7NS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | B05 | sing | 1.42Å | 1.42Å | |
| B05 | C04 | sing | 1.57Å | 1.63Å | |
| C14 | C13 | sing | 1.55Å | 1.34Å | |
| C14 | N10 | sing | 1.48Å | 1.60Å | |
| C08 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.55Å | 1.53Å | |
| N10 | C09 | sing | 1.40Å | 1.43Å | |
| N10 | C11 | sing | 1.47Å | 1.31Å | |
| C09 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.54Å | 1.57Å | |
| C15 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | BR | sing | 1.89Å | 1.92Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| B05 | H2 | sing | 1.17Å | 1.20Å | |
| O06 | H3 | sing | 0.97Å | 0.95Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | B05 | C04 | 120.7° | 120.0° |
| O06 | B05 | H2 | 119.6° | 120.0° |
| B05 | O06 | H3 | 109.5° | 114.0° |
| B05 | C04 | C08 | 119.2° | 120.1° |
| B05 | C04 | C03 | 118.1° | 120.1° |
| C04 | B05 | H2 | 119.6° | 120.0° |
| C13 | C14 | N10 | 106.4° | 104.8° |
| C14 | C13 | C12 | 105.5° | 101.6° |
| C14 | C13 | H9 | 110.5° | 111.0° |
| C14 | C13 | H10 | 110.4° | 111.1° |
| C13 | C14 | H11 | 110.2° | 110.3° |
| C13 | C14 | H12 | 110.2° | 110.4° |
| C14 | N10 | C09 | 126.9° | 111.0° |
| C14 | N10 | C11 | 106.2° | 108.6° |
| N10 | C14 | H11 | 110.2° | 110.4° |
| N10 | C14 | H12 | 110.2° | 110.4° |
| C04 | C08 | C09 | 118.6° | 119.8° |
| C08 | C04 | C03 | 122.7° | 119.8° |
| C04 | C08 | H4 | 120.7° | 120.1° |
| C08 | C09 | N10 | 119.9° | 120.0° |
| C08 | C09 | C15 | 119.3° | 119.9° |
| C09 | C08 | H4 | 120.7° | 120.0° |
| C04 | C03 | C02 | 118.4° | 120.0° |
| C04 | C03 | H1 | 120.8° | 119.9° |
| C13 | C12 | C11 | 105.5° | 103.0° |
| C13 | C12 | H7 | 110.5° | 110.7° |
| C13 | C12 | H8 | 110.5° | 110.8° |
| C12 | C13 | H9 | 110.4° | 111.0° |
| C12 | C13 | H10 | 110.5° | 111.0° |
| C09 | N10 | C11 | 125.5° | 111.0° |
| N10 | C09 | C15 | 120.8° | 120.0° |
| N10 | C11 | C12 | 106.5° | 107.2° |
| N10 | C11 | H5 | 110.2° | 109.9° |
| N10 | C11 | H6 | 110.2° | 109.9° |
| C09 | C15 | C02 | 121.6° | 120.2° |
| C09 | C15 | H13 | 119.2° | 120.0° |
| C03 | C02 | C15 | 119.4° | 120.2° |
| C03 | C02 | BR | 118.1° | 119.9° |
| C02 | C03 | H1 | 120.8° | 120.1° |
| C12 | C11 | H5 | 110.2° | 109.9° |
| C12 | C11 | H6 | 110.2° | 110.0° |
| C11 | C12 | H7 | 110.5° | 110.7° |
| C11 | C12 | H8 | 110.4° | 110.7° |
| C15 | C02 | BR | 122.4° | 120.0° |
| C02 | C15 | H13 | 119.2° | 119.8° |
| H5 | C11 | H6 | 109.5° | 110.0° |
| H7 | C12 | H8 | 109.5° | 110.6° |
| H9 | C13 | H10 | 109.5° | 110.9° |
| H11 | C14 | H12 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | B05 | C04 | H2 | 180.0° | 180.0° |
| O06 | B05 | C04 | C08 | 48.1° | 180.0° |
| O06 | B05 | C04 | C03 | 132.3° | 0.0° |
| B05 | C04 | C08 | C03 | 179.6° | 179.9° |
| B05 | C04 | C08 | C09 | 179.1° | 180.0° |
| B05 | C04 | C03 | C02 | 179.8° | 180.0° |
| B05 | C04 | C03 | H1 | 0.3° | 0.1° |
| C04 | B05 | O06 | H3 | 180.0° | 180.0° |
| B05 | C04 | C08 | H4 | 0.9° | 0.1° |
| C13 | C14 | N10 | H11 | 119.5° | 118.8° |
| C13 | C14 | N10 | H12 | 119.5° | 118.9° |
| C14 | C13 | C12 | H9 | 119.4° | 118.1° |
| C14 | C13 | C12 | H10 | 119.4° | 118.2° |
| C13 | C14 | N10 | C09 | 159.1° | 146.4° |
| C13 | C14 | N10 | C11 | 33.5° | 24.1° |
| C14 | C13 | C12 | C11 | 13.6° | 35.6° |
| C14 | C13 | C12 | H7 | 105.8° | 154.1° |
| C14 | C13 | C12 | H8 | 133.0° | 82.8° |
