32V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C4 | doub | 1.22Å | 1.36Å | |
| S1 | C1 | sing | 1.76Å | 1.75Å | Aromatic |
| S1 | C6 | sing | 1.70Å | 1.70Å | Aromatic |
| C4 | C1 | sing | 1.41Å | 1.42Å | |
| C4 | N1 | sing | 1.35Å | 1.36Å | |
| C9 | N1 | sing | 1.46Å | 1.47Å | |
| C9 | C13 | sing | 1.53Å | 1.50Å | |
| C1 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.36Å | 1.42Å | |
| C6 | C5 | doub | 1.34Å | 1.40Å | Aromatic |
| C3 | C5 | sing | 1.45Å | 1.38Å | Aromatic |
| C3 | N2 | sing | 1.36Å | 1.40Å | |
| C2 | N2 | doub | 1.31Å | 1.40Å | |
| C2 | N3 | sing | 1.37Å | 1.43Å | |
| C11 | C15 | sing | 1.55Å | 1.51Å | |
| C11 | C10 | sing | 1.54Å | 1.50Å | |
| C5 | C7 | sing | 1.43Å | 1.51Å | |
| N3 | C10 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | trip | 1.17Å | 1.26Å | |
| C15 | C14 | sing | 1.55Å | 1.49Å | |
| C10 | C12 | sing | 1.54Å | 1.50Å | |
| C14 | C12 | sing | 1.54Å | 1.51Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C8 | H3 | sing | 1.05Å | 1.06Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C4 | C1 | 123.6° | 120.6° |
| O1 | C4 | N1 | 117.5° | 120.6° |
| C1 | S1 | C6 | 91.5° | 92.8° |
| S1 | C1 | C4 | 128.3° | 131.1° |
| S1 | C1 | C3 | 109.9° | 109.9° |
| S1 | C6 | C5 | 112.4° | 112.0° |
| S1 | C6 | H1 | 123.8° | 124.0° |
| C1 | C4 | N1 | 118.9° | 118.8° |
| C4 | C1 | C3 | 121.8° | 118.9° |
| C4 | N1 | C9 | 121.7° | 120.0° |
| C4 | N1 | C2 | 118.8° | 120.0° |
| N1 | C9 | C13 | 108.5° | 109.5° |
| C9 | N1 | C2 | 119.4° | 120.0° |
| N1 | C9 | H4 | 109.7° | 109.5° |
| N1 | C9 | H5 | 109.7° | 109.4° |
| C13 | C9 | H4 | 109.7° | 109.5° |
| C13 | C9 | H5 | 109.7° | 109.5° |
| C9 | C13 | H11 | 109.5° | 109.5° |
| C9 | C13 | H12 | 109.5° | 109.5° |
| C9 | C13 | H13 | 109.5° | 109.5° |
| C1 | C3 | C5 | 113.9° | 111.2° |
| C1 | C3 | N2 | 120.2° | 118.8° |
| N1 | C2 | N2 | 123.0° | 121.8° |
| N1 | C2 | N3 | 117.9° | 119.1° |
| C6 | C5 | C3 | 112.3° | 114.1° |
| C6 | C5 | C7 | 124.7° | 122.9° |
| C5 | C6 | H1 | 123.8° | 124.0° |
| C5 | C3 | N2 | 125.8° | 130.0° |
| C3 | C5 | C7 | 123.0° | 123.0° |
| C3 | N2 | C2 | 117.1° | 121.5° |
| N2 | C2 | N3 | 119.1° | 119.1° |
| C2 | N3 | C10 | 117.1° | 120.0° |
| C2 | N3 | H2 | 121.4° | 120.0° |
| C15 | C11 | C10 | 100.8° | 104.2° |
| C11 | C15 | C14 | 105.6° | 102.8° |
| C15 | C11 | H7 | 111.6° | 110.5° |
