(4-benzyl-piperidin-1-yl)-(5-amidinomethyl-3ah-indol-2-yl-methanone (BPP) Summary
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- (4-benzyl-piperidin-1-yl)-(5-amidinomethyl-3ah-indol-2-yl-methanone (BPP) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.2-C3.3-C4.43-2-1-0 C1.4-C2.3-C3.2-C4.1 | -0.231 | Rigid Ring |
| 2 | C1.1-C2.2-C3.3-C10.76-2-1-0 C1.7-C2.3-C3.2-C10.1 | 179.145 | Rigid Ring |
| 3 | C1.1-C6.6-C5.5-C4.43-4-5-0 C1.4-C6.5-C5.6-C4.1 | 0.62 | Rigid Ring |
| 4 | C2.2-C1.1-C6.6-C5.54-5-0-1 C2.5-C1.6-C6.1-C5.2 | -0.693 | Rigid Ring |
| 5 | C2.2-C1.1-C13.10-N14.1110-9-0-1 C2.11-C1.10-C13.1-N14.2 | 149.523 | Rigid |
| 6 | C2.2-C1.1-C13.10-N15.1211-9-0-1 C2.12-C1.10-C13.1-N15.2 | -29.479 | Rigid |
| 7 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | 0.173 | Rigid Ring |
| 8 | C2.2-C3.3-C4.4-N12.98-3-2-1 C2.9-C3.4-C4.3-N12.2 | 179.214 | Rigid Ring |
| 9 | C2.2-C3.3-C10.7-C11.87-6-2-1 C2.8-C3.7-C10.3-C11.2 | -179.234 | Rigid Ring |
| 10 | C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 | -0.36 | Rigid Ring |
| 11 | C3.3-C4.4-N12.9-C11.87-8-3-2 C3.8-C4.9-N12.4-C11.3 | 0.315 | Rigid Ring |
| 12 | C3.3-C10.7-C11.8-N12.98-7-6-2 C3.9-C10.8-C11.7-N12.3 | -0.032 | Rigid Ring |
| 13 | C3.3-C10.7-C11.8-C17.1312-7-6-2 C3.13-C10.8-C11.7-C17.3 | 178.497 | Rigid |
| 14 | C4.4-C3.3-C10.7-C11.87-6-2-3 C4.8-C3.7-C10.3-C11.4 | 0.21 | Rigid Ring |
| 15 | C4.4-N12.9-C11.8-C10.76-7-8-3 C4.7-N12.8-C11.9-C10.4 | -0.178 | Rigid Ring |
| 16 | C4.4-N12.9-C11.8-C17.1312-7-8-3 C4.13-N12.8-C11.9-C17.4 | -178.824 | Rigid |
| 17 | C5.5-C4.4-C3.3-C10.76-2-3-4 C5.7-C4.3-C3.4-C10.5 | -179.361 | Rigid Ring |
| 18 | C5.5-C4.4-N12.9-C11.87-8-3-4 C5.8-C4.9-N12.4-C11.5 | 179.224 | Rigid Ring |
| 19 | C6.6-C1.1-C2.2-C3.32-1-0-5 C6.3-C1.2-C2.1-C3.6 | 0.487 | Rigid Ring |
| 20 | C6.6-C1.1-C13.10-N14.1110-9-0-5 C6.11-C1.10-C13.1-N14.6 | -29.448 | Rigid |
| 21 | C6.6-C1.1-C13.10-N15.1211-9-0-5 C6.12-C1.10-C13.1-N15.6 | 151.551 | Rigid |
| 22 | C6.6-C5.5-C4.4-N12.98-3-4-5 C6.9-C5.4-C4.5-N12.6 | -179.161 | Rigid Ring |
| 23 | C10.7-C3.3-C4.4-N12.98-3-2-6 C10.9-C3.4-C4.3-N12.7 | -0.32 | Rigid Ring |
| 24 | C10.7-C11.8-C17.13-O18.1413-12-7-6 C10.14-C11.13-C17.8-O18.7 | 83.342 | Flexible |
| 25 | C10.7-C11.8-C17.13-N19.1514-12-7-6 C10.15-C11.13-C17.8-N19.7 | -96.585 | Flexible |
| 26 | C11.8-C17.13-N19.15-C20.1615-14-12-7 C11.16-C17.15-N19.13-C20.8 | 179.454 | Flexible |
| 27 | C11.8-C17.13-N19.15-C24.2019-14-12-7 C11.20-C17.15-N19.13-C24.8 | 0.523 | Flexible |
| 28 | N12.9-C11.8-C17.13-O18.1413-12-7-8 N12.14-C11.13-C17.8-O18.9 | -98.36 | Flexible |
