Cocaine (COC) Summary
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- Cocaine (COC) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-O5.2-C6.3-O7.43-2-1-0 C1.4-O5.3-C6.2-O7.1 | 25.215 | Rigid |
| 2 | C1.1-O5.2-C6.3-C8.54-2-1-0 C1.5-O5.3-C6.2-C8.1 | -154.704 | Rigid |
| 3 | O5.2-C6.3-C8.5-C10.65-4-2-1 O5.6-C6.5-C8.3-C10.2 | -139.692 | Flexible |
| 4 | O5.2-C6.3-C8.5-C29.1312-4-2-1 O5.13-C6.5-C8.3-C29.2 | 101.031 | Flexible |
| 5 | C6.3-C8.5-C10.6-N12.76-5-4-2 C6.7-C8.6-C10.5-N12.3 | -58.083 | Rigid |
| 6 | C6.3-C8.5-C10.6-C18.98-5-4-2 C6.9-C8.6-C10.5-C18.3 | -175.539 | Rigid |
| 7 | C6.3-C8.5-C29.13-C26.1211-12-4-2 C6.12-C8.13-C29.5-C26.3 | 72.786 | Rigid |
| 8 | C6.3-C8.5-C29.13-O1.1413-12-4-2 C6.14-C8.13-C29.5-O1.3 | -51.589 | Rigid |
| 9 | O7.4-C6.3-C8.5-C10.65-4-2-3 O7.6-C6.5-C8.3-C10.4 | 40.394 | Flexible |
| 10 | O7.4-C6.3-C8.5-C29.1312-4-2-3 O7.13-C6.5-C8.3-C29.4 | -78.883 | Flexible |
| 11 | C8.5-C10.6-N12.7-C14.87-6-5-4 C8.8-C10.7-N12.6-C14.5 | 161.241 | Rigid |
| 12 | C8.5-C10.6-N12.7-C24.1110-6-5-4 C8.11-C10.7-N12.6-C24.5 | -78.468 | Rigid Ring |
| 13 | C8.5-C10.6-C18.9-C21.109-8-5-4 C8.10-C10.9-C18.6-C21.5 | 91.594 | Rigid Ring |
| 14 | C8.5-C29.13-C26.12-C24.1110-11-12-4 C8.11-C29.12-C26.13-C24.5 | 47.222 | Rigid Ring |
| 15 | C8.5-C29.13-O1.14-C2.1514-13-12-4 C8.15-C29.14-O1.13-C2.5 | -73.057 | Flexible |
| 16 | C10.6-C8.5-C29.13-C26.1211-12-4-5 C10.12-C8.13-C29.5-C26.6 | -48.09 | Rigid Ring |
| 17 | C10.6-C8.5-C29.13-O1.1413-12-4-5 C10.14-C8.13-C29.5-O1.6 | -172.465 | Rigid |
| 18 | C10.6-N12.7-C24.11-C21.109-10-6-5 C10.10-N12.11-C24.7-C21.6 | -44.819 | Rigid Ring |
| 19 | C10.6-N12.7-C24.11-C26.1211-10-6-5 C10.12-N12.11-C24.7-C26.6 | 74.709 | Rigid Ring |
| 20 | C10.6-C18.9-C21.10-C24.1110-9-8-5 C10.11-C18.10-C21.9-C24.6 | -0.748 | Rigid Ring |
| 21 | N12.7-C10.6-C8.5-C29.1312-4-5-6 N12.13-C10.5-C8.6-C29.7 | 65.456 | Rigid Ring |
| 22 | N12.7-C10.6-C18.9-C21.109-8-5-6 N12.10-C10.9-C18.6-C21.7 | -26.922 | Rigid Ring |
| 23 | N12.7-C24.11-C21.10-C18.98-9-10-6 N12.9-C24.10-C21.11-C18.7 | 28.215 | Rigid Ring |
| 24 | N12.7-C24.11-C26.12-C29.1312-11-10-6 N12.13-C24.12-C26.11-C29.7 | -61.085 | Rigid Ring |
