idatm_type Npl atom id #1/B:20@CA idatm_type C3 atom id #1/B:20@C idatm_type C2 atom id #1/B:20@O idatm_type O2 atom id #1/B:20@CB idatm_type C3 atom id #1/B:21@N idatm_type Npl atom id #1/B:21@CA idatm_type C3 atom id #1/B:21@C idatm_type C2 atom id #1/B:21@O idatm_type O2 atom id #1/B:21@CB idatm_type C3 atom id #1/B:22@N idatm_type Npl atom id #1/B:22@CA idatm_type C3 atom id #1/B:22@C idatm_type C2 atom id #1/B:22@O idatm_type O2 atom id #1/B:22@CB idatm_type C3 atom id #1/B:23@N idatm_type Npl atom id #1/B:23@CA idatm_type C3 atom id #1/B:23@C idatm_type C2 atom id #1/B:23@O idatm_type O2 atom id #1/B:23@CB idatm_type C3 atom id #1/B:24@N idatm_type Npl atom id #1/B:24@CA idatm_type C3 atom id #1/B:24@C idatm_type C2 atom id #1/B:24@O idatm_type O2 atom id #1/B:24@CB idatm_type C3 atom id #1/B:25@N idatm_type Npl atom id #1/B:25@CA idatm_type C3 atom id #1/B:25@C idatm_type C2 atom id #1/B:25@O idatm_type O2 atom id #1/B:25@CB idatm_type C3 atom id #1/B:26@N idatm_type Npl atom id #1/B:26@CA idatm_type C3 atom id #1/B:26@C idatm_type C2 atom id #1/B:26@O idatm_type O2 atom id #1/B:26@CB idatm_type C3 atom id #1/B:27@N idatm_type Npl atom id #1/B:27@CA idatm_type C3 atom id #1/B:27@C idatm_type C2 atom id #1/B:27@O idatm_type O2 atom id #1/B:27@CB idatm_type C3 atom id #1/B:28@N idatm_type Npl atom id #1/B:28@CA idatm_type C3 atom id #1/B:28@C idatm_type C2 atom id #1/B:28@O idatm_type O2 atom id #1/B:28@CB idatm_type C3 atom id #1/B:29@N idatm_type Npl atom id #1/B:29@CA idatm_type C3 atom id #1/B:29@C idatm_type C2 atom id #1/B:29@O idatm_type O2 atom id #1/B:29@CB idatm_type C3 atom id #1/B:30@N idatm_type Npl atom id #1/B:30@CA idatm_type C3 atom id #1/B:30@C idatm_type C2 atom id #1/B:30@O idatm_type O2 atom id #1/B:30@CB idatm_type C3 atom id #1/B:31@N idatm_type Npl atom id #1/B:31@CA idatm_type C3 atom id #1/B:31@C idatm_type C2 atom id #1/B:31@O idatm_type O2 atom id #1/B:31@CB idatm_type C3 atom id #1/B:32@N idatm_type Npl atom id #1/B:32@CA idatm_type C3 atom id #1/B:32@C idatm_type C2 atom id #1/B:32@O idatm_type O2 atom id #1/B:32@CB idatm_type C3 atom id #1/B:33@N idatm_type Npl atom id #1/B:33@CA idatm_type C3 atom id #1/B:33@C idatm_type C2 atom id #1/B:33@O idatm_type O2 atom id #1/B:33@CB idatm_type C3 atom id #1/B:34@N idatm_type Npl atom id #1/B:34@CA idatm_type C3 atom id #1/B:34@C idatm_type C2 atom id #1/B:34@O idatm_type O2 atom id #1/B:34@CB idatm_type C3 atom id #1/B:35@N idatm_type Npl atom id #1/B:35@CA idatm_type C3 atom id #1/B:35@C idatm_type C2 atom id #1/B:35@O idatm_type O2 atom id #1/B:35@CB idatm_type C3 atom id #1/B:36@N idatm_type Npl atom id #1/B:36@CA idatm_type C3 atom id #1/B:36@C idatm_type C2 atom id #1/B:36@O idatm_type O2 atom id #1/B:36@CB idatm_type C3 atom id #1/B:37@N idatm_type Npl atom id #1/B:37@CA idatm_type C3 atom id #1/B:37@C idatm_type C2 atom id #1/B:37@O idatm_type O2 atom id #1/B:37@CB idatm_type C3 atom id #1/B:38@N idatm_type Npl atom id #1/B:38@CA idatm_type C3 atom id #1/B:38@C idatm_type C2 atom id #1/B:38@O idatm_type O2 atom id #1/B:38@CB idatm_type C3 atom id #1/B:39@N idatm_type Npl atom id #1/B:39@CA idatm_type C3 atom id #1/B:39@C idatm_type C2 atom id #1/B:39@O idatm_type O2 atom id #1/B:39@CB idatm_type C3 atom id #1/B:40@N idatm_type Npl atom id #1/B:40@CA idatm_type C3 atom id #1/B:40@C idatm_type C2 atom id #1/B:40@O idatm_type O2 atom id #1/B:40@CB idatm_type C3 atom id #1/B:41@N idatm_type Npl atom id #1/B:41@CA idatm_type C3 atom id #1/B:41@C idatm_type C2 atom id #1/B:41@O idatm_type O2 atom id #1/B:41@CB idatm_type C3 atom id #1/B:42@N idatm_type Npl atom id #1/B:42@CA idatm_type C3 atom id #1/B:42@C idatm_type C2 atom id #1/B:42@O idatm_type O2 atom id #1/B:42@CB idatm_type C3 atom id #1/B:43@N idatm_type Npl atom id #1/B:43@CA idatm_type C3 atom id #1/B:43@C idatm_type C2 atom id #1/B:43@O idatm_type O2 atom id #1/B:43@CB idatm_type C3 atom id #1/B:44@N idatm_type Npl atom id #1/B:44@CA idatm_type C3 atom id #1/B:44@C idatm_type C2 atom id #1/B:44@O idatm_type O2 atom id #1/B:44@CB idatm_type C3 atom id #1/B:45@N idatm_type Npl atom id #1/B:45@CA idatm_type C3 atom id #1/B:45@C idatm_type C2 atom id #1/B:45@O idatm_type O2 atom id #1/B:46@N idatm_type Npl atom id #1/B:46@CA idatm_type C3 atom id #1/B:46@C idatm_type C2 atom id #1/B:46@O idatm_type O2 atom id #1/B:46@CB idatm_type C3 atom id #1/B:47@N idatm_type Npl atom id #1/B:47@CA idatm_type C3 atom id #1/B:47@C idatm_type C2 atom id #1/B:47@O idatm_type O2 atom id #1/B:47@CB idatm_type C3 atom id #1/B:48@N idatm_type Npl atom id #1/B:48@CA idatm_type C3 atom id #1/B:48@C idatm_type C2 atom id #1/B:48@O idatm_type O2 atom id #1/B:48@CB idatm_type C3 atom id #1/B:49@N idatm_type Npl atom id #1/B:49@CA idatm_type C3 atom id #1/B:49@C idatm_type C2 atom id #1/B:49@O idatm_type O2 atom id #1/B:49@CB idatm_type C3 atom id #1/B:50@N idatm_type Npl atom id #1/B:50@CA idatm_type C3 atom id #1/B:50@C idatm_type C2 atom id #1/B:50@O idatm_type O2 atom id #1/B:50@CB idatm_type C3 atom id #1/B:51@N idatm_type Npl atom id #1/B:51@CA idatm_type C3 atom id #1/B:51@C idatm_type C2 atom id #1/B:51@O idatm_type O2 atom id #1/B:52@N idatm_type Npl atom id #1/B:52@CA idatm_type C3 atom id #1/B:52@C idatm_type C2 atom id #1/B:52@O idatm_type O2 atom id #1/B:52@CB idatm_type C3 atom id #1/B:53@N idatm_type Npl atom id #1/B:53@CA idatm_type C3 atom id #1/B:53@C idatm_type C2 atom id #1/B:53@O idatm_type O2 atom id #1/B:53@CB idatm_type C3 atom id #1/B:54@N idatm_type Npl atom id #1/B:54@CA idatm_type C3 atom id #1/B:54@C idatm_type C2 atom id #1/B:54@O idatm_type O2 atom id #1/B:54@CB idatm_type C3 atom id #1/B:55@N idatm_type Npl atom id #1/B:55@CA idatm_type C3 atom id #1/B:55@C idatm_type C2 atom id #1/B:55@O idatm_type O2 atom id #1/B:55@CB idatm_type C3 atom id #1/B:56@N idatm_type Npl atom id #1/B:56@CA idatm_type C3 atom id #1/B:56@C idatm_type C2 atom id #1/B:56@O idatm_type O2 atom id #1/B:56@CB idatm_type C3 atom id #1/B:57@N idatm_type Npl atom id #1/B:57@CA idatm_type C3 atom id #1/B:57@C idatm_type C2 atom id #1/B:57@O idatm_type O2 atom id #1/B:57@CB idatm_type C3 atom id #1/B:58@N idatm_type Npl atom id #1/B:58@CA idatm_type C3 atom id #1/B:58@C idatm_type C2 atom id #1/B:58@O idatm_type O2 atom id #1/B:58@CB idatm_type C3 atom id #1/B:59@N idatm_type Npl atom id #1/B:59@CA idatm_type C3 atom id #1/B:59@C idatm_type C2 atom id #1/B:59@O idatm_type O2 atom id #1/B:59@CB idatm_type C3 atom id #1/B:60@N idatm_type Npl atom id #1/B:60@CA idatm_type C3 atom id #1/B:60@C idatm_type C2 atom id #1/B:60@O idatm_type O2 atom id #1/B:60@CB idatm_type C3 atom id #1/B:61@N idatm_type Npl atom id #1/B:61@CA idatm_type C3 atom id #1/B:61@C idatm_type C2 atom id #1/B:61@O idatm_type O2 atom id #1/B:61@CB idatm_type C3 atom id #1/B:62@N idatm_type Npl atom id #1/B:62@CA idatm_type C3 atom id #1/B:62@C idatm_type C2 atom id #1/B:62@O idatm_type O2 atom id #1/B:62@CB idatm_type C3 atom id #1/B:63@N idatm_type Npl atom id #1/B:63@CA idatm_type C3 atom id #1/B:63@C idatm_type C2 atom id #1/B:63@O idatm_type O2 atom id #1/B:63@CB idatm_type C3 atom id #1/B:64@N idatm_type Npl atom id #1/B:64@CA idatm_type C3 atom id #1/B:64@C idatm_type C2 atom id #1/B:64@O idatm_type O2 atom id #1/B:64@CB idatm_type C3 atom id #1/B:65@N idatm_type Npl atom id #1/B:65@CA idatm_type C3 atom id #1/B:65@C idatm_type C2 atom id #1/B:65@O idatm_type O2 atom id #1/B:65@CB idatm_type C3 atom id #1/B:66@N idatm_type Npl atom id #1/B:66@CA idatm_type C3 atom id #1/B:66@C idatm_type C2 atom id #1/B:66@O idatm_type O2 atom id #1/B:66@CB idatm_type C3 atom id #1/B:67@N idatm_type Npl atom id #1/B:67@CA idatm_type C3 atom id #1/B:67@C idatm_type C2 atom id #1/B:67@O idatm_type O2 atom id #1/B:67@CB idatm_type C3 atom id #1/B:68@N idatm_type Npl atom id #1/B:68@CA idatm_type C3 atom id #1/B:68@C idatm_type C2 atom id #1/B:68@O idatm_type O2 atom id #1/B:68@CB idatm_type C3 atom id #1/B:69@N idatm_type Npl atom id #1/B:69@CA idatm_type C3 atom id #1/B:69@C idatm_type C2 atom id #1/B:69@O idatm_type O2 atom id #1/B:69@CB idatm_type C3 atom id #1/B:70@N idatm_type Npl atom id #1/B:70@CA idatm_type C3 atom id #1/B:70@C idatm_type C2 atom id #1/B:70@O idatm_type O2 atom id #1/B:70@CB idatm_type C3 atom id #1/B:71@N idatm_type Npl atom id 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idatm_type C3 atom id #1/B:425@N idatm_type Npl atom id #1/B:425@CA idatm_type C3 atom id #1/B:425@C idatm_type C2 atom id #1/B:425@O idatm_type O2 atom id #1/B:425@CB idatm_type C3 atom id #1/B:426@N idatm_type Npl atom id #1/B:426@CA idatm_type C3 atom id #1/B:426@C idatm_type C2 atom id #1/B:426@O idatm_type O2 atom id #1/B:426@CB idatm_type C3 atom id #1/B:427@N idatm_type