NO6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N15 | C11 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| O14 | C12 | doub | 1.21Å | 1.25Å | |
| C12 | O13 | sing | 1.34Å | 1.25Å | |
| C10 | S9 | sing | 1.81Å | 1.76Å | |
| S9 | C8 | sing | 1.81Å | 1.76Å | |
| C8 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| N15 | H10 | sing | 1.01Å | 1.00Å | |
| N15 | H11 | sing | 1.01Å | 1.00Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | C11 | C12 | 109.9° | 109.4° |
| N15 | C11 | C10 | 109.8° | 109.5° |
| N15 | C11 | H1 | 109.2° | 109.5° |
| C11 | N15 | H10 | 109.5° | 111.0° |
| C11 | N15 | H11 | 109.5° | 110.9° |
| C12 | C11 | C10 | 110.5° | 109.4° |
| C11 | C12 | O14 | 118.8° | 120.0° |
| C11 | C12 | O13 | 118.2° | 120.0° |
| C12 | C11 | H1 | 108.9° | 109.5° |
| C11 | C10 | S9 | 112.0° | 109.5° |
| C10 | C11 | H1 | 108.5° | 109.5° |
| C11 | C10 | H6 | 108.8° | 109.5° |
| C11 | C10 | H7 | 108.8° | 109.5° |
| O14 | C12 | O13 | 123.0° | 120.0° |
| C12 | O13 | H13 | 109.5° | 117.0° |
| C10 | S9 | C8 | 109.4° | 103.0° |
| S9 | C10 | H6 | 108.8° | 109.5° |
| S9 | C10 | H7 | 108.8° | 109.5° |
| S9 | C8 | C3 | 109.3° | 109.4° |
| S9 | C8 | H4 | 109.5° | 109.5° |
| S9 | C8 | H5 | 109.6° | 109.5° |
| C8 | C3 | N2 | 119.7° | 119.6° |
| C8 | C3 | C4 | 119.9° | 119.7° |
| C3 | C8 | H4 | 109.5° | 109.4° |
| C3 | C8 | H5 | 109.5° | 109.5° |
| N2 | C3 | C4 | 120.4° | 120.8° |
| C3 | N2 | C1 | 121.1° | 121.7° |
| C3 | C4 | C5 | 119.2° | 119.2° |
| C3 | C4 | H9 | 120.4° | 120.4° |
| N2 | C1 | C6 | 120.6° | 120.7° |
| N2 | C1 | H8 | 119.7° | 119.6° |
| C4 | C5 | C6 | 119.1° | 118.4° |
| C4 | C5 | H2 | 120.4° | 120.8° |
| C5 | C4 | H9 | 120.4° | 120.4° |
| C1 | C6 | C5 | 119.6° | 119.2° |
| C1 | C6 | H3 | 120.2° | 120.4° |
| C6 | C1 | H8 | 119.7° | 119.7° |
| C6 | C5 | H2 | 120.5° | 120.8° |
| C5 | C6 | H3 | 120.2° | 120.5° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.4° |
| H10 | N15 | H11 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C11 | C12 | C10 | 121.3° | 120.0° |
| N15 | C11 | C12 | H1 | 119.6° | 120.0° |
| N15 | C11 | C10 | H1 | 119.2° | 120.1° |
| N15 | C11 | C12 | O14 | 29.9° | 19.9° |
| N15 | C11 | C12 | O13 | 150.2° | 160.0° |
| N15 | C11 | C10 | S9 | 62.5° | 60.0° |
| N15 | C11 | C10 | H6 | 177.2° | 60.0° |
| N15 | C11 | C10 | H7 | 57.9° | 179.9° |
| C11 | N15 | H10 | H11 | 120.0° | 123.9° |
| C12 | C11 | C10 | H1 | 119.3° | 120.0° |
| C11 | C12 | O14 | O13 | 179.9° | 179.9° |
| C12 | C11 | C10 | S9 | 58.9° | 180.0° |
