7-(1-ethyl-propyl)-7h-pyrrolo-[3,2-f]quinazoline-1,3-diamine (GW3) Summary
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- 7-(1-ethyl-propyl)-7h-pyrrolo-[3,2-f]quinazoline-1,3-diamine (GW3) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.2-C3.3-N4.43-2-1-0 C1.4-C2.3-C3.2-N4.1 | -5.333 | Rigid Ring |
| 2 | C1.1-C2.2-C3.3-N7.76-2-1-0 C1.7-C2.3-C3.2-N7.1 | 176.191 | Rigid |
| 3 | C1.1-C2.2-C13.11-C12.109-10-1-0 C1.10-C2.11-C13.2-C12.1 | 2.336 | Rigid Ring |
| 4 | C1.1-C2.2-C13.11-C14.1211-10-1-0 C1.12-C2.11-C13.2-C14.1 | -179.202 | Rigid Ring |
| 5 | C1.1-N6.6-C5.5-N4.43-4-5-0 C1.4-N6.5-C5.6-N4.1 | -1.096 | Rigid Ring |
| 6 | C1.1-N6.6-C5.5-N19.1514-4-5-0 C1.15-N6.5-C5.6-N19.1 | 178.422 | Rigid |
| 7 | C1.1-C8.8-C9.9-C12.109-8-7-0 C1.10-C8.9-C9.8-C12.1 | -0.404 | Rigid Ring |
| 8 | C2.2-C1.1-N6.6-C5.54-5-0-1 C2.5-C1.6-N6.1-C5.2 | -2.211 | Rigid Ring |
| 9 | C2.2-C1.1-C8.8-C9.98-7-0-1 C2.9-C1.8-C8.1-C9.2 | 4.156 | Rigid Ring |
| 10 | C2.2-C3.3-N4.4-C5.54-3-2-1 C2.5-C3.4-N4.3-C5.2 | 2.318 | Rigid Ring |
| 11 | C2.2-C13.11-C12.10-C9.98-9-10-1 C2.9-C13.10-C12.11-C9.2 | 1.189 | Rigid Ring |
| 12 | C2.2-C13.11-C12.10-N16.1413-9-10-1 C2.14-C13.10-C12.11-N16.2 | 177.628 | Rigid Ring |
| 13 | C2.2-C13.11-C14.12-C15.1312-11-10-1 C2.13-C13.12-C14.11-C15.2 | -179.293 | Rigid Ring |
| 14 | C3.3-C2.2-C13.11-C12.109-10-1-2 C3.10-C2.11-C13.2-C12.3 | 179.006 | Rigid Ring |
| 15 | C3.3-C2.2-C13.11-C14.1211-10-1-2 C3.12-C2.11-C13.2-C14.3 | -2.532 | Rigid Ring |
| 16 | C3.3-N4.4-C5.5-N6.65-4-3-2 C3.6-N4.5-C5.4-N6.3 | 0.965 | Rigid Ring |
| 17 | C3.3-N4.4-C5.5-N19.1514-4-3-2 C3.15-N4.5-C5.4-N19.3 | -178.515 | Rigid |
| 18 | N4.4-C3.3-C2.2-C13.1110-1-2-3 N4.11-C3.2-C2.3-C13.4 | 177.918 | Rigid Ring |
| 19 | C5.5-N4.4-C3.3-N7.76-2-3-4 C5.7-N4.3-C3.4-N7.5 | -179.112 | Rigid |
| 20 | N6.6-C1.1-C2.2-C3.32-1-0-5 N6.3-C1.2-C2.1-C3.6 | 5.076 | Rigid Ring |
| 21 | N6.6-C1.1-C2.2-C13.1110-1-0-5 N6.11-C1.2-C2.1-C13.6 | -177.886 | Rigid Ring |
| 22 | N6.6-C1.1-C8.8-C9.98-7-0-5 N6.9-C1.8-C8.1-C9.6 | 177.11 | Rigid Ring |
| 23 | N7.7-C3.3-C2.2-C13.1110-1-2-6 N7.11-C3.2-C2.3-C13.7 | -0.558 | Rigid |