Npl atom id #1/B:427@CA idatm_type C3 atom id #1/B:427@C idatm_type C2 atom id #1/B:427@O idatm_type O2 atom id #1/B:427@CB idatm_type C3 > info atoms #1/C atom id #1/C:4@O5' idatm_type O3 atom id #1/C:4@C5' idatm_type C3 atom id #1/C:4@C4' idatm_type C3 atom id #1/C:4@O4' idatm_type O3 atom id #1/C:4@C3' idatm_type C3 atom id #1/C:4@O3' idatm_type O3 atom id #1/C:4@C2' idatm_type C3 atom id #1/C:4@O2' idatm_type O3 atom id #1/C:4@C1' idatm_type C3 atom id #1/C:4@N9 idatm_type Npl atom id #1/C:4@C8 idatm_type Car atom id #1/C:4@N7 idatm_type N2 atom id #1/C:4@C5 idatm_type Car atom id #1/C:4@C6 idatm_type Car atom id #1/C:4@N6 idatm_type Npl atom id #1/C:4@N1 idatm_type N2 atom id #1/C:4@C2 idatm_type Car atom id #1/C:4@N3 idatm_type N2 atom id #1/C:4@C4 idatm_type Car atom id #1/C:5@P idatm_type Pac atom id #1/C:5@OP1 idatm_type O3- atom id #1/C:5@OP2 idatm_type O3- atom id #1/C:5@O5' idatm_type O3 atom id #1/C:5@C5' idatm_type C3 atom id #1/C:5@C4' idatm_type C3 atom id #1/C:5@O4' idatm_type O3 atom id #1/C:5@C3' idatm_type C3 atom id #1/C:5@O3' idatm_type O3 atom id #1/C:5@C2' idatm_type C3 atom id #1/C:5@O2' idatm_type O3 atom id #1/C:5@C1' idatm_type C3 atom id #1/C:5@N9 idatm_type Npl atom id #1/C:5@C8 idatm_type Car atom id #1/C:5@N7 idatm_type N2 atom id #1/C:5@C5 idatm_type Car atom id #1/C:5@C6 idatm_type C2 atom id #1/C:5@O6 idatm_type O2 atom id #1/C:5@N1 idatm_type Npl atom id #1/C:5@C2 idatm_type C2 atom id #1/C:5@N2 idatm_type Npl atom id #1/C:5@N3 idatm_type N2 atom id #1/C:5@C4 idatm_type Car atom id #1/C:6@P idatm_type Pac atom id #1/C:6@OP1 idatm_type O3- atom id #1/C:6@OP2 idatm_type O3- atom id #1/C:6@O5' idatm_type O3 atom id #1/C:6@C5' idatm_type C3 atom id #1/C:6@C4' idatm_type C3 atom id #1/C:6@O4' idatm_type O3 atom id #1/C:6@C3' idatm_type C3 atom id #1/C:6@O3' idatm_type O3 atom id #1/C:6@C2' idatm_type C3 atom id #1/C:6@O2' idatm_type O3 atom id #1/C:6@C1' idatm_type C3 atom id #1/C:6@N9 idatm_type Npl atom id #1/C:6@C8 idatm_type Car atom id #1/C:6@N7 idatm_type N2 atom id #1/C:6@C5 idatm_type Car atom id #1/C:6@C6 idatm_type Car atom id #1/C:6@N6 idatm_type Npl atom id #1/C:6@N1 idatm_type N2 atom id #1/C:6@C2 idatm_type Car atom id #1/C:6@N3 idatm_type N2 atom id #1/C:6@C4 idatm_type Car atom id #1/C:7@P idatm_type Pac atom id #1/C:7@OP1 idatm_type O3- atom id #1/C:7@OP2 idatm_type O3- atom id #1/C:7@O5' idatm_type O3 atom id #1/C:7@C5' idatm_type C3 atom id #1/C:7@C4' idatm_type C3 atom id #1/C:7@O4' idatm_type O3 atom id #1/C:7@C3' idatm_type C3 atom id #1/C:7@O3' idatm_type O3 atom id #1/C:7@C2' idatm_type C3 atom id #1/C:7@O2' idatm_type O3 atom id #1/C:7@C1' idatm_type C3 atom id #1/C:7@N1 idatm_type Npl atom id #1/C:7@C2 idatm_type C2 atom id #1/C:7@O2 idatm_type O2 atom id #1/C:7@N3 idatm_type Npl atom id #1/C:7@C4 idatm_type C2 atom id #1/C:7@O4 idatm_type O2 atom id #1/C:7@C5 idatm_type C2 atom id #1/C:7@C6 idatm_type C2 atom id #1/C:8@P idatm_type Pac atom id #1/C:8@OP1 idatm_type O3- atom id #1/C:8@OP2 idatm_type O3- atom id #1/C:8@O5' idatm_type O3 atom id #1/C:8@C5' idatm_type C3 atom id #1/C:8@C4' idatm_type C3 atom id #1/C:8@O4' idatm_type O3 atom id #1/C:8@C3' idatm_type C3 atom id #1/C:8@O3' idatm_type O3 atom id #1/C:8@C2' idatm_type C3 atom id #1/C:8@O2' idatm_type O3 atom id #1/C:8@C1' idatm_type C3 atom id #1/C:8@N1 idatm_type Npl atom id #1/C:8@C2 idatm_type C2 atom id #1/C:8@O2 idatm_type O2 atom id #1/C:8@N3 idatm_type Npl atom id #1/C:8@C4 idatm_type C2 atom id #1/C:8@O4 idatm_type O2 atom id #1/C:8@C5 idatm_type C2 atom id #1/C:8@C6 idatm_type C2 atom id #1/C:9@P idatm_type Pac atom id #1/C:9@OP1 idatm_type O3- atom id #1/C:9@OP2 idatm_type O3- atom id #1/C:9@O5' idatm_type O3 atom id #1/C:9@C5' idatm_type C3 atom id #1/C:9@C4' idatm_type C3 atom id #1/C:9@O4' idatm_type O3 atom id #1/C:9@C3' idatm_type C3 atom id #1/C:9@O3' idatm_type O3 atom id #1/C:9@C2' idatm_type C3 atom id #1/C:9@O2' idatm_type O3 atom id #1/C:9@C1' idatm_type C3 atom id #1/C:9@N1 idatm_type Npl atom id #1/C:9@C2 idatm_type C2 atom id #1/C:9@O2 idatm_type O2 atom id #1/C:9@N3 idatm_type N2 atom id #1/C:9@C4 idatm_type C2 atom id #1/C:9@N4 idatm_type Npl atom id #1/C:9@C5 idatm_type C2 atom id #1/C:9@C6 idatm_type C2 atom id #1/C:10@P idatm_type Pac atom id #1/C:10@OP1 idatm_type O3- atom id #1/C:10@OP2 idatm_type O3- atom id #1/C:10@O5' idatm_type O3 atom id #1/C:10@C5' idatm_type C3 atom id #1/C:10@C4' idatm_type C3 atom id #1/C:10@O4' idatm_type O3 atom id #1/C:10@C3' idatm_type C3 atom id #1/C:10@O3' idatm_type O3 atom id #1/C:10@C2' idatm_type C3 atom id #1/C:10@O2' idatm_type O3 atom id #1/C:10@C1' idatm_type C3 atom id #1/C:10@N1 idatm_type Npl atom id #1/C:10@C2 idatm_type C2 atom id #1/C:10@O2 idatm_type O2 atom id #1/C:10@N3 idatm_type N2 atom id #1/C:10@C4 idatm_type C2 atom id #1/C:10@N4 idatm_type Npl atom id #1/C:10@C5 idatm_type C2 atom id #1/C:10@C6 idatm_type C2 atom id #1/C:11@P idatm_type Pac atom id #1/C:11@OP1 idatm_type O3- atom id #1/C:11@OP2 idatm_type O3- atom id #1/C:11@O5' idatm_type O3 atom id #1/C:11@C5' idatm_type C3 atom id #1/C:11@C4' idatm_type C3 atom id #1/C:11@O4' idatm_type O3 atom id #1/C:11@C3' idatm_type C3 atom id #1/C:11@O3' idatm_type O3 atom id #1/C:11@C2' idatm_type C3 atom id #1/C:11@O2' idatm_type O3 atom id #1/C:11@C1' idatm_type C3 atom id #1/C:11@N9 idatm_type Npl atom id #1/C:11@C8 idatm_type Car atom id #1/C:11@N7 idatm_type N2 atom id #1/C:11@C5 idatm_type Car atom id #1/C:11@C6 idatm_type C2 atom id #1/C:11@O6 idatm_type O2 atom id #1/C:11@N1 idatm_type Npl atom id #1/C:11@C2 idatm_type C2 atom id #1/C:11@N2 idatm_type Npl atom id #1/C:11@N3 idatm_type N2 atom id #1/C:11@C4 idatm_type Car atom id #1/C:12@P idatm_type Pac atom id #1/C:12@OP1 idatm_type O3- atom id #1/C:12@OP2 idatm_type O3- atom id #1/C:12@O5' idatm_type O3 atom id #1/C:12@C5' idatm_type C3 atom id #1/C:12@C4' idatm_type C3 atom id #1/C:12@O4' idatm_type O3 atom id #1/C:12@C3' idatm_type C3 atom id #1/C:12@O3' idatm_type O3 atom id #1/C:12@C2' idatm_type C3 atom id #1/C:12@O2' idatm_type O3 atom id #1/C:12@C1' idatm_type C3 atom id #1/C:12@N1 idatm_type Npl atom id #1/C:12@C2 idatm_type C2 atom id #1/C:12@O2 idatm_type O2 atom id #1/C:12@N3 idatm_type Npl atom id #1/C:12@C4 idatm_type C2 atom id #1/C:12@O4 idatm_type O2 atom id #1/C:12@C5 idatm_type C2 atom id #1/C:12@C6 idatm_type C2 atom id #1/C:13@P idatm_type Pac atom id #1/C:13@OP1 idatm_type O3- atom id #1/C:13@OP2 idatm_type O3- atom id #1/C:13@O5' idatm_type O3 atom id #1/C:13@C5' idatm_type C3 atom id #1/C:13@C4' idatm_type C3 atom id #1/C:13@O4' idatm_type O3 atom id #1/C:13@C3' idatm_type C3 atom id #1/C:13@O3' idatm_type O3 atom id #1/C:13@C2' idatm_type C3 atom id #1/C:13@O2' idatm_type O3 atom id #1/C:13@C1' idatm_type C3 atom id #1/C:13@N1 idatm_type Npl atom id #1/C:13@C2 idatm_type C2 atom id #1/C:13@O2 idatm_type O2 atom id #1/C:13@N3 idatm_type Npl atom id #1/C:13@C4 idatm_type C2 atom id #1/C:13@O4 idatm_type O2 atom id #1/C:13@C5 idatm_type C2 atom id #1/C:13@C6 idatm_type C2 atom id #1/C:14@P idatm_type Pac atom id #1/C:14@OP1 idatm_type O3- atom id #1/C:14@OP2 idatm_type O3- atom id #1/C:14@O5' idatm_type O3 atom id #1/C:14@C5' idatm_type C3 atom id #1/C:14@C4' idatm_type C3 atom id #1/C:14@O4' idatm_type O3 atom id #1/C:14@C3' idatm_type C3 atom id #1/C:14@O3' idatm_type O3 atom id #1/C:14@C2' idatm_type C3 atom id #1/C:14@O2' idatm_type O3 atom id #1/C:14@C1' idatm_type C3 atom id #1/C:14@N1 idatm_type Npl atom id #1/C:14@C2 idatm_type C2 atom id #1/C:14@O2 idatm_type O2 atom id #1/C:14@N3 idatm_type Npl atom id #1/C:14@C4 idatm_type C2 atom id #1/C:14@O4 idatm_type O2 atom id #1/C:14@C5 idatm_type C2 atom id #1/C:14@C6 idatm_type C2 atom id #1/C:15@P idatm_type Pac atom id #1/C:15@OP1 idatm_type O3- atom id #1/C:15@OP2 idatm_type O3- atom id #1/C:15@O5' idatm_type O3 atom id #1/C:15@C5' idatm_type C3 atom id #1/C:15@C4' idatm_type C3 atom id #1/C:15@O4' idatm_type O3 atom id #1/C:15@C3' idatm_type C3 atom id #1/C:15@O3' idatm_type O3 atom id #1/C:15@C2' idatm_type C3 atom id #1/C:15@O2' idatm_type O3 atom id #1/C:15@C1' idatm_type C3 atom id #1/C:15@N1 idatm_type Npl atom id #1/C:15@C2 idatm_type C2 atom id #1/C:15@O2 idatm_type O2 atom id #1/C:15@N3 idatm_type Npl atom id #1/C:15@C4 idatm_type C2 atom id #1/C:15@O4 idatm_type O2 atom id #1/C:15@C5 idatm_type C2 atom id #1/C:15@C6 idatm_type C2 atom id #1/C:16@P idatm_type Pac atom id #1/C:16@OP1 idatm_type O3- atom id #1/C:16@OP2 idatm_type O3- atom id #1/C:16@O5' idatm_type O3 atom id #1/C:16@C5' idatm_type C3 atom id #1/C:16@C4' idatm_type C3 atom id #1/C:16@O4' idatm_type O3 atom id #1/C:16@C3' idatm_type C3 atom id #1/C:16@O3' idatm_type O3 atom id #1/C:16@C2' idatm_type C3 atom id #1/C:16@O2' idatm_type O3 atom id #1/C:16@C1' idatm_type C3 atom id #1/C:16@N1 idatm_type Npl atom id #1/C:16@C2 idatm_type C2 atom id #1/C:16@O2 idatm_type O2 atom id #1/C:16@N3 idatm_type N2 atom id #1/C:16@C4 idatm_type C2 atom id #1/C:16@N4 idatm_type Npl atom id #1/C:16@C5 idatm_type C2 atom id #1/C:16@C6 idatm_type C2 atom id #1/C:17@P idatm_type Pac atom id #1/C:17@OP1 idatm_type O3- atom id #1/C:17@OP2 idatm_type O3- atom id #1/C:17@O5' idatm_type O3 atom id #1/C:17@C5' idatm_type C3 atom id #1/C:17@C4' idatm_type C3 atom id #1/C:17@O4' idatm_type O3 atom id #1/C:17@C3' idatm_type C3 atom id #1/C:17@O3' idatm_type O3 atom id #1/C:17@C2' idatm_type C3 atom id #1/C:17@O2' idatm_type O3 atom id #1/C:17@C1' idatm_type C3 atom id #1/C:17@N9 idatm_type Npl atom id #1/C:17@C8 idatm_type Car atom id #1/C:17@N7 idatm_type N2 atom id #1/C:17@C5 idatm_type Car atom id #1/C:17@C6 idatm_type Car atom id #1/C:17@N6 idatm_type Npl atom id #1/C:17@N1 idatm_type N2 atom id #1/C:17@C2 idatm_type Car atom id #1/C:17@N3 idatm_type N2 atom id #1/C:17@C4 idatm_type Car atom id #1/C:18@P idatm_type Pac atom id #1/C:18@OP1 idatm_type O3- atom id #1/C:18@OP2 idatm_type O3- atom id #1/C:18@O5' idatm_type O3 atom id #1/C:18@C5' idatm_type C3 atom id #1/C:18@C4' idatm_type C3 atom id #1/C:18@O4' idatm_type O3 atom id #1/C:18@C3' idatm_type C3 atom id #1/C:18@O3' idatm_type O3 atom id #1/C:18@C2' idatm_type C3 atom id #1/C:18@O2' idatm_type O3 atom id #1/C:18@C1' idatm_type C3 atom id #1/C:18@N9 idatm_type Npl atom id #1/C:18@C8 idatm_type Car atom id #1/C:18@N7 idatm_type N2 atom id #1/C:18@C5 idatm_type Car atom id #1/C:18@C6 idatm_type C2 atom id #1/C:18@O6 idatm_type O2 atom id #1/C:18@N1 idatm_type Npl atom id #1/C:18@C2 idatm_type C2 atom id #1/C:18@N2 idatm_type Npl atom id #1/C:18@N3 idatm_type N2 atom id #1/C:18@C4 idatm_type Car atom id #1/C:19@P idatm_type Pac atom id #1/C:19@OP1 idatm_type O3- atom id #1/C:19@OP2 idatm_type O3- atom id #1/C:19@O5' idatm_type O3 atom id #1/C:19@C5' idatm_type C3 atom id #1/C:19@C4' idatm_type C3 atom id #1/C:19@O4' idatm_type O3 atom id #1/C:19@C3' idatm_type C3 atom id #1/C:19@O3' idatm_type O3 atom id #1/C:19@C2' idatm_type C3 atom id #1/C:19@O2' idatm_type O3 atom id #1/C:19@C1' idatm_type C3 atom id #1/C:19@N1 idatm_type Npl atom id #1/C:19@C2 idatm_type C2 atom id #1/C:19@O2 idatm_type O2 atom id #1/C:19@N3 idatm_type Npl atom id #1/C:19@C4 idatm_type C2 atom id #1/C:19@O4 idatm_type O2 atom id #1/C:19@C5 idatm_type C2 atom id #1/C:19@C6 idatm_type C2 atom id #1/C:20@P idatm_type Pac atom id #1/C:20@OP1 idatm_type O3- atom id #1/C:20@OP2 idatm_type O3- atom id #1/C:20@O5' idatm_type O3 atom id #1/C:20@C5' idatm_type C3 atom id #1/C:20@C4' idatm_type C3 atom id #1/C:20@O4' idatm_type O3 atom id #1/C:20@C3' idatm_type C3 atom id #1/C:20@O3' idatm_type O3 atom id #1/C:20@C2' idatm_type C3 atom id #1/C:20@O2' idatm_type O3 atom id #1/C:20@C1' idatm_type C3 atom id #1/C:20@N1 idatm_type Npl atom id #1/C:20@C2 idatm_type C2 atom id #1/C:20@O2 idatm_type O2 atom id #1/C:20@N3 idatm_type N2 atom id #1/C:20@C4 idatm_type C2 atom id #1/C:20@N4 idatm_type Npl atom id #1/C:20@C5 idatm_type C2 atom id #1/C:20@C6 idatm_type C2 atom id #1/C:21@P idatm_type Pac atom id #1/C:21@OP1 idatm_type O3- atom id #1/C:21@OP2 idatm_type O3- atom id #1/C:21@O5' idatm_type O3 atom id #1/C:21@C5' idatm_type C3 atom id #1/C:21@C4' idatm_type C3 atom id #1/C:21@O4' idatm_type O3 atom id #1/C:21@C3' idatm_type C3 atom id #1/C:21@O3' idatm_type O3 atom id #1/C:21@C2' idatm_type C3 atom id #1/C:21@O2' idatm_type O3 atom id #1/C:21@C1' idatm_type C3 atom id #1/C:21@N9 idatm_type Npl atom id #1/C:21@C8 idatm_type Car atom id #1/C:21@N7 idatm_type N2 atom id #1/C:21@C5 idatm_type Car atom id #1/C:21@C6 idatm_type C2 atom id #1/C:21@O6 idatm_type O2 atom id #1/C:21@N1 idatm_type Npl atom id #1/C:21@C2 idatm_type C2 atom id #1/C:21@N2 idatm_type Npl atom id #1/C:21@N3 idatm_type N2 atom id #1/C:21@C4 idatm_type Car atom id #1/C:22@P idatm_type Pac atom id #1/C:22@OP1 idatm_type O3- atom id #1/C:22@OP2 idatm_type O3- atom id #1/C:22@O5' idatm_type O3 atom id #1/C:22@C5' idatm_type C3 atom id #1/C:22@C4' idatm_type C3 atom id #1/C:22@O4' idatm_type O3 atom id #1/C:22@C3' idatm_type C3 atom id #1/C:22@O3' idatm_type O3 atom id #1/C:22@C2' idatm_type C3 atom id #1/C:22@O2' idatm_type O3 atom id #1/C:22@C1' idatm_type C3 atom id #1/C:22@N9 idatm_type Npl atom id #1/C:22@C8 idatm_type Car atom id #1/C:22@N7 idatm_type N2 atom id #1/C:22@C5 idatm_type Car atom id #1/C:22@C6 idatm_type C2 atom id #1/C:22@O6 idatm_type O2 atom id #1/C:22@N1 idatm_type Npl atom id #1/C:22@C2 idatm_type C2 atom id #1/C:22@N2 idatm_type Npl atom id #1/C:22@N3 idatm_type N2 atom id #1/C:22@C4 idatm_type Car atom id #1/C:23@P idatm_type Pac atom id #1/C:23@OP1 idatm_type O3- atom id #1/C:23@OP2 idatm_type O3- atom id #1/C:23@O5' idatm_type O3 atom id #1/C:23@C5' idatm_type C3 atom id #1/C:23@C4' idatm_type C3 atom id #1/C:23@O4' idatm_type O3 atom id #1/C:23@C3' idatm_type C3 atom id #1/C:23@O3' idatm_type O3 atom id #1/C:23@C2' idatm_type C3 atom id #1/C:23@O2' idatm_type O3 atom id #1/C:23@C1' idatm_type C3 atom id #1/C:23@N9 idatm_type Npl atom id #1/C:23@C8 idatm_type Car atom id #1/C:23@N7 idatm_type N2 atom id #1/C:23@C5 idatm_type Car atom id #1/C:23@C6 idatm_type C2 atom id #1/C:23@O6 idatm_type O2 atom id #1/C:23@N1 idatm_type Npl atom id #1/C:23@C2 idatm_type C2 atom id #1/C:23@N2 idatm_type Npl atom id #1/C:23@N3 idatm_type N2 atom id #1/C:23@C4 idatm_type Car atom id #1/C:24@P idatm_type Pac atom id #1/C:24@OP1 idatm_type O3- atom id #1/C:24@OP2 idatm_type O3- atom id #1/C:24@O5' idatm_type O3 atom id #1/C:24@C5' idatm_type C3 atom id #1/C:24@C4' idatm_type C3 atom id #1/C:24@O4' idatm_type O3 atom id #1/C:24@C3' idatm_type C3 atom id #1/C:24@O3' idatm_type O3 atom id #1/C:24@C2' idatm_type C3 atom id #1/C:24@O2' idatm_type O3 atom id #1/C:24@C1' idatm_type C3 atom id #1/C:24@N9 idatm_type Npl atom id #1/C:24@C8 idatm_type Car atom id #1/C:24@N7 idatm_type N2 atom id #1/C:24@C5 idatm_type Car atom id #1/C:24@C6 idatm_type Car atom id #1/C:24@N6 idatm_type Npl atom id #1/C:24@N1 idatm_type N2 atom id #1/C:24@C2 idatm_type Car atom id #1/C:24@N3 idatm_type N2 atom id #1/C:24@C4 idatm_type Car atom id #1/C:25@P idatm_type Pac atom id #1/C:25@OP1 idatm_type O3- atom id #1/C:25@OP2 idatm_type O3- atom id #1/C:25@O5' idatm_type O3 atom id #1/C:25@C5' idatm_type C3 atom id #1/C:25@C4' idatm_type C3 atom id #1/C:25@O4' idatm_type O3 atom id #1/C:25@C3' idatm_type C3 atom id #1/C:25@O3' idatm_type O3 atom id #1/C:25@C2' idatm_type C3 atom id #1/C:25@O2' idatm_type O3 atom id #1/C:25@C1' idatm_type C3 atom id #1/C:25@N9 idatm_type Npl atom id #1/C:25@C8 idatm_type Car atom id #1/C:25@N7 idatm_type N2 atom id #1/C:25@C5 idatm_type Car atom id #1/C:25@C6 idatm_type Car atom id #1/C:25@N6 idatm_type Npl atom id #1/C:25@N1 idatm_type N2 atom id #1/C:25@C2 idatm_type Car atom id #1/C:25@N3 idatm_type N2 atom id #1/C:25@C4 idatm_type Car atom id #1/C:26@P idatm_type Pac atom id #1/C:26@OP1 idatm_type O3- atom id #1/C:26@OP2 idatm_type O3- atom id #1/C:26@O5' idatm_type O3 atom id #1/C:26@C5' idatm_type C3 atom id #1/C:26@C4' idatm_type C3 atom id #1/C:26@O4' idatm_type O3 atom id #1/C:26@C3' idatm_type C3 atom id #1/C:26@O3' idatm_type O3 atom id #1/C:26@C2' idatm_type C3 atom id #1/C:26@O2' idatm_type O3 atom id #1/C:26@C1' idatm_type C3 atom id #1/C:26@N9 idatm_type Npl atom id #1/C:26@C8 idatm_type Car atom id #1/C:26@N7 idatm_type N2 atom id #1/C:26@C5 idatm_type Car atom id #1/C:26@C6 idatm_type Car atom id #1/C:26@N6 idatm_type Npl atom id #1/C:26@N1 idatm_type N2 atom id #1/C:26@C2 idatm_type Car atom id #1/C:26@N3 idatm_type N2 atom id #1/C:26@C4 idatm_type Car atom id #1/C:27@P idatm_type Pac atom id #1/C:27@OP1 idatm_type O3- atom id #1/C:27@OP2 idatm_type O3- atom id #1/C:27@O5' idatm_type O3 atom id #1/C:27@C5' idatm_type C3 atom id #1/C:27@C4' idatm_type C3 atom id #1/C:27@O4' idatm_type O3 atom id #1/C:27@C3' idatm_type C3 atom id #1/C:27@O3' idatm_type O3 atom id #1/C:27@C2' idatm_type C3 atom id #1/C:27@O2' idatm_type O3 atom id #1/C:27@C1' idatm_type C3 atom id #1/C:27@N9 idatm_type Npl atom id #1/C:27@C8 idatm_type Car atom id #1/C:27@N7 idatm_type N2 atom id #1/C:27@C5 idatm_type Car atom id #1/C:27@C6 idatm_type Car atom id #1/C:27@N6 idatm_type Npl atom id #1/C:27@N1 idatm_type N2 atom id #1/C:27@C2 idatm_type Car atom id #1/C:27@N3 idatm_type N2 atom id #1/C:27@C4 idatm_type Car atom id #1/C:28@P idatm_type Pac atom id #1/C:28@OP1 idatm_type O3- atom id #1/C:28@OP2 idatm_type O3- atom id #1/C:28@O5' idatm_type O3 atom id #1/C:28@C5' idatm_type C3 atom id #1/C:28@C4' idatm_type C3 atom id #1/C:28@O4' idatm_type O3 atom id #1/C:28@C3' idatm_type C3 atom id #1/C:28@O3' idatm_type O3 atom id #1/C:28@C2' idatm_type C3 atom id #1/C:28@O2' idatm_type O3 atom id #1/C:28@C1' idatm_type C3 atom id #1/C:28@N9 idatm_type Npl atom id #1/C:28@C8 idatm_type Car atom id #1/C:28@N7 idatm_type N2 atom id #1/C:28@C5 idatm_type Car atom id #1/C:28@C6 idatm_type Car atom id #1/C:28@N6 idatm_type Npl atom id #1/C:28@N1 idatm_type N2 atom id #1/C:28@C2 idatm_type Car atom id #1/C:28@N3 idatm_type N2 atom id #1/C:28@C4 idatm_type Car atom id #1/C:29@P idatm_type Pac atom id #1/C:29@OP1 idatm_type O3- atom id #1/C:29@OP2 idatm_type O3- atom id #1/C:29@O5' idatm_type O3 atom id #1/C:29@C5' idatm_type C3 atom id #1/C:29@C4' idatm_type C3 atom id #1/C:29@O4' idatm_type O3 atom id #1/C:29@C3' idatm_type C3 atom id #1/C:29@O3' idatm_type O3 atom id #1/C:29@C2' idatm_type C3 atom id #1/C:29@O2' idatm_type O3 atom id #1/C:29@C1' idatm_type C3 atom id #1/C:29@N1 idatm_type Npl atom id #1/C:29@C2 idatm_type C2 atom id #1/C:29@O2 idatm_type O2 atom id #1/C:29@N3 idatm_type N2 atom id #1/C:29@C4 idatm_type C2 atom id #1/C:29@N4 idatm_type Npl atom id #1/C:29@C5 idatm_type C2 atom id #1/C:29@C6 idatm_type C2 atom id #1/C:30@P idatm_type Pac atom id #1/C:30@OP1 idatm_type O3- atom id #1/C:30@OP2 idatm_type O3- atom id #1/C:30@O5' idatm_type O3 atom id #1/C:30@C5' idatm_type C3 atom id #1/C:30@C4' idatm_type C3 atom id #1/C:30@O4' idatm_type O3 atom id #1/C:30@C3' idatm_type C3 atom id #1/C:30@O3' idatm_type O3 atom id #1/C:30@C2' idatm_type C3 atom id #1/C:30@O2' idatm_type O3 atom id #1/C:30@C1' idatm_type C3 atom id #1/C:30@N1 idatm_type Npl atom id #1/C:30@C2 idatm_type C2 atom id #1/C:30@O2 idatm_type O2 atom id #1/C:30@N3 idatm_type Npl atom id #1/C:30@C4 idatm_type C2 atom id #1/C:30@O4 idatm_type O2 atom id #1/C:30@C5 idatm_type C2 atom id #1/C:30@C6 idatm_type C2 atom id #1/C:31@P idatm_type Pac atom id #1/C:31@OP1 idatm_type O3- atom id #1/C:31@OP2 idatm_type O3- atom id #1/C:31@O5' idatm_type O3 atom id #1/C:31@C5' idatm_type C3 atom id #1/C:31@C4' idatm_type C3 atom id #1/C:31@O4' idatm_type O3 atom id #1/C:31@C3' idatm_type C3 atom id #1/C:31@O3' idatm_type O3 atom id #1/C:31@C2' idatm_type C3 atom id #1/C:31@O2' idatm_type O3 atom id #1/C:31@C1' idatm_type C3 atom id #1/C:31@N9 idatm_type Npl atom id #1/C:31@C8 idatm_type Car atom id #1/C:31@N7 idatm_type N2 atom id #1/C:31@C5 idatm_type Car atom id #1/C:31@C6 idatm_type C2 atom id #1/C:31@O6 idatm_type O2 atom id #1/C:31@N1 idatm_type Npl atom id #1/C:31@C2 idatm_type C2 atom id #1/C:31@N2 idatm_type Npl atom id #1/C:31@N3 idatm_type N2 atom id #1/C:31@C4 idatm_type Car atom id #1/C:32@P idatm_type Pac atom id #1/C:32@OP1 idatm_type O3- atom id #1/C:32@OP2 idatm_type O3- atom id #1/C:32@O5' idatm_type O3 atom id #1/C:32@C5' idatm_type C3 atom id #1/C:32@C4' idatm_type C3 atom id #1/C:32@O4' idatm_type O3 atom id #1/C:32@C3' idatm_type C3 atom id #1/C:32@O3' idatm_type O3 atom id #1/C:32@C2' idatm_type C3 atom id #1/C:32@O2' idatm_type O3 atom id #1/C:32@C1' idatm_type C3 atom id #1/C:32@N9 idatm_type Npl atom id #1/C:32@C8 idatm_type Car atom id #1/C:32@N7 idatm_type N2 atom id #1/C:32@C5 idatm_type Car atom id #1/C:32@C6 idatm_type Car atom id #1/C:32@N6 idatm_type Npl atom id #1/C:32@N1 idatm_type N2 atom id #1/C:32@C2 idatm_type Car atom id #1/C:32@N3 idatm_type N2 atom id #1/C:32@C4 idatm_type Car atom id #1/C:33@P idatm_type Pac atom id #1/C:33@OP1 idatm_type O3- atom id #1/C:33@OP2 idatm_type O3- atom id #1/C:33@O5' idatm_type O3 atom id #1/C:33@C5' idatm_type C3 atom id #1/C:33@C4' idatm_type C3 atom id #1/C:33@O4' idatm_type O3 atom id #1/C:33@C3' idatm_type C3 atom id #1/C:33@O3' idatm_type O3 atom id #1/C:33@C2' idatm_type C3 atom id #1/C:33@O2' idatm_type O3 atom id #1/C:33@C1' idatm_type C3 atom id #1/C:33@N9 idatm_type Npl atom id #1/C:33@C8 idatm_type Car atom id #1/C:33@N7 idatm_type N2 atom id #1/C:33@C5 idatm_type Car atom id #1/C:33@C6 idatm_type Car atom id #1/C:33@N6 idatm_type Npl atom id #1/C:33@N1 idatm_type N2 atom id #1/C:33@C2 idatm_type Car atom id #1/C:33@N3 idatm_type N2 atom id #1/C:33@C4 idatm_type Car > info atoms #2/B atom id #2/B:4@H5T idatm_type H atom id #2/B:4@O5' idatm_type O3 atom id #2/B:4@C5' idatm_type C3 atom id #2/B:4@H5' idatm_type HC atom id #2/B:4@H5'' idatm_type HC atom id #2/B:4@C4' idatm_type C3 atom id #2/B:4@H4' idatm_type HC atom id #2/B:4@O4' idatm_type O3 atom id #2/B:4@C1' idatm_type C3 atom id #2/B:4@H1' idatm_type HC atom id #2/B:4@N9 idatm_type Npl atom id #2/B:4@C4 idatm_type Car atom id #2/B:4@N3 idatm_type N2 atom id #2/B:4@C2 idatm_type Car atom id #2/B:4@H2 idatm_type HC atom id #2/B:4@N1 idatm_type N2 atom id #2/B:4@C6 idatm_type Car atom id #2/B:4@N6 idatm_type Npl atom id #2/B:4@H61 idatm_type H atom id #2/B:4@H62 idatm_type H atom id #2/B:4@C5 idatm_type Car atom id #2/B:4@N7 idatm_type N2 atom id #2/B:4@C8 idatm_type Car atom id #2/B:4@H8 idatm_type HC atom id #2/B:4@C2' idatm_type C3 atom id #2/B:4@H2' idatm_type HC atom id #2/B:4@O2' idatm_type O3 atom id #2/B:4@HO2' idatm_type H atom id #2/B:4@C3' idatm_type C3 atom id #2/B:4@H3' idatm_type HC atom id #2/B:4@O3' idatm_type O3 atom id #2/B:5@P idatm_type Pac atom id #2/B:5@OP1 idatm_type O3- atom id #2/B:5@OP2 idatm_type O3- atom id #2/B:5@O5' idatm_type O3 atom id #2/B:5@C5' idatm_type C3 atom id #2/B:5@H5' idatm_type HC atom id #2/B:5@H5'' idatm_type HC atom id #2/B:5@C4' idatm_type C3 atom id #2/B:5@H4' idatm_type HC atom id #2/B:5@O4' idatm_type O3 atom id #2/B:5@C1' idatm_type C3 atom id #2/B:5@H1' idatm_type HC atom id #2/B:5@N9 idatm_type Npl atom id #2/B:5@C4 idatm_type Car atom id #2/B:5@N3 idatm_type N2 atom id #2/B:5@C2 idatm_type C2 atom id #2/B:5@N2 idatm_type Npl atom id #2/B:5@H21 idatm_type H atom id #2/B:5@H22 idatm_type H atom id #2/B:5@N1 idatm_type Npl atom id #2/B:5@H1 idatm_type H atom id #2/B:5@C6 idatm_type C2 atom id #2/B:5@O6 idatm_type O2 atom id #2/B:5@C5 idatm_type Car atom id #2/B:5@N7 idatm_type N2 atom id #2/B:5@C8 idatm_type Car atom id #2/B:5@H8 idatm_type HC atom id #2/B:5@C2' idatm_type C3 atom id #2/B:5@H2' idatm_type HC atom id #2/B:5@O2' idatm_type O3 atom id #2/B:5@HO2' idatm_type H atom id #2/B:5@C3' idatm_type C3 atom id #2/B:5@H3' idatm_type HC atom id #2/B:5@O3' idatm_type O3 atom id #2/B:6@P idatm_type Pac atom id #2/B:6@OP1 idatm_type O3- atom id #2/B:6@OP2 idatm_type O3- atom id #2/B:6@O5' idatm_type O3 atom id #2/B:6@C5' idatm_type C3 atom id #2/B:6@H5' idatm_type HC atom id #2/B:6@H5'' idatm_type HC atom id #2/B:6@C4' idatm_type C3 atom id #2/B:6@H4' idatm_type HC atom id #2/B:6@O4' idatm_type O3 atom id #2/B:6@C1' idatm_type C3 atom id #2/B:6@H1' idatm_type HC atom id #2/B:6@N9 idatm_type Npl atom id #2/B:6@C4 idatm_type Car atom id #2/B:6@N3 idatm_type N2 atom id #2/B:6@C2 idatm_type Car atom id #2/B:6@H2 idatm_type HC atom id #2/B:6@N1 idatm_type N2 atom id #2/B:6@C6 idatm_type Car atom id #2/B:6@N6 idatm_type Npl atom id #2/B:6@H61 idatm_type H atom id #2/B:6@H62 idatm_type H atom id #2/B:6@C5 idatm_type Car atom id #2/B:6@N7 idatm_type N2 atom id #2/B:6@C8 idatm_type Car atom id #2/B:6@H8 idatm_type HC atom id #2/B:6@C2' idatm_type C3 atom id #2/B:6@H2' idatm_type HC atom id #2/B:6@O2' idatm_type O3 atom id #2/B:6@HO2' idatm_type H atom id #2/B:6@C3' idatm_type C3 atom id #2/B:6@H3' idatm_type HC atom id #2/B:6@O3' idatm_type O3 atom id #2/B:7@P idatm_type Pac atom id #2/B:7@OP1 idatm_type O3- atom id #2/B:7@OP2 idatm_type O3- atom id #2/B:7@O5' idatm_type O3 atom id #2/B:7@C5' idatm_type C3 atom id #2/B:7@H5' idatm_type HC atom id #2/B:7@H5'' idatm_type HC atom id #2/B:7@C4' idatm_type C3 atom id #2/B:7@H4' idatm_type HC atom id #2/B:7@O4' idatm_type O3 atom id #2/B:7@C1' idatm_type C3 atom id #2/B:7@H1' idatm_type HC atom id #2/B:7@N1 idatm_type Npl atom id #2/B:7@C6 idatm_type C2 atom id #2/B:7@H6 idatm_type HC atom id #2/B:7@C2 idatm_type C2 atom id #2/B:7@O2 idatm_type O2 atom id #2/B:7@N3 idatm_type Npl atom id #2/B:7@H3 idatm_type H atom id #2/B:7@C4 idatm_type C2 atom id #2/B:7@O4 idatm_type O2 atom id #2/B:7@C5 idatm_type C2 atom id #2/B:7@H5 idatm_type HC atom id #2/B:7@C2' idatm_type C3 atom id #2/B:7@H2' idatm_type HC atom id #2/B:7@O2' idatm_type O3 atom id #2/B:7@HO2' idatm_type H atom id #2/B:7@C3' idatm_type C3 atom id #2/B:7@H3' idatm_type HC atom id #2/B:7@O3' idatm_type O3 atom id #2/B:8@P idatm_type Pac atom id #2/B:8@OP1 idatm_type O3- atom id #2/B:8@OP2 idatm_type O3- atom id #2/B:8@O5' idatm_type O3 atom id #2/B:8@C5' idatm_type C3 atom id #2/B:8@H5' idatm_type HC atom id #2/B:8@H5'' idatm_type HC atom id #2/B:8@C4' idatm_type C3 atom id #2/B:8@H4' idatm_type HC atom id #2/B:8@O4' idatm_type O3 atom id #2/B:8@C1' idatm_type C3 atom id #2/B:8@H1' idatm_type HC atom id #2/B:8@N1 idatm_type Npl atom id #2/B:8@C6 idatm_type C2 atom id #2/B:8@H6 idatm_type HC atom id #2/B:8@C2 idatm_type C2 atom id #2/B:8@O2 idatm_type O2 atom id #2/B:8@N3 idatm_type Npl atom id #2/B:8@H3 idatm_type H atom id #2/B:8@C4 idatm_type C2 atom id #2/B:8@O4 idatm_type O2 atom id #2/B:8@C5 idatm_type C2 atom id #2/B:8@H5 idatm_type HC atom id #2/B:8@C2' idatm_type C3 atom id #2/B:8@H2' idatm_type HC atom id #2/B:8@O2' idatm_type O3 atom id #2/B:8@HO2' idatm_type H atom id #2/B:8@C3' idatm_type C3 atom id #2/B:8@H3' idatm_type HC atom id #2/B:8@O3' idatm_type O3 atom id #2/B:9@P idatm_type Pac atom id #2/B:9@OP1 idatm_type O3- atom id #2/B:9@OP2 idatm_type O3- atom id #2/B:9@O5' idatm_type O3 atom id #2/B:9@C5' idatm_type C3 atom id #2/B:9@H5' idatm_type HC atom id #2/B:9@H5'' idatm_type HC atom id #2/B:9@C4' idatm_type C3 atom id #2/B:9@H4' idatm_type HC atom id #2/B:9@O4' idatm_type O3 atom id #2/B:9@C1' idatm_type C3 atom id #2/B:9@H1' idatm_type HC atom id #2/B:9@N1 idatm_type Npl atom id #2/B:9@C6 idatm_type C2 atom id #2/B:9@H6 idatm_type HC atom id #2/B:9@C2 idatm_type C2 atom id #2/B:9@O2 idatm_type O2 atom id #2/B:9@N3 idatm_type N2 atom id #2/B:9@C4 idatm_type C2 atom id #2/B:9@N4 idatm_type Npl atom id #2/B:9@H41 idatm_type H atom id #2/B:9@H42 idatm_type H atom id #2/B:9@C5 idatm_type C2 atom id #2/B:9@H5 idatm_type HC atom id #2/B:9@C2' idatm_type C3 atom id #2/B:9@H2' idatm_type HC atom id #2/B:9@O2' idatm_type O3 atom id #2/B:9@HO2' idatm_type H atom id #2/B:9@C3' idatm_type C3 atom id #2/B:9@H3' idatm_type HC atom id #2/B:9@O3' idatm_type O3 atom id #2/B:10@P idatm_type Pac atom id #2/B:10@OP1 idatm_type O3- atom id #2/B:10@OP2 idatm_type O3- atom id #2/B:10@O5' idatm_type O3 atom id #2/B:10@C5' idatm_type C3 atom id #2/B:10@H5' idatm_type HC atom id #2/B:10@H5'' idatm_type HC atom id #2/B:10@C4' idatm_type C3 atom id #2/B:10@H4' idatm_type HC atom id #2/B:10@O4' idatm_type O3 atom id #2/B:10@C1' idatm_type C3 atom id #2/B:10@H1' idatm_type HC atom id #2/B:10@N1 idatm_type Npl atom id #2/B:10@C6 idatm_type C2 atom id #2/B:10@H6 idatm_type HC atom id #2/B:10@C2 idatm_type C2 atom id #2/B:10@O2 idatm_type O2 atom id #2/B:10@N3 idatm_type N2 atom id #2/B:10@C4 idatm_type C2 atom id #2/B:10@N4 idatm_type Npl atom id #2/B:10@H41 idatm_type H atom id #2/B:10@H42 idatm_type H atom id #2/B:10@C5 idatm_type C2 atom id #2/B:10@H5 idatm_type HC atom id #2/B:10@C2' idatm_type C3 atom id #2/B:10@H2' idatm_type HC atom id #2/B:10@O2' idatm_type O3 atom id #2/B:10@HO2' idatm_type H atom id #2/B:10@C3' idatm_type C3 atom id #2/B:10@H3' idatm_type HC atom id #2/B:10@O3' idatm_type O3 atom id #2/B:11@P idatm_type Pac atom id #2/B:11@OP1 idatm_type O3- atom id #2/B:11@OP2 idatm_type O3- atom id #2/B:11@O5' idatm_type O3 atom id #2/B:11@C5' idatm_type C3 atom id #2/B:11@H5' idatm_type HC atom id #2/B:11@H5'' idatm_type HC atom id #2/B:11@C4' idatm_type C3 atom id #2/B:11@H4' idatm_type HC atom id #2/B:11@O4' idatm_type O3 atom id #2/B:11@C1' idatm_type C3 atom id #2/B:11@H1' idatm_type HC atom id #2/B:11@N9 idatm_type Npl atom id #2/B:11@C4 idatm_type Car atom id #2/B:11@N3 idatm_type N2 atom id #2/B:11@C2 idatm_type C2 atom id #2/B:11@N2 idatm_type Npl atom id #2/B:11@H21 idatm_type H atom id #2/B:11@H22 idatm_type H atom id #2/B:11@N1 idatm_type Npl atom id #2/B:11@H1 idatm_type H atom id #2/B:11@C6 idatm_type C2 atom id #2/B:11@O6 idatm_type O2 atom id #2/B:11@C5 idatm_type Car atom id #2/B:11@N7 idatm_type N2 atom id #2/B:11@C8 idatm_type Car atom id #2/B:11@H8 idatm_type HC atom id #2/B:11@C2' idatm_type C3 atom id #2/B:11@H2' idatm_type HC atom id #2/B:11@O2' idatm_type O3 atom id #2/B:11@HO2' idatm_type H atom id #2/B:11@C3' idatm_type C3 atom id #2/B:11@H3' idatm_type HC atom id #2/B:11@O3' idatm_type O3 atom id #2/B:12@P idatm_type Pac atom id #2/B:12@OP1 idatm_type O3- atom id #2/B:12@OP2 idatm_type O3- atom id #2/B:12@O5' idatm_type O3 atom id #2/B:12@C5' idatm_type C3 atom id #2/B:12@H5' idatm_type HC atom id #2/B:12@H5'' idatm_type HC atom id #2/B:12@C4' idatm_type C3 atom id #2/B:12@H4' idatm_type HC atom id #2/B:12@O4' idatm_type O3 atom id #2/B:12@C1' idatm_type C3 atom id #2/B:12@H1' idatm_type HC atom id #2/B:12@N1 idatm_type Npl atom id #2/B:12@C6 idatm_type C2 atom id #2/B:12@H6 idatm_type HC atom id #2/B:12@C2 idatm_type C2 atom id #2/B:12@O2 idatm_type O2 atom id #2/B:12@N3 idatm_type Npl atom id #2/B:12@H3 idatm_type H atom id #2/B:12@C4 idatm_type C2 atom id #2/B:12@O4 idatm_type O2 atom id #2/B:12@C5 idatm_type C2 atom id #2/B:12@H5 idatm_type HC atom id #2/B:12@C2' idatm_type C3 atom id #2/B:12@H2' idatm_type HC atom id #2/B:12@O2' idatm_type O3 atom id #2/B:12@HO2' idatm_type H atom id #2/B:12@C3' idatm_type C3 atom id #2/B:12@H3' idatm_type HC atom id #2/B:12@O3' idatm_type O3 atom id #2/B:13@P idatm_type Pac atom id #2/B:13@OP1 idatm_type O3- atom id #2/B:13@OP2 idatm_type O3- atom id #2/B:13@O5' idatm_type O3 atom id #2/B:13@C5' idatm_type C3 atom id #2/B:13@H5' idatm_type HC atom id #2/B:13@H5'' idatm_type HC atom id #2/B:13@C4' idatm_type C3 atom id #2/B:13@H4' idatm_type HC atom id #2/B:13@O4' idatm_type O3 atom id #2/B:13@C1' idatm_type C3 atom id #2/B:13@H1' idatm_type HC atom id #2/B:13@N1 idatm_type Npl atom id #2/B:13@C6 idatm_type C2 atom id #2/B:13@H6 idatm_type HC atom id #2/B:13@C2 idatm_type C2 atom id #2/B:13@O2 idatm_type O2 atom id #2/B:13@N3 idatm_type Npl atom id #2/B:13@H3 idatm_type H atom id #2/B:13@C4 idatm_type C2 atom id #2/B:13@O4 idatm_type O2 atom id #2/B:13@C5 idatm_type C2 atom id #2/B:13@H5 idatm_type HC atom id #2/B:13@C2' idatm_type C3 atom id #2/B:13@H2' idatm_type HC atom id #2/B:13@O2' idatm_type O3 atom id #2/B:13@HO2' idatm_type H atom id #2/B:13@C3' idatm_type C3 atom id #2/B:13@H3' idatm_type HC atom id #2/B:13@O3' idatm_type O3 atom id #2/B:14@P idatm_type Pac atom id #2/B:14@OP1 idatm_type O3- atom id #2/B:14@OP2 idatm_type O3- atom id #2/B:14@O5' idatm_type O3 atom id #2/B:14@C5' idatm_type C3 atom id #2/B:14@H5' idatm_type HC atom id #2/B:14@H5'' idatm_type HC atom id #2/B:14@C4' idatm_type C3 atom id #2/B:14@H4' idatm_type HC atom id #2/B:14@O4' idatm_type O3 atom id #2/B:14@C1' idatm_type C3 atom id #2/B:14@H1' idatm_type HC atom id #2/B:14@N1 idatm_type Npl atom id #2/B:14@C6 idatm_type C2 atom id #2/B:14@H6 idatm_type HC atom id #2/B:14@C2 idatm_type C2 atom id #2/B:14@O2 idatm_type O2 atom id #2/B:14@N3 idatm_type Npl atom id #2/B:14@H3 idatm_type H atom id #2/B:14@C4 idatm_type C2 atom id #2/B:14@O4 idatm_type O2 atom id #2/B:14@C5 idatm_type C2 atom id #2/B:14@H5 idatm_type HC atom id #2/B:14@C2' idatm_type C3 atom id #2/B:14@H2' idatm_type HC atom id #2/B:14@O2' idatm_type O3 atom id #2/B:14@HO2' idatm_type H atom id #2/B:14@C3' idatm_type C3 atom id #2/B:14@H3' idatm_type HC atom id #2/B:14@O3' idatm_type O3 atom id #2/B:15@P idatm_type Pac atom id #2/B:15@OP1 idatm_type O3- atom id #2/B:15@OP2 idatm_type O3- atom id #2/B:15@O5' idatm_type O3 atom id #2/B:15@C5' idatm_type C3 atom id #2/B:15@H5' idatm_type HC atom id #2/B:15@H5'' idatm_type HC atom id #2/B:15@C4' idatm_type C3 atom id #2/B:15@H4' idatm_type HC atom id #2/B:15@O4' idatm_type O3 atom id #2/B:15@C1' idatm_type C3 atom id #2/B:15@H1' idatm_type HC atom id #2/B:15@N1 idatm_type Npl atom id #2/B:15@C6 idatm_type C2 atom id #2/B:15@H6 idatm_type HC atom id #2/B:15@C2 idatm_type C2 atom id #2/B:15@O2 idatm_type O2 atom id #2/B:15@N3 idatm_type Npl atom id #2/B:15@H3 idatm_type H atom id #2/B:15@C4 idatm_type C2 atom id #2/B:15@O4 idatm_type O2 atom id #2/B:15@C5 idatm_type C2 atom id #2/B:15@H5 idatm_type HC atom id #2/B:15@C2' idatm_type C3 atom id #2/B:15@H2' idatm_type HC atom id #2/B:15@O2' idatm_type O3 atom id #2/B:15@HO2' idatm_type H atom id #2/B:15@C3' idatm_type C3 atom id #2/B:15@H3' idatm_type HC atom id #2/B:15@O3' idatm_type O3 atom id #2/B:16@P idatm_type Pac atom id #2/B:16@OP1 idatm_type O3- atom id #2/B:16@OP2 idatm_type O3- atom id #2/B:16@O5' idatm_type O3 atom id #2/B:16@C5' idatm_type C3 atom id #2/B:16@H5' idatm_type HC atom id #2/B:16@H5'' idatm_type HC atom id #2/B:16@C4' idatm_type C3 atom id #2/B:16@H4' idatm_type HC atom id #2/B:16@O4' idatm_type O3 atom id #2/B:16@C1' idatm_type C3 atom id #2/B:16@H1' idatm_type HC atom id #2/B:16@N1 idatm_type Npl atom id #2/B:16@C6 idatm_type C2 atom id #2/B:16@H6 idatm_type HC atom id #2/B:16@C2 idatm_type C2 atom id #2/B:16@O2 idatm_type O2 atom id #2/B:16@N3 idatm_type N2 atom id #2/B:16@C4 idatm_type C2 atom id #2/B:16@N4 idatm_type Npl atom id #2/B:16@H41 idatm_type H atom id #2/B:16@H42 idatm_type