| C15 | C11 | H8 | 111.6° | 110.5° |
| C11 | C15 | H16 | 110.4° | 110.7° |
| C11 | C15 | H17 | 110.5° | 110.7° |
| C11 | C10 | N3 | 110.4° | 110.0° |
| C11 | C10 | C12 | 105.7° | 106.6° |
| C11 | C10 | H6 | 109.7° | 110.1° |
| C10 | C11 | H7 | 111.6° | 110.5° |
| C10 | C11 | H8 | 111.6° | 110.5° |
| C5 | C7 | C8 | 177.4° | 180.0° |
| N3 | C10 | C12 | 111.3° | 110.0° |
| C10 | N3 | H2 | 121.4° | 120.0° |
| N3 | C10 | H6 | 110.0° | 110.0° |
| C7 | C8 | H3 | 180.0° | 179.9° |
| C15 | C14 | C12 | 107.4° | 104.2° |
| C15 | C14 | H14 | 110.0° | 110.5° |
| C15 | C14 | H15 | 110.0° | 110.6° |
| C14 | C15 | H16 | 110.4° | 110.8° |
| C14 | C15 | H17 | 110.4° | 110.7° |
| C10 | C12 | C14 | 103.7° | 106.6° |
| C12 | C10 | H6 | 109.7° | 110.1° |
| C10 | C12 | H9 | 110.9° | 110.0° |
| C10 | C12 | H10 | 110.9° | 110.0° |
| C14 | C12 | H9 | 110.9° | 110.0° |
| C14 | C12 | H10 | 110.9° | 110.1° |
| C12 | C14 | H14 | 110.0° | 110.5° |
| C12 | C14 | H15 | 110.0° | 110.5° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 110.5° |
| H9 | C12 | H10 | 109.5° | 110.0° |
| H11 | C13 | H12 | 109.4° | 109.4° |
| H11 | C13 | H13 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.4° | 110.4° |
| H16 | C15 | H17 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C4 | C1 | S1 | 1.2° | 0.4° |
| O1 | C4 | C1 | N1 | 177.2° | 179.9° |
| O1 | C4 | N1 | C9 | 2.8° | 0.1° |
| O1 | C4 | C1 | C3 | 178.1° | 180.0° |
| O1 | C4 | N1 | C2 | 179.2° | 180.0° |
| S1 | C1 | C4 | C3 | 176.9° | 179.6° |
| S1 | C1 | C4 | N1 | 176.0° | 179.7° |
| C1 | S1 | C6 | C5 | 1.9° | 0.2° |
| S1 | C1 | C3 | C5 | 3.5° | 0.3° |
| S1 | C1 | C3 | N2 | 179.5° | 179.7° |
| C1 | S1 | C6 | H1 | 178.0° | 180.0° |
| C6 | S1 | C1 | C4 | 179.7° | 179.7° |
| C6 | S1 | C1 | C3 | 3.1° | 0.0° |
| S1 | C6 | C5 | H1 | 180.0° | 179.8° |
| S1 | C6 | C5 | C3 | 0.3° | 0.4° |
| S1 | C6 | C5 | C7 | 179.6° | 180.0° |
| C1 | C4 | N1 | C9 | 179.9° | 180.0° |
| C1 | C4 | N1 | C2 | 3.4° | 0.0° |
| C4 | C1 | C3 | C5 | 179.0° | 180.0° |
| C4 | C1 | C3 | N2 | 2.0° | 0.0° |
| C4 | N1 | C9 | C2 | 176.4° | 180.0° |
| C4 | N1 | C9 | C13 | 93.9° | 90.0° |
| N1 | C4 | C1 | C3 | 1.0° | 0.0° |
| C4 | N1 | C2 | N2 | 3.2° | 0.0° |
| C4 | N1 | C2 | N3 | 178.6° | 180.0° |
| C4 | N1 | C9 | H4 | 146.2° | 29.9° |
| C4 | N1 | C9 | H5 | 25.9° | 149.9° |
| N1 | C9 | C13 | H4 | 119.9° | 120.0° |