| 24 | C8.8-C1.1-C2.2-C3.32-1-0-7 C8.3-C1.2-C2.1-C3.8 | 177.934 | Rigid Ring |
| 25 | C8.8-C1.1-C2.2-C13.1110-1-0-7 C8.11-C1.2-C2.1-C13.8 | -5.028 | Rigid Ring |
| 26 | C8.8-C1.1-N6.6-C5.54-5-0-7 C8.5-C1.6-N6.1-C5.8 | -175.261 | Rigid Ring |
| 27 | C8.8-C9.9-C12.10-C13.1110-9-8-7 C8.11-C9.10-C12.9-C13.8 | -2.138 | Rigid Ring |
| 28 | C8.8-C9.9-C12.10-N16.1413-9-8-7 C8.14-C9.10-C12.9-N16.8 | -177.611 | Rigid Ring |
| 29 | C9.9-C12.10-C13.11-C14.1211-10-9-8 C9.12-C12.11-C13.10-C14.9 | -177.713 | Rigid Ring |
| 30 | C9.9-C12.10-N16.14-C15.1312-13-9-8 C9.13-C12.14-N16.10-C15.9 | 178.488 | Rigid Ring |
| 31 | C9.9-C12.10-N16.14-C25.1615-13-9-8 C9.16-C12.14-N16.10-C25.9 | -4.634 | Rigid |
| 32 | C12.10-C13.11-C14.12-C15.1312-11-10-9 C12.13-C13.12-C14.11-C15.10 | -0.606 | Rigid Ring |
| 33 | C12.10-N16.14-C15.13-C14.1211-12-13-9 C12.12-N16.13-C15.14-C14.10 | -3.343 | Rigid Ring |
| 34 | C12.10-N16.14-C25.16-C27.1716-15-13-9 C12.17-N16.16-C25.14-C27.10 | -124.098 | Flexible |
| 35 | C12.10-N16.14-C25.16-C34.1918-15-13-9 C12.19-N16.16-C25.14-C34.10 | 110.644 | Flexible |
| 36 | C13.11-C12.10-N16.14-C15.1312-13-9-10 C13.13-C12.14-N16.10-C15.11 | 2.852 | Rigid Ring |
| 37 | C13.11-C12.10-N16.14-C25.1615-13-9-10 C13.16-C12.14-N16.10-C25.11 | 179.73 | Rigid |
| 38 | C13.11-C14.12-C15.13-N16.1413-12-11-10 C13.14-C14.13-C15.12-N16.11 | 2.349 | Rigid Ring |
| 39 | C14.12-C13.11-C12.10-N16.1413-9-10-11 C14.14-C13.10-C12.11-N16.12 | -1.274 | Rigid Ring |
| 40 | C14.12-C15.13-N16.14-C25.1615-13-12-11 C14.16-C15.14-N16.13-C25.12 | 179.506 | Rigid |
| 41 | C15.13-N16.14-C25.16-C27.1716-15-13-12 C15.17-N16.16-C25.14-C27.13 | 52.508 | Flexible |
| 42 | C15.13-N16.14-C25.16-C34.1918-15-13-12 C15.19-N16.16-C25.14-C34.13 | -72.749 | Flexible |
| 43 | N16.14-C25.16-C27.17-C30.1817-16-15-13 N16.18-C25.17-C27.16-C30.14 | 44.564 | Flexible |
| 44 | N16.14-C25.16-C34.19-C37.2019-18-15-13 N16.20-C25.19-C34.16-C37.14 | -62.857 | Flexible |
| 45 | C27.17-C25.16-C34.19-C37.2019-18-15-16 C27.20-C25.19-C34.16-C37.17 | 169.916 | Flexible |
| 46 | C30.18-C27.17-C25.16-C34.1918-15-16-17 C30.19-C27.16-C25.17-C34.18 | 168.8 | Flexible |
Dihedrals Histogram