H atom id #2/B:16@C5 idatm_type C2 atom id #2/B:16@H5 idatm_type HC atom id #2/B:16@C2' idatm_type C3 atom id #2/B:16@H2' idatm_type HC atom id #2/B:16@O2' idatm_type O3 atom id #2/B:16@HO2' idatm_type H atom id #2/B:16@C3' idatm_type C3 atom id #2/B:16@H3' idatm_type HC atom id #2/B:16@O3' idatm_type O3 atom id #2/B:17@P idatm_type Pac atom id #2/B:17@OP1 idatm_type O3- atom id #2/B:17@OP2 idatm_type O3- atom id #2/B:17@O5' idatm_type O3 atom id #2/B:17@C5' idatm_type C3 atom id #2/B:17@H5' idatm_type HC atom id #2/B:17@H5'' idatm_type HC atom id #2/B:17@C4' idatm_type C3 atom id #2/B:17@H4' idatm_type HC atom id #2/B:17@O4' idatm_type O3 atom id #2/B:17@C1' idatm_type C3 atom id #2/B:17@H1' idatm_type HC atom id #2/B:17@N9 idatm_type Npl atom id #2/B:17@C4 idatm_type Car atom id #2/B:17@N3 idatm_type N2 atom id #2/B:17@C2 idatm_type Car atom id #2/B:17@H2 idatm_type HC atom id #2/B:17@N1 idatm_type N2 atom id #2/B:17@C6 idatm_type Car atom id #2/B:17@N6 idatm_type Npl atom id #2/B:17@H61 idatm_type H atom id #2/B:17@H62 idatm_type H atom id #2/B:17@C5 idatm_type Car atom id #2/B:17@N7 idatm_type N2 atom id #2/B:17@C8 idatm_type Car atom id #2/B:17@H8 idatm_type HC atom id #2/B:17@C2' idatm_type C3 atom id #2/B:17@H2' idatm_type HC atom id #2/B:17@O2' idatm_type O3 atom id #2/B:17@HO2' idatm_type H atom id #2/B:17@C3' idatm_type C3 atom id #2/B:17@H3' idatm_type HC atom id #2/B:17@O3' idatm_type O3 atom id #2/B:18@P idatm_type Pac atom id #2/B:18@OP1 idatm_type O3- atom id #2/B:18@OP2 idatm_type O3- atom id #2/B:18@O5' idatm_type O3 atom id #2/B:18@C5' idatm_type C3 atom id #2/B:18@H5' idatm_type HC atom id #2/B:18@H5'' idatm_type HC atom id #2/B:18@C4' idatm_type C3 atom id #2/B:18@H4' idatm_type HC atom id #2/B:18@O4' idatm_type O3 atom id #2/B:18@C1' idatm_type C3 atom id #2/B:18@H1' idatm_type HC atom id #2/B:18@N9 idatm_type Npl atom id #2/B:18@C4 idatm_type Car atom id #2/B:18@N3 idatm_type N2 atom id #2/B:18@C2 idatm_type C2 atom id #2/B:18@N2 idatm_type Npl atom id #2/B:18@H21 idatm_type H atom id #2/B:18@H22 idatm_type H atom id #2/B:18@N1 idatm_type Npl atom id #2/B:18@H1 idatm_type H atom id #2/B:18@C6 idatm_type C2 atom id #2/B:18@O6 idatm_type O2 atom id #2/B:18@C5 idatm_type Car atom id #2/B:18@N7 idatm_type N2 atom id #2/B:18@C8 idatm_type Car atom id #2/B:18@H8 idatm_type HC atom id #2/B:18@C2' idatm_type C3 atom id #2/B:18@H2' idatm_type HC atom id #2/B:18@O2' idatm_type O3 atom id #2/B:18@HO2' idatm_type H atom id #2/B:18@C3' idatm_type C3 atom id #2/B:18@H3' idatm_type HC atom id #2/B:18@O3' idatm_type O3 atom id #2/B:19@P idatm_type Pac atom id #2/B:19@OP1 idatm_type O3- atom id #2/B:19@OP2 idatm_type O3- atom id #2/B:19@O5' idatm_type O3 atom id #2/B:19@C5' idatm_type C3 atom id #2/B:19@H5' idatm_type HC atom id #2/B:19@H5'' idatm_type HC atom id #2/B:19@C4' idatm_type C3 atom id #2/B:19@H4' idatm_type HC atom id #2/B:19@O4' idatm_type O3 atom id #2/B:19@C1' idatm_type C3 atom id #2/B:19@H1' idatm_type HC atom id #2/B:19@N1 idatm_type Npl atom id #2/B:19@C6 idatm_type C2 atom id #2/B:19@H6 idatm_type HC atom id #2/B:19@C2 idatm_type C2 atom id #2/B:19@O2 idatm_type O2 atom id #2/B:19@N3 idatm_type Npl atom id #2/B:19@H3 idatm_type H atom id #2/B:19@C4 idatm_type C2 atom id #2/B:19@O4 idatm_type O2 atom id #2/B:19@C5 idatm_type C2 atom id #2/B:19@H5 idatm_type HC atom id #2/B:19@C2' idatm_type C3 atom id #2/B:19@H2' idatm_type HC atom id #2/B:19@O2' idatm_type O3 atom id #2/B:19@HO2' idatm_type H atom id #2/B:19@C3' idatm_type C3 atom id #2/B:19@H3' idatm_type HC atom id #2/B:19@O3' idatm_type O3 atom id #2/B:20@P idatm_type Pac atom id #2/B:20@OP1 idatm_type O3- atom id #2/B:20@OP2 idatm_type O3- atom id #2/B:20@O5' idatm_type O3 atom id #2/B:20@C5' idatm_type C3 atom id #2/B:20@H5' idatm_type HC atom id #2/B:20@H5'' idatm_type HC atom id #2/B:20@C4' idatm_type C3 atom id #2/B:20@H4' idatm_type HC atom id #2/B:20@O4' idatm_type O3 atom id #2/B:20@C1' idatm_type C3 atom id #2/B:20@H1' idatm_type HC atom id #2/B:20@N1 idatm_type Npl atom id #2/B:20@C6 idatm_type C2 atom id #2/B:20@H6 idatm_type HC atom id #2/B:20@C2 idatm_type C2 atom id #2/B:20@O2 idatm_type O2 atom id #2/B:20@N3 idatm_type N2 atom id #2/B:20@C4 idatm_type C2 atom id #2/B:20@N4 idatm_type Npl atom id #2/B:20@H41 idatm_type H atom id #2/B:20@H42 idatm_type H atom id #2/B:20@C5 idatm_type C2 atom id #2/B:20@H5 idatm_type HC atom id #2/B:20@C2' idatm_type C3 atom id #2/B:20@H2' idatm_type HC atom id #2/B:20@O2' idatm_type O3 atom id #2/B:20@HO2' idatm_type H atom id #2/B:20@C3' idatm_type C3 atom id #2/B:20@H3' idatm_type HC atom id #2/B:20@O3' idatm_type O3 atom id #2/B:21@P idatm_type Pac atom id #2/B:21@OP1 idatm_type O3- atom id #2/B:21@OP2 idatm_type O3- atom id #2/B:21@O5' idatm_type O3 atom id #2/B:21@C5' idatm_type C3 atom id #2/B:21@H5' idatm_type HC atom id #2/B:21@H5'' idatm_type HC atom id #2/B:21@C4' idatm_type C3 atom id #2/B:21@H4' idatm_type HC atom id #2/B:21@O4' idatm_type O3 atom id #2/B:21@C1' idatm_type C3 atom id #2/B:21@H1' idatm_type HC atom id #2/B:21@N9 idatm_type Npl atom id #2/B:21@C4 idatm_type Car atom id #2/B:21@N3 idatm_type N2 atom id #2/B:21@C2 idatm_type C2 atom id #2/B:21@N2 idatm_type Npl atom id #2/B:21@H21 idatm_type H atom id #2/B:21@H22 idatm_type H atom id #2/B:21@N1 idatm_type Npl atom id #2/B:21@H1 idatm_type H atom id #2/B:21@C6 idatm_type C2 atom id #2/B:21@O6 idatm_type O2 atom id #2/B:21@C5 idatm_type Car atom id #2/B:21@N7 idatm_type N2 atom id #2/B:21@C8 idatm_type Car atom id #2/B:21@H8 idatm_type HC atom id #2/B:21@C2' idatm_type C3 atom id #2/B:21@H2' idatm_type HC atom id #2/B:21@O2' idatm_type O3 atom id #2/B:21@HO2' idatm_type H atom id #2/B:21@C3' idatm_type C3 atom id #2/B:21@H3' idatm_type HC atom id #2/B:21@O3' idatm_type O3 atom id #2/B:22@P idatm_type Pac atom id #2/B:22@OP1 idatm_type O3- atom id #2/B:22@OP2 idatm_type O3- atom id #2/B:22@O5' idatm_type O3 atom id #2/B:22@C5' idatm_type C3 atom id #2/B:22@H5' idatm_type HC atom id #2/B:22@H5'' idatm_type HC atom id #2/B:22@C4' idatm_type C3 atom id #2/B:22@H4' idatm_type HC atom id #2/B:22@O4' idatm_type O3 atom id #2/B:22@C1' idatm_type C3 atom id #2/B:22@H1' idatm_type HC atom id #2/B:22@N9 idatm_type Npl atom id #2/B:22@C4 idatm_type Car atom id #2/B:22@N3 idatm_type N2 atom id #2/B:22@C2 idatm_type C2 atom id #2/B:22@N2 idatm_type Npl atom id #2/B:22@H21 idatm_type H atom id #2/B:22@H22 idatm_type H atom id #2/B:22@N1 idatm_type Npl atom id #2/B:22@H1 idatm_type H atom id #2/B:22@C6 idatm_type C2 atom id #2/B:22@O6 idatm_type O2 atom id #2/B:22@C5 idatm_type Car atom id #2/B:22@N7 idatm_type N2 atom id #2/B:22@C8 idatm_type Car atom id #2/B:22@H8 idatm_type HC atom id #2/B:22@C2' idatm_type C3 atom id #2/B:22@H2' idatm_type HC atom id #2/B:22@O2' idatm_type O3 atom id #2/B:22@HO2' idatm_type H atom id #2/B:22@C3' idatm_type C3 atom id #2/B:22@H3' idatm_type HC atom id #2/B:22@O3' idatm_type O3 atom id #2/B:23@P idatm_type Pac atom id #2/B:23@OP1 idatm_type O3- atom id #2/B:23@OP2 idatm_type O3- atom id #2/B:23@O5' idatm_type O3 atom id #2/B:23@C5' idatm_type C3 atom id #2/B:23@H5' idatm_type HC atom id #2/B:23@H5'' idatm_type HC atom id #2/B:23@C4' idatm_type C3 atom id #2/B:23@H4' idatm_type HC atom id #2/B:23@O4' idatm_type O3 atom id #2/B:23@C1' idatm_type C3 atom id #2/B:23@H1' idatm_type HC atom id #2/B:23@N9 idatm_type Npl atom id #2/B:23@C4 idatm_type Car atom id #2/B:23@N3 idatm_type N2 atom id #2/B:23@C2 idatm_type C2 atom id #2/B:23@N2 idatm_type Npl atom id #2/B:23@H21 idatm_type H atom id #2/B:23@H22 idatm_type H atom id #2/B:23@N1 idatm_type Npl atom id #2/B:23@H1 idatm_type H atom id #2/B:23@C6 idatm_type C2 atom id #2/B:23@O6 idatm_type O2 atom id #2/B:23@C5 idatm_type Car atom id #2/B:23@N7 idatm_type N2 atom id #2/B:23@C8 idatm_type Car atom id #2/B:23@H8 idatm_type HC atom id #2/B:23@C2' idatm_type C3 atom id #2/B:23@H2' idatm_type HC atom id #2/B:23@O2' idatm_type O3 atom id #2/B:23@HO2' idatm_type H atom id #2/B:23@C3' idatm_type C3 atom id #2/B:23@H3' idatm_type HC atom id #2/B:23@O3' idatm_type O3 atom id #2/B:24@P idatm_type Pac atom id #2/B:24@OP1 idatm_type O3- atom id #2/B:24@OP2 idatm_type O3- atom id #2/B:24@O5' idatm_type O3 atom id #2/B:24@C5' idatm_type C3 atom id #2/B:24@H5' idatm_type HC atom id #2/B:24@H5'' idatm_type HC atom id #2/B:24@C4' idatm_type C3 atom id #2/B:24@H4' idatm_type HC atom id #2/B:24@O4' idatm_type O3 atom id #2/B:24@C1' idatm_type C3 atom id #2/B:24@H1' idatm_type HC atom id #2/B:24@N9 idatm_type Npl atom id #2/B:24@C4 idatm_type Car atom id #2/B:24@N3 idatm_type N2 atom id #2/B:24@C2 idatm_type Car atom id #2/B:24@H2 idatm_type HC atom id #2/B:24@N1 idatm_type N2 atom id #2/B:24@C6 