33V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C31 | doub | 1.21Å | 1.26Å | |
| C5 | N4 | sing | 1.39Å | 1.41Å | |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| N4 | C3 | sing | 1.47Å | 1.44Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | O8 | sing | 1.43Å | 1.38Å | |
| C6 | C61 | sing | 1.51Å | 1.54Å | |
| C31 | C3 | sing | 1.51Å | 1.55Å | |
| C31 | O33 | sing | 1.34Å | 1.26Å | |
| C3 | C2 | sing | 1.51Å | 1.54Å | |
| C67 | N64 | sing | 1.46Å | 1.49Å | |
| C67 | S68 | sing | 1.82Å | 1.65Å | |
| N63 | N64 | sing | 1.46Å | 1.24Å | |
| N63 | C62 | sing | 1.49Å | 1.62Å | |
| N64 | C65 | sing | 1.48Å | 1.54Å | |
| S68 | C69 | sing | 1.82Å | 1.61Å | |
| C61 | C62 | sing | 1.53Å | 1.55Å | |
| C61 | S1 | sing | 1.83Å | 1.79Å | |
| C62 | C66 | sing | 1.55Å | 1.34Å | |
| C2 | S1 | sing | 1.82Å | 1.78Å | |
| C65 | C66 | sing | 1.54Å | 1.47Å | |
| C65 | C70 | sing | 1.52Å | 1.62Å | |
| C69 | C70 | sing | 1.54Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N4 | H41 | sing | 1.01Å | 1.00Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| O8 | H81 | sing | 0.97Å | 0.95Å | |
| O33 | H5 | sing | 0.97Å | 0.95Å | |
| C61 | H13 | sing | 1.09Å | 1.10Å | |
| C62 | H14 | sing | 1.09Å | 1.10Å | |
| N63 | H15 | sing | 1.01Å | 1.00Å | |
| C65 | H16 | sing | 1.09Å | 1.10Å | |
| C66 | H17 | sing | 1.09Å | 1.10Å | |
| C66 | H18 | sing | 1.09Å | 1.10Å | |
| C67 | H20 | sing | 1.09Å | 1.10Å | |
| C67 | H19 | sing | 1.09Å | 1.10Å | |
| C69 | H21 | sing | 1.09Å | 1.10Å | |
| C69 | H22 | sing | 1.09Å | 1.10Å | |
| C70 | H23 | sing | 1.09Å | 1.10Å | |
| C70 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C31 | C3 | 118.2° | 120.0° |
| O32 | C31 | O33 | 122.7° | 120.0° |
| N4 | C5 | C6 | 111.2° | 113.0° |
| C5 | N4 | C3 | 116.0° | 115.3° |
| C5 | N4 | H41 | 107.8° | 111.0° |
| N4 | C5 | H7 | 109.0° | 108.8° |
| N4 | C5 | H6 | 109.0° | 108.8° |
| C5 | C6 | C7 | 104.5° | 109.6° |
| C5 | C6 | C61 | 119.9° | 109.2° |
| C6 | C5 | H7 | 109.0° | 108.8° |
| C6 | C5 | H6 | 109.0° | 108.8° |
| C5 | C6 | H8 | 106.0° | 109.5° |
| N4 | C3 | C31 | 108.3° | 109.8° |
| N4 | C3 | C2 | 120.4° | 107.9° |
| N4 | C3 | H3 | 107.6° | 109.7° |
| C3 | N4 | H41 | 107.8° | 111.0° |
| C6 | C7 | O8 | 123.9° | 109.5° |
| C7 | C6 | C61 | 113.7° | 109.5° |
| C7 | C6 | H8 | 106.0° | 109.5° |
| C6 | C7 | H9 | 105.8° | 109.5° |
| C6 | C7 | H72 | 105.8° | 109.5° |
| O8 | C7 | H9 | 105.8° | 109.5° |
| O8 | C7 | H72 | 105.8° | 109.5° |
| C7 | O8 | H81 | 109.5° | 114.0° |
| C6 | C61 | C62 | 106.7° | 109.1° |
| C6 | C61 | S1 | 111.8° | 111.1° |
| C61 | C6 | H8 | 105.7° | 109.5° |
| C6 | C61 | H13 | 110.3° | 109.1° |
| C3 | C31 | O33 | 119.1° | 120.0° |
| C31 | C3 | C2 | 106.9° | 109.8° |
| C31 | C3 | H3 | 106.3° | 109.8° |
| C31 | O33 | H5 | 109.5° | 117.0° |