| N1 | C9 | C13 | H5 | 119.8° | 120.0° |
| C9 | N1 | C2 | N2 | 179.8° | 179.9° |
| C9 | N1 | C2 | N3 | 2.0° | 0.1° |
| N1 | C9 | H4 | H5 | 120.4° | 120.0° |
| N1 | C9 | C13 | H11 | 180.0° | 60.0° |
| N1 | C9 | C13 | H12 | 60.0° | 60.0° |
| N1 | C9 | C13 | H13 | 60.0° | 180.0° |
| C13 | C9 | N1 | C2 | 82.5° | 90.0° |
| C13 | C9 | H4 | H5 | 120.4° | 120.0° |
| C9 | C13 | H11 | H12 | 120.0° | 120.0° |
| C9 | C13 | H11 | H13 | 120.0° | 120.0° |
| C9 | C13 | H12 | H13 | 120.0° | 120.1° |
| C1 | C3 | C5 | C6 | 2.1° | 0.4° |
| C1 | C3 | C5 | N2 | 176.8° | 180.0° |
| C1 | C3 | N2 | C2 | 2.3° | 0.0° |
| C1 | C3 | C5 | C7 | 177.2° | 179.9° |
| N1 | C2 | N2 | C3 | 0.3° | 0.1° |
| N1 | C2 | N2 | N3 | 178.2° | 180.0° |
| N1 | C2 | N3 | C10 | 173.4° | 180.0° |
| N1 | C2 | N3 | H2 | 6.6° | 0.0° |
| C2 | N1 | C9 | H4 | 37.3° | 150.0° |
| C2 | N1 | C9 | H5 | 157.6° | 30.0° |
| C6 | C5 | C3 | C7 | 179.3° | 179.6° |
| C6 | C5 | C3 | N2 | 179.0° | 179.5° |
| C6 | C5 | C7 | C8 | 9.9° | 73.5° |
| C5 | C3 | N2 | C2 | 178.9° | 180.0° |
| C3 | C5 | C7 | C8 | 170.8° | 106.1° |
| C3 | C5 | C6 | H1 | 179.7° | 179.8° |
| C3 | N2 | C2 | N3 | 178.5° | 180.0° |
| N2 | C3 | C5 | C7 | 0.4° | 0.1° |
| N2 | C2 | N3 | C10 | 4.9° | 0.0° |
| N2 | C2 | N3 | H2 | 175.2° | 180.0° |
| C2 | N3 | C10 | C11 | 90.8° | 87.9° |
| C2 | N3 | C10 | H2 | 180.0° | 180.0° |
| C2 | N3 | C10 | C12 | 152.3° | 155.0° |
| C2 | N3 | C10 | H6 | 30.5° | 33.6° |
| C15 | C11 | C10 | H7 | 118.6° | 118.7° |
| C15 | C11 | C10 | H8 | 118.6° | 118.7° |
| C15 | C11 | C10 | N3 | 161.7° | 95.6° |
| C11 | C15 | C14 | H16 | 119.4° | 118.3° |
| C11 | C15 | C14 | H17 | 119.4° | 118.3° |
| C15 | C11 | C10 | C12 | 41.3° | 23.6° |
| C11 | C15 | C14 | C12 | 17.2° | 37.9° |
| C15 | C11 | C10 | H6 | 76.9° | 142.9° |
| C15 | C11 | H7 | H8 | 124.1° | 122.6° |
| C11 | C15 | C14 | H14 | 136.9° | 156.7° |
| C11 | C15 | C14 | H15 | 102.5° | 80.8° |
| C11 | C15 | H16 | H17 | 121.8° | 123.3° |
| C11 | C10 | N3 | C12 | 117.0° | 117.1° |
| C11 | C10 | N3 | H6 | 121.3° | 121.4° |
| C10 | C11 | C15 | C14 | 35.4° | 37.9° |
| C11 | C10 | C12 | H6 | 118.2° | 119.3° |
| C11 | C10 | C12 | C14 | 31.2° | 0.0° |
| C11 | C10 | N3 | H2 | 89.2° | 92.1° |
| C10 | C11 | H7 | H8 | 124.0° | 122.6° |
| C11 | C10 | C12 | H9 | 87.9° | 119.3° |
| C11 | C10 | C12 | H10 | 150.3° | 119.4° |