| C12 | C11 | C10 | H6 | 61.4° | 60.0° |
| C12 | C11 | C10 | H7 | 179.3° | 60.0° |
| C12 | C11 | N15 | H10 | 180.0° | 60.0° |
| C12 | C11 | N15 | H11 | 60.0° | 176.1° |
| C11 | C12 | O13 | H13 | 179.9° | 180.0° |
| C10 | C11 | C12 | O14 | 91.4° | 100.0° |
| C10 | C11 | C12 | O13 | 88.5° | 80.0° |
| C11 | C10 | S9 | H6 | 120.4° | 120.0° |
| C11 | C10 | S9 | H7 | 120.4° | 120.1° |
| C11 | C10 | S9 | C8 | 110.4° | 180.0° |
| C11 | C10 | H6 | H7 | 118.9° | 120.0° |
| C10 | C11 | N15 | H10 | 58.2° | 60.0° |
| C10 | C11 | N15 | H11 | 178.2° | 64.0° |
| O14 | C12 | C11 | H1 | 149.4° | 140.0° |
| O14 | C12 | O13 | H13 | 0.0° | 0.0° |
| O13 | C12 | C11 | H1 | 30.6° | 40.0° |
| C10 | S9 | C8 | C3 | 145.0° | 180.0° |
| S9 | C10 | C11 | H1 | 178.3° | 60.1° |
| C10 | S9 | C8 | H4 | 95.1° | 60.0° |
| C10 | S9 | C8 | H5 | 25.0° | 60.0° |
| S9 | C10 | H6 | H7 | 118.8° | 120.0° |
| S9 | C8 | C3 | H4 | 120.0° | 120.0° |
| S9 | C8 | C3 | H5 | 120.0° | 120.0° |
| S9 | C8 | C3 | N2 | 104.0° | 90.0° |
| S9 | C8 | C3 | C4 | 75.6° | 90.0° |
| S9 | C8 | H4 | H5 | 120.1° | 120.1° |
| C8 | S9 | C10 | H6 | 9.9° | 60.0° |
| C8 | S9 | C10 | H7 | 129.2° | 60.0° |
| C8 | C3 | N2 | C4 | 179.6° | 180.0° |
| C8 | C3 | N2 | C1 | 179.8° | 180.0° |
| C8 | C3 | C4 | C5 | 179.7° | 180.0° |
| C3 | C8 | H4 | H5 | 120.1° | 120.0° |
| C8 | C3 | C4 | H9 | 0.3° | 0.0° |
| N2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | N2 | C1 | C6 | 0.0° | 0.0° |
| N2 | C3 | C8 | H4 | 16.0° | 150.0° |
| N2 | C3 | C8 | H5 | 136.0° | 30.0° |
| C3 | N2 | C1 | H8 | 180.0° | 180.0° |
| N2 | C3 | C4 | H9 | 179.9° | 180.0° |
| C4 | C3 | N2 | C1 | 0.2° | 0.0° |
| C3 | C4 | C5 | H9 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H2 | 179.9° | 180.0° |
| C4 | C3 | C8 | H4 | 164.4° | 30.0° |
| C4 | C3 | C8 | H5 | 44.4° | 150.0° |
| N2 | C1 | C6 | H8 | 180.0° | 179.9° |
| N2 | C1 | C6 | C5 | 0.2° | 0.1° |
| N2 | C1 | C6 | H3 | 179.8° | 179.9° |
| C4 | C5 | C6 | C1 | 0.3° | 0.1° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | H3 | 179.7° | 180.0° |
| C1 | C6 | C5 | H3 | 180.0° | 180.0° |
| C1 | C6 | C5 | H2 | 179.7° | 179.9° |
| C5 | C6 | C1 | H8 | 179.8° | 180.0° |
| C6 | C5 | C4 | H9 | 179.9° | 180.0° |
| H1 | C11 | C10 | H6 | 57.9° | 179.9° |
| H1 | C11 | C10 | H7 | 61.4° | 60.0° |
| H1 | C11 | N15 | H10 | 60.6° | 180.0° |
| H1 | C11 | N15 | H11 | 59.4° | 56.1° |
| H2 | C5 | C6 | H3 | 0.3° | 0.0° |
| H2 | C5 | C4 | H9 | 0.1° | 0.0° |
| H3 | C6 | C1 | H8 | 0.2° | 0.0° |