| C3 | C2 | S1 | 118.5° | 110.5° |
| C3 | C2 | H2 | 107.2° | 109.3° |
| C3 | C2 | H1 | 107.2° | 109.1° |
| C2 | C3 | H3 | 106.5° | 109.8° |
| N64 | C67 | S68 | 102.9° | 107.9° |
| C67 | N64 | N63 | 98.8° | 113.9° |
| C67 | N64 | C65 | 110.7° | 110.0° |
| N64 | C67 | H20 | 111.1° | 109.8° |
| N64 | C67 | H19 | 111.1° | 109.8° |
| C67 | S68 | C69 | 114.6° | 102.5° |
| S68 | C67 | H20 | 111.1° | 109.8° |
| S68 | C67 | H19 | 111.1° | 109.8° |
| N64 | N63 | C62 | 91.4° | 105.1° |
| N63 | N64 | C65 | 100.2° | 104.2° |
| N64 | N63 | H15 | 113.8° | 111.0° |
| N63 | C62 | C61 | 114.8° | 110.2° |
| N63 | C62 | C66 | 106.8° | 105.7° |
| N63 | C62 | H14 | 105.9° | 110.3° |
| C62 | N63 | H15 | 113.8° | 110.9° |
| N64 | C65 | C66 | 98.0° | 103.3° |
| N64 | C65 | C70 | 109.5° | 109.4° |
| N64 | C65 | H16 | 109.4° | 110.4° |
| S68 | C69 | C70 | 121.4° | 109.1° |
| S68 | C69 | H21 | 106.4° | 109.5° |
| S68 | C69 | H22 | 106.4° | 109.5° |
| C62 | C61 | S1 | 110.7° | 109.2° |
| C61 | C62 | C66 | 112.9° | 110.2° |
| C62 | C61 | H13 | 110.1° | 109.2° |
| C61 | C62 | H14 | 106.7° | 110.2° |
| C61 | S1 | C2 | 107.9° | 104.2° |
| S1 | C61 | H13 | 107.3° | 109.1° |
| C62 | C66 | C65 | 102.5° | 104.1° |
| C66 | C62 | H14 | 109.4° | 110.2° |
| C62 | C66 | H17 | 111.2° | 110.5° |
| C62 | C66 | H18 | 111.2° | 110.5° |
| S1 | C2 | H2 | 107.2° | 109.3° |
| S1 | C2 | H1 | 107.1° | 109.3° |
| C66 | C65 | C70 | 120.3° | 112.1° |
| C66 | C65 | H16 | 110.4° | 110.4° |
| C65 | C66 | H17 | 111.2° | 110.6° |
| C65 | C66 | H18 | 111.1° | 110.6° |
| C65 | C70 | C69 | 114.9° | 108.6° |
| C70 | C65 | H16 | 108.5° | 111.0° |
| C65 | C70 | H23 | 108.1° | 109.6° |
| C65 | C70 | H24 | 108.1° | 109.6° |
| C70 | C69 | H21 | 106.4° | 109.6° |
| C70 | C69 | H22 | 106.4° | 109.6° |
| C69 | C70 | H23 | 108.1° | 109.6° |
| C69 | C70 | H24 | 108.1° | 109.6° |
| H2 | C2 | H1 | 109.5° | 109.3° |
| H7 | C5 | H6 | 109.5° | 108.6° |
| H9 | C7 | H72 | 109.5° | 109.5° |
| H17 | C66 | H18 | 109.5° | 110.5° |
| H20 | C67 | H19 | 109.4° | 109.8° |
| H21 | C69 | H22 | 109.5° | 109.6° |
| H23 | C70 | H24 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C31 | C3 | N4 | 21.0° | 18.5° |
| O32 | C31 | C3 | O33 | 179.7° | 180.0° |
| O32 | C31 | C3 | C2 | 152.2° | 100.0° |
| O32 | C31 | C3 | H3 | 94.4° | 139.2° |
| O32 | C31 | O33 | H5 | 0.0° | 0.1° |
| N4 | C5 | C6 | H7 | 120.2° | 120.9° |
| N4 | C5 | C6 | H6 | 120.2° | 120.9° |
| C5 | N4 | C3 | H41 | 120.9° | 127.3° |
| N4 | C5 | C6 | C7 | 162.3° | 156.1° |
| N4 | C5 | C6 | C61 | 68.8° | 84.0° |
| C5 | N4 | C3 | C31 | 178.4° | 151.5° |
| C5 | N4 | C3 | C2 | 58.2° | 88.9° |
| C5 | N4 | C3 | H3 | 63.9° | 30.7° |
| N4 | C5 | H7 | H6 | 119.2° | 118.3° |
| N4 | C5 | C6 | H8 | 50.6° | 35.9° |
| C6 | C5 | N4 | C3 | 98.3° | 66.1° |