| C14 | C13 | H9 | H10 | 121.8° | 123.9° |
| C13 | C14 | H11 | H12 | 121.4° | 122.3° |
| C14 | N10 | C09 | C08 | 7.3° | 23.0° |
| N10 | C14 | C13 | C12 | 26.6° | 37.0° |
| C14 | N10 | C09 | C11 | 165.0° | 120.9° |
| C14 | N10 | C09 | C15 | 172.1° | 157.3° |
| C14 | N10 | C11 | C12 | 22.9° | 1.0° |
| C14 | N10 | C11 | H5 | 142.5° | 120.3° |
| C14 | N10 | C11 | H6 | 96.6° | 118.5° |
| N10 | C14 | C13 | H9 | 145.9° | 81.0° |
| N10 | C14 | C13 | H10 | 92.8° | 155.2° |
| N10 | C14 | H11 | H12 | 121.4° | 122.3° |
| C04 | C08 | C09 | H4 | 180.0° | 179.9° |
| C04 | C08 | C09 | N10 | 179.3° | 180.0° |
| C04 | C08 | C09 | C15 | 0.1° | 0.3° |
| C08 | C04 | C03 | C02 | 0.2° | 0.0° |
| C08 | C04 | C03 | H1 | 179.8° | 180.0° |
| C08 | C04 | B05 | H2 | 131.9° | 0.1° |
| C09 | C08 | C04 | C03 | 0.5° | 0.1° |
| C08 | C09 | N10 | C15 | 179.4° | 179.7° |
| C08 | C09 | N10 | C11 | 172.3° | 143.8° |
| C08 | C09 | C15 | C02 | 1.0° | 0.5° |
| C08 | C09 | C15 | H13 | 179.0° | 180.0° |
| C04 | C03 | C02 | H1 | 180.0° | 179.9° |
| C04 | C03 | C02 | C15 | 1.2° | 0.3° |
| C04 | C03 | C02 | BR | 179.7° | 180.0° |
| C03 | C04 | B05 | H2 | 47.7° | 180.0° |
| C03 | C04 | C08 | H4 | 179.5° | 179.9° |
| C13 | C12 | C11 | N10 | 8.0° | 22.3° |
| C13 | C12 | C11 | H7 | 119.4° | 118.4° |
| C13 | C12 | C11 | H8 | 119.4° | 118.5° |
| C13 | C12 | C11 | H5 | 127.5° | 97.1° |
| C13 | C12 | C11 | H6 | 111.6° | 141.7° |
| C13 | C12 | H7 | H8 | 121.8° | 123.2° |
| C12 | C13 | H9 | H10 | 121.8° | 123.8° |
| C12 | C13 | C14 | H11 | 146.1° | 81.8° |
| C12 | C13 | C14 | H12 | 93.0° | 155.9° |
| C09 | N10 | C11 | C12 | 169.5° | 123.3° |
| N10 | C09 | C15 | C02 | 179.6° | 179.7° |
| N10 | C09 | C08 | H4 | 0.7° | 0.1° |
| C09 | N10 | C11 | H5 | 50.0° | 117.4° |
| C09 | N10 | C11 | H6 | 70.9° | 3.8° |
| C09 | N10 | C14 | H11 | 39.6° | 27.6° |
| C09 | N10 | C14 | H12 | 81.4° | 94.8° |
| N10 | C09 | C15 | H13 | 0.4° | 0.2° |
| C11 | N10 | C09 | C15 | 7.1° | 36.4° |
| N10 | C11 | C12 | H5 | 119.5° | 119.4° |
| N10 | C11 | C12 | H6 | 119.5° | 119.4° |
| N10 | C11 | H5 | H6 | 121.4° | 121.1° |
| N10 | C11 | C12 | H7 | 127.4° | 140.7° |
| N10 | C11 | C12 | H8 | 111.4° | 96.3° |
| C11 | N10 | C14 | H11 | 153.1° | 94.7° |
| C11 | N10 | C14 | H12 | 86.0° | 142.9° |
| C09 | C15 | C02 | C03 | 1.6° | 0.5° |
| C09 | C15 | C02 | H13 | 180.0° | 179.5° |
| C09 | C15 | C02 | BR | 179.3° | 179.8° |
| C15 | C09 | C08 | H4 | 179.9° | 179.8° |
| C03 | C02 | C15 | BR | 179.1° | 179.7° |
| C03 | C02 | C15 | H13 | 178.4° | 180.0° |
| C12 | C11 | H5 | H6 | 121.4° | 121.2° |
| C11 | C12 | H7 | H8 | 121.8° | 123.1° |
| C11 | C12 | C13 | H9 | 133.0° | 82.4° |
| C11 | C12 | C13 | H10 | 105.7° | 153.8° |
| C15 | C02 | C03 | H1 | 178.8° | 179.8° |
| BR | C02 | C03 | H1 | 0.3° | 0.1° |
| BR | C02 | C15 | H13 | 0.7° | 0.3° |
| H2 | B05 | O06 | H3 | 0.0° | 0.1° |
| H5 | C11 | C12 | H7 | 113.1° | 21.3° |
| H5 | C11 | C12 | H8 | 8.2° | 144.4° |
| H6 | C11 | C12 | H7 | 7.8° | 99.9° |
| H6 | C11 | C12 | H8 | 129.1° | 23.2° |
| H7 | C12 | C13 | H9 | 13.6° | 36.0° |
| H7 | C12 | C13 | H10 | 134.9° | 87.8° |
| H8 | C12 | C13 | H9 | 107.7° | 159.1° |
| H8 | C12 | C13 | H10 | 13.6° | 35.3° |
| H9 | C13 | C14 | H11 | 94.6° | 160.2° |
| H9 | C13 | C14 | H12 | 26.4° | 37.9° |
| H10 | C13 | C14 | H11 | 26.7° | 36.4° |
| H10 | C13 | C14 | H12 | 147.7° | 86.0° |
