7RD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N1 | doub | 1.12Å | 1.14Å | |
| N1 | N | doub | 1.12Å | 1.22Å | |
| N | C12 | sing | 1.46Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.41Å | 1.49Å | |
| C8 | C13 | doub | 1.32Å | 1.35Å | |
| C7 | O | doub | 1.22Å | 1.20Å | |
| C7 | S | sing | 1.77Å | 1.76Å | |
| S | C5 | sing | 1.82Å | 1.85Å | |
| C13 | O1 | sing | 1.35Å | 1.31Å | |
| C13 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C5 | C4 | sing | 1.51Å | 1.49Å | |
| C4 | C2 | doub | 1.33Å | 1.33Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.47Å | 1.44Å | |
| C1 | C | doub | 1.33Å | 1.30Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C6 | H63C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C3 | H33C | sing | 1.09Å | 1.10Å | |
| C1 | HA | sing | 1.08Å | 1.08Å | |
| C | HC1 | sing | 1.08Å | 1.08Å | |
| C | HC2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N1 | N | 172.4° | 180.0° |
| N1 | N | C12 | 115.6° | 120.0° |
| N | C12 | C11 | 103.5° | 109.5° |
| N | C12 | H121 | 111.0° | 109.5° |
| N | C12 | H122 | 110.9° | 109.5° |
| C12 | C11 | C10 | 112.4° | 109.5° |
| C11 | C12 | H121 | 110.9° | 109.5° |
| C11 | C12 | H122 | 110.9° | 109.5° |
| C12 | C11 | H111 | 108.7° | 109.5° |
| C12 | C11 | H112 | 108.7° | 109.5° |
| C11 | C10 | C9 | 111.4° | 109.4° |
| C10 | C11 | H111 | 108.7° | 109.5° |
| C10 | C11 | H112 | 108.7° | 109.4° |
| C11 | C10 | H101 | 109.0° | 109.5° |
| C11 | C10 | H102 | 109.0° | 109.5° |
| C10 | C9 | C8 | 113.7° | 109.5° |
| C9 | C10 | H101 | 109.0° | 109.5° |
| C9 | C10 | H102 | 109.0° | 109.5° |
| C10 | C9 | H91C | 108.4° | 109.5° |
| C10 | C9 | H92C | 108.4° | 109.5° |
| C9 | C8 | C7 | 122.3° | 120.3° |
| C9 | C8 | C13 | 123.5° | 120.3° |
| C8 | C9 | H91C | 108.4° | 109.4° |
| C8 | C9 | H92C | 108.4° | 109.5° |
| C7 | C8 | C13 | 114.1° | 119.4° |
| C8 | C7 | O | 130.8° | 126.4° |
| C8 | C7 | S | 107.3° | 107.1° |
| C8 | C13 | O1 | 125.9° | 122.7° |
| C8 | C13 | C5 | 119.8° | 114.8° |
| O | C7 | S | 121.6° | 126.4° |
| C7 | S | C5 | 97.3° | 94.7° |
| S | C5 | C13 | 101.0° | 104.1° |
| S | C5 | C6 | 104.5° | 110.5° |
| S | C5 | C4 | 113.2° | 110.5° |
| O1 | C13 | C5 | 114.3° | 122.6° |
| C13 | O1 | H1 | 109.5° | 117.0° |
| C13 | C5 | C6 | 108.5° | 110.3° |
| C13 | C5 | C4 | 110.6° | 110.7° |
| C6 | C5 | C4 | 117.6° | 110.6° |
| C5 | C6 | H61C | 109.5° | 109.5° |
| C5 | C6 | H62C | 109.5° | 109.5° |
| C5 | C6 | H63C | 109.5° | 109.5° |
| C5 | C4 | C2 | 128.6° | 120.0° |
| C5 | C4 | H4 | 115.7° | 120.0° |
| C4 | C2 | C3 | 122.1° | 120.0° |
| C4 | C2 | C1 | 121.7° | 120.0° |
| C2 | C4 | H4 | 115.7° | 120.0° |
| C3 | C2 | C1 | 116.2° | 120.0° |
| C2 | C3 | H31C | 109.5° | 109.5° |
| C2 | C3 | H32C | 109.5° | 109.4° |
| C2 | C3 | H33C | 109.5° | 109.5° |
| C2 | C1 | C | 128.0° | 119.9° |