| 25 | C14.8-N12.7-C10.6-C18.98-5-6-7 C14.9-N12.6-C10.7-C18.8 | -76.064 | Rigid |
| 26 | C14.8-N12.7-C24.11-C21.109-10-6-7 C14.10-N12.11-C24.7-C21.8 | 75.789 | Rigid |
| 27 | C14.8-N12.7-C24.11-C26.1211-10-6-7 C14.12-N12.11-C24.7-C26.8 | -164.683 | Rigid |
| 28 | C18.9-C10.6-C8.5-C29.1312-4-5-8 C18.13-C10.5-C8.6-C29.9 | -51.999 | Rigid Ring |
| 29 | C18.9-C10.6-N12.7-C24.1110-6-5-8 C18.11-C10.7-N12.6-C24.9 | 44.227 | Rigid Ring |
| 30 | C18.9-C21.10-C24.11-C26.1211-10-9-8 C18.12-C21.11-C24.10-C26.9 | -88.51 | Rigid Ring |
| 31 | C21.10-C24.11-C26.12-C29.1312-11-10-9 C21.13-C24.12-C26.11-C29.10 | 54.716 | Rigid Ring |
| 32 | C24.11-C26.12-C29.13-O1.1413-12-11-10 C24.14-C26.13-C29.12-O1.11 | 170.966 | Rigid |
| 33 | C26.12-C29.13-O1.14-C2.1514-13-12-11 C26.15-C29.14-O1.13-C2.12 | 161.903 | Flexible |
| 34 | C29.13-O1.14-C2.15-O3.1615-14-13-12 C29.16-O1.15-C2.14-O3.13 | -15.642 | Rigid |
| 35 | C29.13-O1.14-C2.15-C4.1716-14-13-12 C29.17-O1.15-C2.14-C4.13 | 164.338 | Rigid |
| 36 | O1.14-C2.15-C4.17-C5.1817-16-14-13 O1.18-C2.17-C4.15-C5.14 | -175.759 | Flexible |
| 37 | O1.14-C2.15-C4.17-C13.2221-16-14-13 O1.22-C2.17-C4.15-C13.14 | 4.176 | Flexible |
| 38 | C2.15-C4.17-C5.18-C7.1918-17-16-14 C2.19-C4.18-C5.17-C7.15 | 179.921 | Rigid |
| 39 | C2.15-C4.17-C13.22-C11.2120-21-16-14 C2.21-C4.22-C13.17-C11.15 | -179.833 | Rigid |
| 40 | O3.16-C2.15-C4.17-C5.1817-16-14-15 O3.18-C2.17-C4.15-C5.16 | 4.221 | Flexible |
| 41 | O3.16-C2.15-C4.17-C13.2221-16-14-15 O3.22-C2.17-C4.15-C13.16 | -175.844 | Flexible |
| 42 | C4.17-C5.18-C7.19-C9.2019-18-17-16 C4.20-C5.19-C7.18-C9.17 | -0.097 | Rigid Ring |
| 43 | C4.17-C13.22-C11.21-C9.2019-20-21-16 C4.20-C13.21-C11.22-C9.17 | -0.077 | Rigid Ring |
| 44 | C5.18-C4.17-C13.22-C11.2120-21-16-17 C5.21-C4.22-C13.17-C11.18 | 0.102 | Rigid Ring |
| 45 | C5.18-C7.19-C9.20-C11.2120-19-18-17 C5.21-C7.20-C9.19-C11.18 | 0.124 | Rigid Ring |
| 46 | C7.19-C5.18-C4.17-C13.2221-16-17-18 C7.22-C5.17-C4.18-C13.19 | -0.016 | Rigid Ring |
| 47 | C7.19-C9.20-C11.21-C13.2221-20-19-18 C7.22-C9.21-C11.20-C13.19 | -0.037 | Rigid Ring |
Dihedrals Histogram