| 29 | N12.9-C11.8-C17.13-N19.1514-12-7-8 N12.15-C11.13-C17.8-N19.9 | 81.713 | Flexible |
| 30 | C13.10-C1.1-C2.2-C3.32-1-0-9 C13.3-C1.2-C2.1-C3.10 | -178.458 | Rigid |
| 31 | C13.10-C1.1-C6.6-C5.54-5-0-9 C13.5-C1.6-C6.1-C5.10 | 178.286 | Rigid |
| 32 | C17.13-N19.15-C20.16-C21.1716-15-14-12 C17.17-N19.16-C20.15-C21.13 | -107.862 | Flexible |
| 33 | C17.13-N19.15-C24.20-C23.1918-19-14-12 C17.19-N19.20-C24.15-C23.13 | 106.118 | Flexible |
| 34 | O18.14-C17.13-N19.15-C20.1615-14-12-13 O18.16-C17.15-N19.13-C20.14 | -0.476 | Flexible |
| 35 | O18.14-C17.13-N19.15-C24.2019-14-12-13 O18.20-C17.15-N19.13-C24.14 | -179.407 | Flexible |
| 36 | N19.15-C20.16-C21.17-C22.1817-16-15-14 N19.18-C20.17-C21.16-C22.15 | -57.882 | Flexible Ring |
| 37 | N19.15-C24.20-C23.19-C22.1817-18-19-14 N19.18-C24.19-C23.20-C22.15 | 59.966 | Flexible Ring |
| 38 | C20.16-N19.15-C24.20-C23.1918-19-14-15 C20.19-N19.20-C24.15-C23.16 | -72.908 | Flexible Ring |
| 39 | C20.16-C21.17-C22.18-C23.1918-17-16-15 C20.19-C21.18-C22.17-C23.16 | 54.486 | Flexible Ring |
| 40 | C20.16-C21.17-C22.18-C33.2120-17-16-15 C20.21-C21.18-C22.17-C33.16 | 177.494 | Flexible |
| 41 | C21.17-C20.16-N19.15-C24.2019-14-15-16 C21.20-C20.15-N19.16-C24.17 | 71.16 | Flexible Ring |
| 42 | C21.17-C22.18-C23.19-C24.2019-18-17-16 C21.20-C22.19-C23.18-C24.17 | -55.542 | Flexible Ring |
| 43 | C21.17-C22.18-C33.21-C35.2221-20-17-16 C21.22-C22.21-C33.18-C35.17 | 171.019 | Flexible |
| 44 | C22.18-C33.21-C35.22-C38.2322-21-20-17 C22.23-C33.22-C35.21-C38.18 | 98.924 | Flexible |
| 45 | C22.18-C33.21-C35.22-C42.2726-21-20-17 C22.27-C33.22-C35.21-C42.18 | -80.944 | Flexible |
| 46 | C23.19-C22.18-C33.21-C35.2221-20-17-18 C23.22-C22.21-C33.18-C35.19 | -64.615 | Flexible |
| 47 | C24.20-C23.19-C22.18-C33.2120-17-18-19 C24.21-C23.18-C22.19-C33.20 | 179.149 | Flexible |
| 48 | C33.21-C35.22-C38.23-C39.2423-22-21-20 C33.24-C35.23-C38.22-C39.21 | -179.742 | Rigid |
| 49 | C33.21-C35.22-C42.27-C41.2625-26-21-20 C33.26-C35.27-C42.22-C41.21 | 179.725 | Rigid |
| 50 | C35.22-C38.23-C39.24-C40.2524-23-22-21 C35.25-C38.24-C39.23-C40.22 | -0.045 | Rigid Ring |
| 51 | C35.22-C42.27-C41.26-C40.2524-25-26-21 C35.25-C42.26-C41.27-C40.22 | 0.084 | Rigid Ring |
| 52 | C38.23-C35.22-C42.27-C41.2625-26-21-22 C38.26-C35.27-C42.22-C41.23 | -0.147 | Rigid Ring |
| 53 | C38.23-C39.24-C40.25-C41.2625-24-23-22 C38.26-C39.25-C40.24-C41.23 | -0.022 | Rigid Ring |
| 54 | C39.24-C38.23-C35.22-C42.2726-21-22-23 C39.27-C38.22-C35.23-C42.24 | 0.128 | Rigid Ring |
| 55 | C39.24-C40.25-C41.26-C42.2726-25-24-23 C39.27-C40.26-C41.25-C42.24 | 0.003 | Rigid Ring |
Dihedrals Histogram