| C2 | C1 | HA | 116.0° | 120.0° |
| C | C1 | HA | 116.0° | 120.0° |
| C1 | C | HC1 | 120.0° | 120.0° |
| C1 | C | HC2 | 120.0° | 119.9° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.4° | 109.5° |
| H61C | C6 | H63C | 109.5° | 109.4° |
| H62C | C6 | H63C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H31C | C3 | H33C | 109.5° | 109.5° |
| H32C | C3 | H33C | 109.4° | 109.5° |
| HC1 | C | HC2 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | N1 | N | C12 | 15.8° | 90.0° |
| N1 | N | C12 | C11 | 151.2° | 120.0° |
| N1 | N | C12 | H121 | 89.8° | 120.0° |
| N1 | N | C12 | H122 | 32.2° | 0.1° |
| N | C12 | C11 | H121 | 119.0° | 120.0° |
| N | C12 | C11 | H122 | 119.0° | 120.1° |
| N | C12 | C11 | C10 | 174.1° | 180.0° |
| N | C12 | H121 | H122 | 122.8° | 120.0° |
| N | C12 | C11 | H111 | 65.4° | 60.0° |
| N | C12 | C11 | H112 | 53.7° | 60.0° |
| C12 | C11 | C10 | H111 | 120.4° | 120.0° |
| C12 | C11 | C10 | H112 | 120.5° | 120.0° |
| C12 | C11 | C10 | C9 | 48.8° | 180.0° |
| C11 | C12 | H121 | H122 | 122.8° | 120.0° |
| C12 | C11 | H111 | H112 | 118.6° | 120.0° |
| C12 | C11 | C10 | H101 | 71.5° | 60.0° |
| C12 | C11 | C10 | H102 | 169.1° | 60.0° |
| C11 | C10 | C9 | H101 | 120.3° | 120.0° |
| C11 | C10 | C9 | H102 | 120.3° | 120.0° |
| C11 | C10 | C9 | C8 | 77.0° | 180.0° |
| C10 | C11 | C12 | H121 | 55.1° | 60.0° |
| C10 | C11 | C12 | H122 | 66.8° | 60.0° |
| C10 | C11 | H111 | H112 | 118.7° | 120.0° |
| C11 | C10 | H101 | H102 | 119.1° | 120.0° |
| C11 | C10 | C9 | H91C | 43.6° | 60.1° |
| C11 | C10 | C9 | H92C | 162.4° | 60.0° |
| C10 | C9 | C8 | H91C | 120.6° | 120.0° |
| C10 | C9 | C8 | H92C | 120.6° | 120.1° |
| C10 | C9 | C8 | C7 | 111.5° | 85.0° |
| C10 | C9 | C8 | C13 | 73.7° | 94.7° |
| C9 | C10 | C11 | H111 | 169.3° | 60.0° |
| C9 | C10 | C11 | H112 | 71.6° | 60.0° |
| C9 | C10 | H101 | H102 | 119.1° | 120.0° |
| C10 | C9 | H91C | H92C | 118.1° | 120.1° |
| C9 | C8 | C7 | C13 | 175.2° | 179.8° |
| C9 | C8 | C7 | O | 1.3° | 0.1° |
| C9 | C8 | C7 | S | 175.3° | 180.0° |
| C9 | C8 | C13 | O1 | 8.0° | 0.0° |
| C9 | C8 | C13 | C5 | 169.9° | 179.8° |
| C8 | C9 | C10 | H101 | 162.7° | 60.0° |
| C8 | C9 | C10 | H102 | 43.3° | 60.0° |
| C8 | C9 | H91C | H92C | 118.1° | 119.9° |
| C8 | C7 | O | S | 173.4° | 179.9° |
| C8 | C7 | S | C5 | 3.9° | 0.0° |
| C7 | C8 | C13 | O1 | 176.9° | 179.7° |
| C7 | C8 | C13 | C5 | 5.3° | 0.4° |
| C7 | C8 | C9 | H91C | 9.1° | 155.0° |
| C7 | C8 | C9 | H92C | 127.8° | 35.1° |
| C13 | C8 | C7 | O | 174.0° | 179.7° |
| C13 | C8 | C7 | S | 0.1° | 0.2° |
| C8 | C13 | C5 | S | 7.5° | 0.4° |
| C8 | C13 | O1 | C5 | 177.9° | 179.8° |
| C8 | C13 | C5 | C6 | 102.0° | 118.9° |
| C8 | C13 | C5 | C4 | 127.7° | 118.3° |
| C13 | C8 | C9 | H91C | 165.7° | 25.2° |
| C13 | C8 | C9 | H92C | 46.9° | 145.2° |
| C8 | C13 | O1 | H1 | 180.0° | 0.1° |