| C10 | C11 | C15 | H16 | 83.9° | 156.3° |
| C10 | C11 | C15 | H17 | 154.8° | 80.4° |
| C7 | C5 | C6 | H1 | 0.4° | 0.2° |
| C5 | C7 | C8 | H3 | 163.2° | 93.3° |
| N3 | C10 | C12 | H6 | 122.0° | 121.4° |
| N3 | C10 | C12 | C14 | 151.0° | 119.2° |
| N3 | C10 | C11 | H7 | 43.1° | 145.6° |
| N3 | C10 | C11 | H8 | 79.8° | 23.1° |
| N3 | C10 | C12 | H9 | 31.9° | 0.0° |
| N3 | C10 | C12 | H10 | 89.9° | 121.4° |
| C15 | C14 | C12 | C10 | 8.3° | 23.6° |
| C15 | C14 | C12 | H14 | 119.7° | 118.7° |
| C15 | C14 | C12 | H15 | 119.7° | 118.8° |
| C14 | C15 | C11 | H7 | 83.1° | 80.8° |
| C14 | C15 | C11 | H8 | 154.0° | 156.6° |
| C15 | C14 | C12 | H9 | 110.8° | 95.7° |
| C15 | C14 | C12 | H10 | 127.4° | 142.9° |
| C15 | C14 | H14 | H15 | 120.9° | 122.6° |
| C14 | C15 | H16 | H17 | 121.8° | 123.4° |
| C10 | C12 | C14 | H9 | 119.1° | 119.2° |
| C10 | C12 | C14 | H10 | 119.1° | 119.3° |
| C12 | C10 | N3 | H2 | 27.7° | 25.0° |
| C12 | C10 | C11 | H7 | 77.3° | 95.1° |
| C12 | C10 | C11 | H8 | 159.9° | 142.3° |
| C10 | C12 | H9 | H10 | 122.7° | 121.4° |
| C10 | C12 | C14 | H14 | 111.4° | 142.3° |
| C10 | C12 | C14 | H15 | 128.0° | 95.2° |
| C14 | C12 | C10 | H6 | 87.0° | 119.3° |
| C14 | C12 | H9 | H10 | 122.7° | 121.5° |
| C12 | C14 | H14 | H15 | 121.0° | 122.6° |
| C12 | C14 | C15 | H16 | 102.2° | 156.2° |
| C12 | C14 | C15 | H17 | 136.6° | 80.4° |
| H2 | N3 | C10 | H6 | 149.5° | 146.4° |
| H4 | C9 | C13 | H11 | 60.1° | 180.0° |
| H4 | C9 | C13 | H12 | 179.9° | 60.0° |
| H4 | C9 | C13 | H13 | 59.9° | 60.0° |
| H5 | C9 | C13 | H11 | 60.2° | 60.0° |
| H5 | C9 | C13 | H12 | 59.8° | 179.9° |
| H5 | C9 | C13 | H13 | 179.8° | 60.0° |
| H6 | C10 | C11 | H7 | 164.5° | 24.2° |
| H6 | C10 | C11 | H8 | 41.7° | 98.4° |
| H6 | C10 | C12 | H9 | 153.9° | 121.4° |
| H6 | C10 | C12 | H10 | 32.0° | 0.0° |
| H7 | C11 | C15 | H16 | 157.5° | 37.6° |
| H7 | C11 | C15 | H17 | 36.3° | 160.9° |
| H8 | C11 | C15 | H16 | 34.6° | 85.0° |
| H8 | C11 | C15 | H17 | 86.6° | 38.3° |
| H9 | C12 | C14 | H14 | 129.5° | 23.0° |
| H9 | C12 | C14 | H15 | 8.9° | 145.5° |
| H10 | C12 | C14 | H14 | 7.7° | 98.4° |
| H10 | C12 | C14 | H15 | 112.9° | 24.1° |
| H11 | C13 | H12 | H13 | 120.0° | 119.9° |
| H14 | C14 | C15 | H16 | 17.5° | 85.0° |
| H14 | C14 | C15 | H17 | 103.7° | 38.4° |
| H15 | C14 | C15 | H16 | 138.1° | 37.5° |
| H15 | C14 | C15 | H17 | 16.9° | 160.9° |
