(6r,21as)-17-chloro-6-cyclohexyl-2,3,6,7,10,11,19,20-octahydro-1h,5h-pyrrolo[1,2-k][1,4,8,11,14]benzoxatetraaza-cycloheptadecine-5,8,12,21(9h,13h,21ah)-tetrone (T76) Summary
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- (6r,21as)-17-chloro-6-cyclohexyl-2,3,6,7,10,11,19,20-octahydro-1h,5h-pyrrolo[1,2-k][1,4,8,11,14]benzoxatetraaza-cycloheptadecine-5,8,12,21(9h,13h,21ah)-tetrone (T76) 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 | -4.323 | Rigid Ring |
| 2 | C1.1-C2.2-O12.12-C43.2726-11-1-0 C1.27-C2.12-O12.2-C43.1 | 176.052 | Flexible Ring |
| 3 | C1.1-C6.6-C5.5-C4.43-4-5-0 C1.4-C6.5-C5.6-C4.1 | -2.754 | Rigid Ring |
| 4 | C1.1-C6.6-C5.5-CL68.3534-4-5-0 C1.35-C6.5-C5.6-CL68.1 | 175.485 | Rigid |
| 5 | C1.1-C7.7-N8.8-C9.98-7-6-0 C1.9-C7.8-N8.7-C9.1 | 108.36 | Flexible Ring |
| 6 | C2.2-C1.1-C6.6-C5.54-5-0-1 C2.5-C1.6-C6.1-C5.2 | -2.91 | Rigid Ring |
| 7 | C2.2-C1.1-C7.7-N8.87-6-0-1 C2.8-C1.7-C7.1-N8.2 | -102.241 | Flexible Ring |
| 8 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | -1.358 | Rigid Ring |
| 9 | C2.2-O12.12-C43.27-C41.2524-26-11-1 C2.25-O12.27-C43.12-C41.2 | -167.316 | Flexible Ring |
| 10 | C3.3-C2.2-O12.12-C43.2726-11-1-2 C3.27-C2.12-O12.2-C43.3 | -0.672 | Flexible Ring |
| 11 | C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 | 4.839 | Rigid Ring |
| 12 | C3.3-C4.4-C5.5-CL68.3534-4-3-2 C3.35-C4.5-C5.4-CL68.3 | -173.426 | Rigid |
| 13 | C4.4-C3.3-C2.2-O12.1211-1-2-3 C4.12-C3.2-C2.3-O12.4 | 172.318 | Rigid Ring |
| 14 | C6.6-C1.1-C2.2-C3.32-1-0-5 C6.3-C1.2-C2.1-C3.6 | 6.426 | Rigid Ring |
| 15 | C6.6-C1.1-C2.2-O12.1211-1-0-5 C6.12-C1.2-C2.1-O12.6 | -170.303 | Rigid Ring |
| 16 | C6.6-C1.1-C7.7-N8.87-6-0-5 C6.8-C1.7-C7.1-N8.6 | 80.716 | Flexible Ring |
| 17 | C7.7-C1.1-C2.2-C3.32-1-0-6 C7.3-C1.2-C2.1-C3.7 | -170.656 | Rigid Ring |
| 18 | C7.7-C1.1-C2.2-O12.1211-1-0-6 C7.12-C1.2-C2.1-O12.7 | 12.616 | Rigid Ring |
| 19 | C7.7-C1.1-C6.6-C5.54-5-0-6 C7.5-C1.6-C6.1-C5.7 | 174.132 | Rigid Ring |
| 20 | C7.7-N8.8-C9.9-C10.109-8-7-6 C7.10-N8.9-C9.8-C10.7 | 176.749 | Rigid Ring |
| 21 | C7.7-N8.8-C9.9-O11.1110-8-7-6 C7.11-N8.9-C9.8-O11.7 | -7.856 | Rigid |
| 22 | N8.8-C9.9-C10.10-C18.1312-9-8-7 N8.13-C9.10-C10.9-C18.8 | -113.507 | Flexible Ring |
| 23 | N8.8-C9.9-C10.10-N21.1615-9-8-7 N8.16-C9.10-C10.9-N21.8 | 136.295 | Flexible Ring |
| 24 | C9.9-C10.10-C18.13-C19.1413-12-9-8 C9.14-C10.13-C18.10-C19.9 | -152.983 | Flexible Ring |
| 25 | C9.9-C10.10-N21.16-C20.1514-15-9-8 C9.15-C10.16-N21.10-C20.9 | 132.509 | Rigid Ring |
| 26 | C9.9-C10.10-N21.16-C29.1716-15-9-8 C9.17-C10.16-N21.10-C29.9 | -48.119 | Rigid Ring |
| 27 | C10.10-C18.13-C19.14-C20.1514-13-12-9 C10.15-C18.14-C19.13-C20.10 | 41.783 | Flexible Ring |
| 28 | C10.10-N21.16-C20.15-C19.1413-14-15-9 C10.14-N21.15-C20.16-C19.10 | 9.983 | Rigid Ring |
| 29 | C10.10-N21.16-C29.17-C30.1817-16-15-9 C10.18-N21.17-C29.16-C30.10 | 177.482 | Rigid Ring |
| 30 | C10.10-N21.16-C29.17-O44.2827-16-15-9 C10.28-N21.17-C29.16-O44.10 | 3.939 | Rigid |
| 31 | O11.11-C9.9-C10.10-C18.1312-9-8-10 O11.13-C9.10-C10.9-C18.11 | 70.786 | Flexible |
| 32 | O11.11-C9.9-C10.10-N21.1615-9-8-10 O11.16-C9.10-C10.9-N21.11 | -39.412 | Flexible |
| 33 | O12.12-C43.27-C41.25-N38.2423-24-26-11 O12.24-C43.25-C41.27-N38.12 | 15.987 | Flexible Ring |