idatm_type Car atom id #2/B:24@N6 idatm_type Npl atom id #2/B:24@H61 idatm_type H atom id #2/B:24@H62 idatm_type H atom id #2/B:24@C5 idatm_type Car atom id #2/B:24@N7 idatm_type N2 atom id #2/B:24@C8 idatm_type Car atom id #2/B:24@H8 idatm_type HC atom id #2/B:24@C2' idatm_type C3 atom id #2/B:24@H2' idatm_type HC atom id #2/B:24@O2' idatm_type O3 atom id #2/B:24@HO2' idatm_type H atom id #2/B:24@C3' idatm_type C3 atom id #2/B:24@H3' idatm_type HC atom id #2/B:24@O3' idatm_type O3 atom id #2/B:25@P idatm_type Pac atom id #2/B:25@OP1 idatm_type O3- atom id #2/B:25@OP2 idatm_type O3- atom id #2/B:25@O5' idatm_type O3 atom id #2/B:25@C5' idatm_type C3 atom id #2/B:25@H5' idatm_type HC atom id #2/B:25@H5'' idatm_type HC atom id #2/B:25@C4' idatm_type C3 atom id #2/B:25@H4' idatm_type HC atom id #2/B:25@O4' idatm_type O3 atom id #2/B:25@C1' idatm_type C3 atom id #2/B:25@H1' idatm_type HC atom id #2/B:25@N9 idatm_type Npl atom id #2/B:25@C4 idatm_type Car atom id #2/B:25@N3 idatm_type N2 atom id #2/B:25@C2 idatm_type Car atom id #2/B:25@H2 idatm_type HC atom id #2/B:25@N1 idatm_type N2 atom id #2/B:25@C6 idatm_type Car atom id #2/B:25@N6 idatm_type Npl atom id #2/B:25@H61 idatm_type H atom id #2/B:25@H62 idatm_type H atom id #2/B:25@C5 idatm_type Car atom id #2/B:25@N7 idatm_type N2 atom id #2/B:25@C8 idatm_type Car atom id #2/B:25@H8 idatm_type HC atom id #2/B:25@C2' idatm_type C3 atom id #2/B:25@H2' idatm_type HC atom id #2/B:25@O2' idatm_type O3 atom id #2/B:25@HO2' idatm_type H atom id #2/B:25@C3' idatm_type C3 atom id #2/B:25@H3' idatm_type HC atom id #2/B:25@O3' idatm_type O3 atom id #2/B:26@P idatm_type Pac atom id #2/B:26@OP1 idatm_type O3- atom id #2/B:26@OP2 idatm_type O3- atom id #2/B:26@O5' idatm_type O3 atom id #2/B:26@C5' idatm_type C3 atom id #2/B:26@H5' idatm_type HC atom id #2/B:26@H5'' idatm_type HC atom id #2/B:26@C4' idatm_type C3 atom id #2/B:26@H4' idatm_type HC atom id #2/B:26@O4' idatm_type O3 atom id #2/B:26@C1' idatm_type C3 atom id #2/B:26@H1' idatm_type HC atom id #2/B:26@N9 idatm_type Npl atom id #2/B:26@C4 idatm_type Car atom id #2/B:26@N3 idatm_type N2 atom id #2/B:26@C2 idatm_type Car atom id #2/B:26@H2 idatm_type HC atom id #2/B:26@N1 idatm_type N2 atom id #2/B:26@C6 idatm_type Car atom id #2/B:26@N6 idatm_type Npl atom id #2/B:26@H61 idatm_type H atom id #2/B:26@H62 idatm_type H atom id #2/B:26@C5 idatm_type Car atom id #2/B:26@N7 idatm_type N2 atom id #2/B:26@C8 idatm_type Car atom id #2/B:26@H8 idatm_type HC atom id #2/B:26@C2' idatm_type C3 atom id #2/B:26@H2' idatm_type HC atom id #2/B:26@O2' idatm_type O3 atom id #2/B:26@HO2' idatm_type H atom id #2/B:26@C3' idatm_type C3 atom id #2/B:26@H3' idatm_type HC atom id #2/B:26@O3' idatm_type O3 atom id #2/B:27@P idatm_type Pac atom id #2/B:27@OP1 idatm_type O3- atom id #2/B:27@OP2 idatm_type O3- atom id #2/B:27@O5' idatm_type O3 atom id #2/B:27@C5' idatm_type C3 atom id #2/B:27@H5' idatm_type HC atom id #2/B:27@H5'' idatm_type HC atom id #2/B:27@C4' idatm_type C3 atom id #2/B:27@H4' idatm_type HC atom id #2/B:27@O4' idatm_type O3 atom id #2/B:27@C1' idatm_type C3 atom id #2/B:27@H1' idatm_type HC atom id #2/B:27@N9 idatm_type Npl atom id #2/B:27@C4 idatm_type Car atom id #2/B:27@N3 idatm_type N2 atom id #2/B:27@C2 idatm_type Car atom id #2/B:27@H2 idatm_type HC atom id #2/B:27@N1 idatm_type N2 atom id #2/B:27@C6 idatm_type Car atom id #2/B:27@N6 idatm_type Npl atom id #2/B:27@H61 idatm_type H atom id #2/B:27@H62 idatm_type H atom id #2/B:27@C5 idatm_type Car atom id #2/B:27@N7 idatm_type N2 atom id #2/B:27@C8 idatm_type Car atom id #2/B:27@H8 idatm_type HC atom id #2/B:27@C2' idatm_type C3 atom id #2/B:27@H2' idatm_type HC atom id #2/B:27@O2' idatm_type O3 atom id #2/B:27@HO2' idatm_type H atom id #2/B:27@C3' idatm_type C3 atom id #2/B:27@H3' idatm_type HC atom id #2/B:27@O3' idatm_type O3 atom id #2/B:28@P idatm_type Pac atom id #2/B:28@OP1 idatm_type O3- atom id #2/B:28@OP2 idatm_type O3- atom id #2/B:28@O5' idatm_type O3 atom id #2/B:28@C5' idatm_type C3 atom id #2/B:28@H5' idatm_type HC atom id #2/B:28@H5'' idatm_type HC atom id #2/B:28@C4' idatm_type C3 atom id #2/B:28@H4' idatm_type HC atom id #2/B:28@O4' idatm_type O3 atom id #2/B:28@C1' idatm_type C3 atom id #2/B:28@H1' idatm_type HC atom id #2/B:28@N9 idatm_type Npl atom id #2/B:28@C4 idatm_type Car atom id #2/B:28@N3 idatm_type N2 atom id #2/B:28@C2 idatm_type Car atom id #2/B:28@H2 idatm_type HC atom id #2/B:28@N1 idatm_type N2 atom id #2/B:28@C6 idatm_type Car atom id #2/B:28@N6 idatm_type Npl atom id #2/B:28@H61 idatm_type H atom id #2/B:28@H62 idatm_type H atom id #2/B:28@C5 idatm_type Car atom id #2/B:28@N7 idatm_type N2 atom id #2/B:28@C8 idatm_type Car atom id #2/B:28@H8 idatm_type HC atom id #2/B:28@C2' idatm_type C3 atom id #2/B:28@H2' idatm_type HC atom id #2/B:28@O2' idatm_type O3 atom id #2/B:28@HO2' idatm_type H atom id #2/B:28@C3' idatm_type C3 atom id #2/B:28@H3' idatm_type HC atom id #2/B:28@O3' idatm_type O3 atom id #2/B:29@P idatm_type Pac atom id #2/B:29@OP1 idatm_type O3- atom id #2/B:29@OP2 idatm_type O3- atom id #2/B:29@O5' idatm_type O3 atom id #2/B:29@C5' idatm_type C3 atom id #2/B:29@H5' idatm_type HC atom id #2/B:29@H5'' idatm_type HC atom id #2/B:29@C4' idatm_type C3 atom id #2/B:29@H4' idatm_type HC atom id #2/B:29@O4' idatm_type O3 atom id #2/B:29@C1' idatm_type C3 atom id #2/B:29@H1' idatm_type HC atom id #2/B:29@N1 idatm_type Npl atom id #2/B:29@C6 idatm_type C2 atom id #2/B:29@H6 idatm_type HC atom id #2/B:29@C2 idatm_type C2 atom id #2/B:29@O2 idatm_type O2 atom id #2/B:29@N3 idatm_type N2 atom id #2/B:29@C4 idatm_type C2 atom id #2/B:29@N4 idatm_type Npl atom id #2/B:29@H41 idatm_type H atom id #2/B:29@H42 idatm_type H atom id #2/B:29@C5 idatm_type C2 atom id #2/B:29@H5 idatm_type HC atom id #2/B:29@C2' idatm_type C3 atom id #2/B:29@H2' idatm_type HC atom id #2/B:29@O2' idatm_type O3 atom id #2/B:29@HO2' idatm_type H atom id #2/B:29@C3' idatm_type C3 atom id #2/B:29@H3' idatm_type HC atom id #2/B:29@O3' idatm_type O3 atom id #2/B:30@P idatm_type Pac atom id #2/B:30@OP1 idatm_type O3- atom id #2/B:30@OP2 idatm_type O3- atom id #2/B:30@O5' idatm_type O3 atom id #2/B:30@C5' idatm_type C3 atom id #2/B:30@H5' idatm_type HC atom id #2/B:30@H5'' idatm_type HC atom id #2/B:30@C4' idatm_type C3 atom id #2/B:30@H4' idatm_type HC atom id #2/B:30@O4' idatm_type O3 atom id #2/B:30@C1' idatm_type C3 atom id #2/B:30@H1' idatm_type HC atom id #2/B:30@N1 idatm_type Npl atom id #2/B:30@C6 idatm_type C2 atom id #2/B:30@H6 idatm_type HC atom id #2/B:30@C2 idatm_type C2 atom id #2/B:30@O2 idatm_type O2 atom id #2/B:30@N3 idatm_type Npl atom id #2/B:30@H3 idatm_type H atom id #2/B:30@C4 idatm_type C2 atom id #2/B:30@O4 idatm_type O2 atom id #2/B:30@C5 idatm_type C2 atom id #2/B:30@H5 idatm_type HC atom id #2/B:30@C2' idatm_type C3 atom id #2/B:30@H2' idatm_type HC atom id #2/B:30@O2' idatm_type O3 atom id #2/B:30@HO2' idatm_type H atom id #2/B:30@C3' idatm_type C3 atom id #2/B:30@H3' idatm_type HC atom id #2/B:30@O3' idatm_type O3 atom id #2/B:31@P idatm_type Pac atom id #2/B:31@OP1 idatm_type O3- atom id #2/B:31@OP2 idatm_type O3- atom id #2/B:31@O5' idatm_type O3 atom id #2/B:31@C5' idatm_type C3 atom id #2/B:31@H5' idatm_type HC atom id #2/B:31@H5'' idatm_type HC atom id #2/B:31@C4' idatm_type C3 atom id #2/B:31@H4' idatm_type HC atom id #2/B:31@O4' idatm_type O3 atom id #2/B:31@C1' idatm_type C3 atom id #2/B:31@H1' idatm_type HC atom id #2/B:31@N9 idatm_type Npl atom id #2/B:31@C4 idatm_type Car atom id #2/B:31@N3 idatm_type N2 atom id #2/B:31@C2 idatm_type C2 atom id #2/B:31@N2 idatm_type Npl atom id #2/B:31@H21 idatm_type H atom id #2/B:31@H22 idatm_type H atom id #2/B:31@N1 idatm_type Npl atom id #2/B:31@H1 idatm_type H atom id #2/B:31@C6 idatm_type C2 atom id #2/B:31@O6 idatm_type O2 atom id #2/B:31@C5 idatm_type Car atom id #2/B:31@N7 idatm_type N2 atom id #2/B:31@C8 idatm_type Car atom id #2/B:31@H8 idatm_type HC atom id #2/B:31@C2' idatm_type C3 atom id #2/B:31@H2' idatm_type HC atom id #2/B:31@O2' idatm_type O3 atom id #2/B:31@HO2' idatm_type H atom id #2/B:31@C3' idatm_type C3 atom id #2/B:31@H3' idatm_type HC atom id #2/B:31@O3' idatm_type O3 atom id #2/B:32@P idatm_type Pac atom id #2/B:32@OP1 idatm_type O3- atom id #2/B:32@OP2 idatm_type O3- atom id #2/B:32@O5' idatm_type O3 atom id #2/B:32@C5' idatm_type C3 atom id #2/B:32@H5' idatm_type HC atom id #2/B:32@H5'' idatm_type HC atom id #2/B:32@C4' idatm_type C3 atom id #2/B:32@H4' idatm_type HC atom id #2/B:32@O4' idatm_type O3 atom id #2/B:32@C1' idatm_type C3 atom id #2/B:32@H1' idatm_type HC atom id #2/B:32@N9 idatm_type Npl atom id #2/B:32@C4 idatm_type Car atom id #2/B:32@N3 idatm_type N2 atom id #2/B:32@C2 idatm_type