| O | C7 | S | C5 | 170.8° | 180.0° |
| C7 | S | C5 | C13 | 6.1° | 0.2° |
| C7 | S | C5 | C6 | 106.5° | 118.7° |
| C7 | S | C5 | C4 | 124.3° | 118.6° |
| S | C5 | C13 | O1 | 174.4° | 179.8° |
| S | C5 | C13 | C6 | 109.5° | 118.5° |
| S | C5 | C13 | C4 | 120.1° | 118.7° |
| S | C5 | C6 | C4 | 126.5° | 122.6° |
| S | C5 | C4 | C2 | 63.5° | 38.5° |
| S | C5 | C6 | H61C | 180.0° | 58.6° |
| S | C5 | C6 | H62C | 60.0° | 178.5° |
| S | C5 | C6 | H63C | 60.0° | 61.4° |
| S | C5 | C4 | H4 | 116.5° | 141.5° |
| O1 | C13 | C5 | C6 | 76.1° | 61.2° |
| O1 | C13 | C5 | C4 | 54.3° | 61.5° |
| C13 | C5 | C6 | C4 | 126.4° | 122.8° |
| C13 | C5 | C4 | C2 | 176.0° | 76.2° |
| C5 | C13 | O1 | H1 | 2.1° | 179.8° |
| C13 | C5 | C6 | H61C | 72.9° | 56.0° |
| C13 | C5 | C6 | H62C | 167.1° | 64.0° |
| C13 | C5 | C6 | H63C | 47.1° | 175.9° |
| C13 | C5 | C4 | H4 | 4.0° | 103.7° |
| C6 | C5 | C4 | C2 | 58.6° | 161.2° |
| C5 | C6 | H61C | H62C | 120.0° | 120.0° |
| C5 | C6 | H61C | H63C | 120.0° | 120.0° |
| C5 | C6 | H62C | H63C | 120.0° | 120.0° |
| C6 | C5 | C4 | H4 | 121.4° | 18.9° |
| C5 | C4 | C2 | H4 | 180.0° | 180.0° |
| C5 | C4 | C2 | C3 | 4.2° | 8.2° |
| C5 | C4 | C2 | C1 | 178.6° | 171.8° |
| C4 | C5 | C6 | H61C | 53.5° | 178.8° |
| C4 | C5 | C6 | H62C | 66.5° | 58.8° |
| C4 | C5 | C6 | H63C | 173.5° | 61.2° |
| C4 | C2 | C3 | C1 | 177.4° | 180.0° |
| C4 | C2 | C1 | C | 178.7° | 180.0° |
| C4 | C2 | C3 | H31C | 180.0° | 84.6° |
| C4 | C2 | C3 | H32C | 60.0° | 155.4° |
| C4 | C2 | C3 | H33C | 60.0° | 35.4° |
| C4 | C2 | C1 | HA | 1.4° | 0.0° |
| C3 | C2 | C1 | C | 1.3° | 0.0° |
| C3 | C2 | C4 | H4 | 175.9° | 171.8° |
| C2 | C3 | H31C | H32C | 120.0° | 119.9° |
| C2 | C3 | H31C | H33C | 120.0° | 120.0° |
| C2 | C3 | H32C | H33C | 120.0° | 120.0° |
| C3 | C2 | C1 | HA | 178.7° | 180.0° |
| C2 | C1 | C | HA | 180.0° | 180.0° |
| C1 | C2 | C4 | H4 | 1.4° | 8.2° |
| C1 | C2 | C3 | H31C | 2.6° | 95.4° |
| C1 | C2 | C3 | H32C | 117.4° | 24.6° |
| C1 | C2 | C3 | H33C | 122.7° | 144.6° |
| C2 | C1 | C | HC1 | 180.0° | 0.0° |
| C2 | C1 | C | HC2 | 0.0° | 180.0° |
| C1 | C | HC1 | HC2 | 180.0° | 180.0° |
| H121 | C12 | C11 | H111 | 175.5° | 180.0° |
| H121 | C12 | C11 | H112 | 65.4° | 60.0° |
| H122 | C12 | C11 | H111 | 53.6° | 60.1° |
| H122 | C12 | C11 | H112 | 172.7° | 179.9° |
| H111 | C11 | C10 | H101 | 49.0° | 180.0° |
| H111 | C11 | C10 | H102 | 70.5° | 60.0° |
| H112 | C11 | C10 | H101 | 168.1° | 60.0° |
| H112 | C11 | C10 | H102 | 48.6° | 179.9° |
| H101 | C10 | C9 | H91C | 76.7° | 180.0° |
| H101 | C10 | C9 | H92C | 42.1° | 60.0° |
| H102 | C10 | C9 | H91C | 163.9° | 59.9° |
| H102 | C10 | C9 | H92C | 77.3° | 180.0° |
| H61C | C6 | H62C | H63C | 120.0° | 120.0° |
| H31C | C3 | H32C | H33C | 120.0° | 120.1° |
| HA | C1 | C | HC1 | 0.0° | 180.0° |
| HA | C1 | C | HC2 | 180.0° | 0.0° |