| 34 | O12.12-C43.27-C41.25-O42.2625-24-26-11 O12.26-C43.25-C41.27-O42.12 | -164.614 | Flexible |
| 35 | C18.13-C10.10-N21.16-C20.1514-15-9-12 C18.15-C10.16-N21.10-C20.13 | 15.725 | Rigid Ring |
| 36 | C18.13-C10.10-N21.16-C29.1716-15-9-12 C18.17-C10.16-N21.10-C29.13 | -164.904 | Rigid Ring |
| 37 | C18.13-C19.14-C20.15-N21.1615-14-13-12 C18.16-C19.15-C20.14-N21.13 | -31.181 | Flexible Ring |
| 38 | C19.14-C18.13-C10.10-N21.1615-9-12-13 C19.16-C18.10-C10.13-N21.14 | -35.458 | Flexible Ring |
| 39 | C19.14-C20.15-N21.16-C29.1716-15-14-13 C19.17-C20.16-N21.15-C29.14 | -169.339 | Flexible Ring |
| 40 | C20.15-N21.16-C29.17-C30.1817-16-15-14 C20.18-N21.17-C29.16-C30.15 | -3.235 | Rigid Ring |
| 41 | C20.15-N21.16-C29.17-O44.2827-16-15-14 C20.28-N21.17-C29.16-O44.15 | -176.778 | Rigid |
| 42 | N21.16-C29.17-C30.18-N31.1918-17-16-15 N21.19-C29.18-C30.17-N31.16 | -123.429 | Flexible Ring |
| 43 | N21.16-C29.17-C30.18-C45.2928-17-16-15 N21.29-C29.18-C30.17-C45.16 | 114.873 | Flexible |
| 44 | C29.17-C30.18-N31.19-C32.2019-18-17-16 C29.20-C30.19-N31.18-C32.17 | 87.52 | Flexible Ring |
| 45 | C29.17-C30.18-C45.29-C47.3029-28-17-16 C29.30-C30.29-C45.18-C47.17 | 168.46 | Flexible |
| 46 | C29.17-C30.18-C45.29-C51.3433-28-17-16 C29.34-C30.29-C45.18-C51.17 | -67.854 | Flexible |
| 47 | C30.18-N31.19-C32.20-O33.2120-19-18-17 C30.21-N31.20-C32.19-O33.18 | 14.585 | Rigid |
| 48 | C30.18-N31.19-C32.20-C34.2221-19-18-17 C30.22-N31.20-C32.19-C34.18 | -161.001 | Rigid Ring |
| 49 | C30.18-C45.29-C47.30-C48.3130-29-28-17 C30.31-C45.30-C47.29-C48.18 | 179.13 | Rigid |
| 50 | C30.18-C45.29-C51.34-C50.3332-33-28-17 C30.33-C45.34-C51.29-C50.18 | 179.522 | Rigid |
| 51 | N31.19-C30.18-C29.17-O44.2827-16-17-18 N31.28-C30.17-C29.18-O44.19 | 50.4 | Flexible |
| 52 | N31.19-C30.18-C45.29-C47.3029-28-17-18 N31.30-C30.29-C45.18-C47.19 | 48.343 | Flexible |
| 53 | N31.19-C30.18-C45.29-C51.3433-28-17-18 N31.34-C30.29-C45.18-C51.19 | 172.029 | Flexible |
| 54 | N31.19-C32.20-C34.22-C35.2322-21-19-18 N31.23-C32.22-C34.20-C35.19 | 112.381 | Flexible Ring |
| 55 | C32.20-N31.19-C30.18-C45.2928-17-18-19 C32.29-N31.18-C30.19-C45.20 | -152.579 | Flexible |
| 56 | C32.20-C34.22-C35.23-N38.2423-22-21-19 C32.24-C34.23-C35.22-N38.20 | -79.268 | Flexible Ring |
| 57 | O33.21-C32.20-C34.22-C35.2322-21-19-20 O33.23-C32.22-C34.20-C35.21 | -63.354 | Flexible |
| 58 | C34.22-C35.23-N38.24-C41.2524-23-22-21 C34.25-C35.24-N38.23-C41.22 | -88.059 | Flexible Ring |
| 59 | C35.23-N38.24-C41.25-O42.2625-24-23-22 C35.26-N38.25-C41.24-O42.23 | -1.024 | Rigid |
| 60 | C35.23-N38.24-C41.25-C43.2726-24-23-22 C35.27-N38.25-C41.24-C43.23 | 178.353 | Rigid Ring |
| 61 | O44.28-C29.17-C30.18-C45.2928-17-16-27 O44.29-C29.18-C30.17-C45.28 | -71.298 | Flexible |
| 62 | C45.29-C47.30-C48.31-C49.3231-30-29-28 C45.32-C47.31-C48.30-C49.29 | -57.498 | Rigid Ring |
| 63 | C45.29-C51.34-C50.33-C49.3231-32-33-28 C45.32-C51.33-C50.34-C49.29 | 56.708 | Rigid Ring |
| 64 | C47.30-C45.29-C51.34-C50.3332-33-28-29 C47.33-C45.34-C51.29-C50.30 | -55.956 | Rigid Ring |
| 65 | C47.30-C48.31-C49.32-C50.3332-31-30-29 C47.33-C48.32-C49.31-C50.30 | 58.543 | Rigid Ring |
| 66 | C48.31-C47.30-C45.29-C51.3433-28-29-30 C48.34-C47.29-C45.30-C51.31 | 56.162 | Rigid Ring |
| 67 | C48.31-C49.32-C50.33-C51.3433-32-31-30 C48.34-C49.33-C50.32-C51.31 | -58.015 | Rigid Ring |
Dihedrals Histogram