Car atom id #2/B:32@H2 idatm_type HC atom id #2/B:32@N1 idatm_type N2 atom id #2/B:32@C6 idatm_type Car atom id #2/B:32@N6 idatm_type Npl atom id #2/B:32@H61 idatm_type H atom id #2/B:32@H62 idatm_type H atom id #2/B:32@C5 idatm_type Car atom id #2/B:32@N7 idatm_type N2 atom id #2/B:32@C8 idatm_type Car atom id #2/B:32@H8 idatm_type HC atom id #2/B:32@C2' idatm_type C3 atom id #2/B:32@H2' idatm_type HC atom id #2/B:32@O2' idatm_type O3 atom id #2/B:32@HO2' idatm_type H atom id #2/B:32@C3' idatm_type C3 atom id #2/B:32@H3' idatm_type HC atom id #2/B:32@O3' idatm_type O3 atom id #2/B:33@P idatm_type Pac atom id #2/B:33@OP1 idatm_type O3- atom id #2/B:33@OP2 idatm_type O3- atom id #2/B:33@O5' idatm_type O3 atom id #2/B:33@C5' idatm_type C3 atom id #2/B:33@H5' idatm_type HC atom id #2/B:33@H5'' idatm_type HC atom id #2/B:33@C4' idatm_type C3 atom id #2/B:33@H4' idatm_type HC atom id #2/B:33@O4' idatm_type O3 atom id #2/B:33@C1' idatm_type C3 atom id #2/B:33@H1' idatm_type HC atom id #2/B:33@N9 idatm_type Npl atom id #2/B:33@C4 idatm_type Car atom id #2/B:33@N3 idatm_type N2 atom id #2/B:33@C2 idatm_type Car atom id #2/B:33@H2 idatm_type HC atom id #2/B:33@N1 idatm_type N2 atom id #2/B:33@C6 idatm_type Car atom id #2/B:33@N6 idatm_type Npl atom id #2/B:33@H61 idatm_type H atom id #2/B:33@H62 idatm_type H atom id #2/B:33@C5 idatm_type Car atom id #2/B:33@N7 idatm_type N2 atom id #2/B:33@C8 idatm_type Car atom id #2/B:33@H8 idatm_type HC atom id #2/B:33@C2' idatm_type C3 atom id #2/B:33@H2' idatm_type HC atom id #2/B:33@O2' idatm_type O3 atom id #2/B:33@HO2' idatm_type H atom id #2/B:33@H3' idatm_type HC atom id #2/B:33@C3' idatm_type C3 atom id #2/B:33@O3' idatm_type O3 atom id #2/B:33@H3T idatm_type H > rmsd #1/C:4@C1' to #2/B:4@C1' RMSD between 1 atom pairs is 9.979 > rmsd #1/C:4@C2' to #2/B:4@C2' RMSD between 1 atom pairs is 10.299 > rmsd #1/C:4@N9 to #2/B:4@N9 RMSD between 1 atom pairs is 9.184 > rmsd #1/C:30&~H to #2/B:30&~H RMSD between 20 atom pairs is 10.292 > rmsd #1/C:30,31&~H to #2/B:30,31&~H RMSD between 43 atom pairs is 11.213 > distance #1/C:30@C1' #2/B:30@C1' Distance between 1hvu.cif #1/C U 30 C1' and cluster1_4.pdb #2/B U 30 C1': 10.270Å > rmsd #1/C:30@C1',P,C2',C3',C4',C5' to #2/B:30@C1',P,C2',C3',C4',C5' RMSD between 6 atom pairs is 10.130 OpenGL version: 3.3.0 - Build 30.0.100.9836 OpenGL renderer: Intel(R) Iris(R) Xe Graphics OpenGL vendor: Intel Python: 3.11.4 Locale: en_US.cp1252 Qt version: PyQt6 6.6.1, Qt 6.6.1 Qt runtime version: 6.6.3 Qt platform: windows Manufacturer: LG Electronics Model: 17Z95P-K.AAE8U1 OS: Microsoft Windows 11 Home (Build 26200) Memory: 16,873,869,312 MaxProcessMemory: 137,438,953,344 CPU: 8 11th Gen Intel(R) Core(TM) i7-1195G7 @ 2.90GHz OSLanguage: en-US Installed Packages: alabaster: 0.7.16 appdirs: 1.4.4 asttokens: 2.4.1 Babel: 2.15.0 beautifulsoup4: 4.12.3 blockdiag: 3.0.0 blosc2: 2.0.0 build: 1.2.1 certifi: 2024.2.2 cftime: 1.6.3 charset-normalizer: 3.3.2 ChimeraX-AddCharge: 1.5.17 ChimeraX-AddH: 2.2.6 ChimeraX-AlignmentAlgorithms: 2.0.2 ChimeraX-AlignmentHdrs: 3.5 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.12.7 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.1.1 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.57 ChimeraX-AtomicLibrary: 14.0.5 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.4 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.4.6 ChimeraX-BondRot: 2.0.4 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.12.1 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.2.4 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.4 ChimeraX-ChangeChains: 1.1 ChimeraX-CheckWaters: 1.4 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.2.4 ChimeraX-ColorActions: 1.0.4 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.6 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.8rc202405220104 ChimeraX-CoreFormats: 1.2 ChimeraX-coulombic: 1.4.3 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2.4 ChimeraX-DiffPlot: 1.0 ChimeraX-DistMonitor: 1.4.2 ChimeraX-DockPrep: 1.1.3 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ESMFold: 1.0 ChimeraX-FileHistory: 1.0.1 ChimeraX-FunctionKey: 1.0.1 ChimeraX-Geometry: 1.3 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.1.1 ChimeraX-Hbonds: 2.4 ChimeraX-Help: 1.2.2 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-IUPAC: 1.0 ChimeraX-Label: 1.1.10 ChimeraX-ListInfo: 1.2.2 ChimeraX-Log: 1.1.6 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.9.1 ChimeraX-Map: 1.2 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0.1 ChimeraX-MapFilter: 2.0.1 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1.1 ChimeraX-Markers: 1.0.1 ChimeraX-Mask: 1.0.2 ChimeraX-MatchMaker: 2.1.3 ChimeraX-MCopy: 1.0 ChimeraX-MDcrds: 2.7.1 ChimeraX-MedicalToolbar: 1.0.2 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.14.1 ChimeraX-MMTF: 2.2 ChimeraX-Modeller: 1.5.16 ChimeraX-ModelPanel: 1.5 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0.3 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.2 ChimeraX-MouseModes: 1.2 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.2 ChimeraX-NMRSTAR: 1.0.2 ChimeraX-NRRD: 1.2 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.13.4 ChimeraX-PDB: 2.7.5 ChimeraX-PDBBio: 1.0.1 ChimeraX-PDBLibrary: 1.0.4 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1.1 ChimeraX-PubChem: 2.2 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.2 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.4.1 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.2 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 4.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0.2 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-Segmentations: 3.0.7 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.11.2 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.1.1 ChimeraX-ShowSequences: 1.0.3 ChimeraX-SideView: 1.0.1 ChimeraX-Smiles: 2.1.2 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.16.5 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.2.1 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.5 ChimeraX-TapeMeasure: 1.0 ChimeraX-TaskManager: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.1.2 ChimeraX-ToolshedUtils: 1.2.4 ChimeraX-Topography: 1.0 ChimeraX-ToQuest: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.39.1 ChimeraX-uniprot: 2.3 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.4.1 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-vrml: 1.0 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.2 ChimeraX-WebServices: 1.1.4 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.2.2 comtypes: 1.4.1 contourpy: 1.2.1 cxservices: 1.2.2 cycler: 0.12.1 Cython: 3.0.10 debugpy: 1.8.1 decorator: 5.1.1 docutils: 0.20.1 executing: 2.0.1 filelock: 3.13.4 fonttools: 4.51.0 funcparserlib: 2.0.0a0 glfw: 2.7.0 grako: 3.16.5 h5py: 3.11.0 html2text: 2024.2.26 idna: 3.7 ihm: 1.0 imagecodecs: 2024.1.1 imagesize: 1.4.1 ipykernel: 6.29.2 ipython: 8.21.0 ipywidgets: 8.1.2 jedi: 0.19.1 jinja2: 3.1.4 jupyter-client: 8.6.0 jupyter-core: 5.7.2 jupyterlab-widgets: 3.0.10 kiwisolver: 1.4.5 line-profiler: 4.1.2 lxml: 5.2.1 lz4: 4.3.3 MarkupSafe: 2.1.5 matplotlib: 3.8.4 matplotlib-inline: 0.1.7 msgpack: 1.0.8 nest-asyncio: 1.6.0 netCDF4: 1.6.5 networkx: 3.3 nibabel: 5.2.0 nptyping: 2.5.0 numexpr: 2.10.0 numpy: 1.26.4 openvr: 1.26.701 packaging: 24.0 ParmEd: 4.2.2 parso: 0.8.4 pep517: 0.13.1 pillow: 10.3.0 pip: 24.0 pkginfo: 1.10.0 platformdirs: 4.2.2 prompt-toolkit: 3.0.43 psutil: 5.9.8 pure-eval: 0.2.2 py-cpuinfo: 9.0.0 pycollada: 0.8 pydicom: 2.4.4 pygments: 2.17.2 pynmrstar: 3.3.4 pynrrd: 1.0.0 PyOpenGL: 3.1.7 PyOpenGL-accelerate: 3.1.7 pyopenxr: 1.0.3401 pyparsing: 3.1.2 pyproject-hooks: 1.1.0 PyQt6-commercial: 6.6.1 PyQt6-Qt6: 6.6.3 PyQt6-sip: 13.6.0 PyQt6-WebEngine-commercial: 6.6.0 PyQt6-WebEngine-Qt6: 6.6.3 python-dateutil: 2.9.0.post0 pytz: 2024.1 pywin32: 306 pyzmq: 26.0.3 qtconsole: 5.5.1 QtPy: 2.4.1 RandomWords: 0.4.0 requests: 2.31.0 scipy: 1.13.0 setuptools: 69.5.1 sfftk-rw: 0.8.1 six: 1.16.0 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.5 sphinx: 7.2.6 sphinx-autodoc-typehints: 2.0.1 sphinxcontrib-applehelp: 1.0.8 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 1.0.6 sphinxcontrib-htmlhelp: 2.0.5 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.7 sphinxcontrib-serializinghtml: 1.1.10 stack-data: 0.6.3 superqt: 0.6.3 tables: 3.8.0 tcia-utils: 1.5.1 tifffile: 2024.1.30 tinyarray: 1.2.4 tornado: 6.4 traitlets: 5.14.2 typing-extensions: 4.11.0 tzdata: 2024.1 urllib3: 2.2.1 wcwidth: 0.2.13 webcolors: 1.13 wheel: 0.43.0 wheel-filename: 1.4.1 widgetsnbextension: 4.0.10 WMI: 1.5.1 }}} " defect accepted normal Core chimera-programmers all ChimeraX