| C5 | C6 | C7 | C61 | 132.5° | 119.7° |
| C5 | C6 | C7 | H8 | 111.7° | 120.2° |
| C5 | C6 | C7 | O8 | 146.1° | 61.9° |
| C5 | C6 | C61 | H8 | 119.5° | 119.9° |
| C5 | C6 | C61 | C62 | 106.0° | 144.9° |
| C5 | C6 | C61 | S1 | 15.1° | 94.6° |
| C6 | C5 | N4 | H41 | 22.6° | 61.2° |
| C6 | C5 | H7 | H6 | 119.2° | 118.3° |
| C5 | C6 | C7 | H9 | 24.1° | 178.1° |
| C5 | C6 | C7 | H72 | 92.0° | 58.1° |
| C5 | C6 | C61 | H13 | 134.4° | 25.7° |
| N4 | C3 | C31 | C2 | 131.2° | 118.5° |
| N4 | C3 | C31 | H3 | 115.4° | 120.7° |
| N4 | C3 | C31 | O33 | 159.3° | 161.5° |
| N4 | C3 | C2 | H3 | 122.6° | 119.5° |
| N4 | C3 | C2 | S1 | 40.6° | 96.7° |
| N4 | C3 | C2 | H2 | 80.7° | 143.0° |
| N4 | C3 | C2 | H1 | 161.9° | 23.5° |
| C3 | N4 | C5 | H7 | 21.9° | 54.8° |
| C3 | N4 | C5 | H6 | 141.4° | 172.9° |
| C6 | C7 | O8 | H9 | 121.9° | 120.0° |
| C6 | C7 | O8 | H72 | 122.0° | 120.0° |
| C7 | C6 | C61 | H8 | 115.9° | 120.1° |
| C7 | C6 | C61 | C62 | 129.3° | 24.9° |
| C7 | C6 | C61 | S1 | 109.5° | 145.4° |
| C7 | C6 | C5 | H7 | 77.4° | 83.0° |
| C7 | C6 | C5 | H6 | 42.1° | 35.2° |
| C6 | C7 | H9 | H72 | 113.5° | 120.0° |
| C6 | C7 | O8 | H81 | 180.0° | 180.0° |
| C7 | C6 | C61 | H13 | 9.8° | 94.3° |
| O8 | C7 | C6 | C61 | 13.5° | 178.4° |
| O8 | C7 | C6 | H8 | 102.2° | 58.3° |
| O8 | C7 | H9 | H72 | 113.5° | 120.0° |
| C6 | C61 | C62 | N63 | 45.9° | 177.2° |
| C6 | C61 | C62 | S1 | 121.8° | 121.6° |
| C6 | C61 | C62 | H13 | 119.7° | 119.2° |
| C6 | C61 | S1 | H13 | 121.0° | 120.3° |
| C6 | C61 | C62 | C66 | 168.7° | 66.6° |
| C6 | C61 | S1 | C2 | 69.9° | 40.5° |
| C61 | C6 | C5 | H7 | 51.4° | 36.9° |
| C61 | C6 | C5 | H6 | 171.0° | 155.1° |
| C61 | C6 | C7 | H9 | 108.4° | 58.4° |
| C61 | C6 | C7 | H72 | 135.5° | 61.6° |
| C6 | C61 | C62 | H14 | 71.1° | 55.2° |
| C31 | C3 | C2 | H3 | 113.3° | 120.8° |
| C31 | C3 | C2 | S1 | 164.7° | 143.6° |
| C31 | C3 | C2 | H2 | 43.3° | 23.3° |
| C31 | C3 | C2 | H1 | 74.1° | 96.2° |
| C31 | C3 | N4 | H41 | 60.6° | 81.2° |
| C3 | C31 | O33 | H5 | 179.7° | 180.0° |
| O33 | C31 | C3 | C2 | 28.1° | 80.0° |
| O33 | C31 | C3 | H3 | 85.3° | 40.7° |
| C3 | C2 | S1 | C61 | 63.8° | 40.3° |
| C3 | C2 | S1 | H2 | 121.3° | 120.3° |
| C3 | C2 | S1 | H1 | 121.3° | 120.1° |
| C3 | C2 | H2 | H1 | 115.9° | 119.4° |
| C2 | C3 | N4 | H41 | 62.7° | 38.4° |
| N64 | C67 | S68 | H20 | 119.0° | 119.6° |
| N64 | C67 | S68 | H19 | 119.0° | 119.6° |
| C67 | N64 | N63 | C65 | 113.1° | 119.9° |
| C67 | N64 | N63 | C62 | 172.1° | 161.0° |
| N64 | C67 | S68 | C69 | 44.3° | 51.8° |
| C67 | N64 | C65 | C66 | 163.0° | 163.1° |
| C67 | N64 | C65 | C70 | 70.8° | 77.4° |
| C67 | N64 | N63 | H15 | 71.1° | 78.9° |
| C67 | N64 | C65 | H16 | 48.0° | 45.1° |
| N64 | C67 | H20 | H19 | 123.1° | 120.8° |
| S68 | C67 | N64 | N63 | 179.0° | 176.8° |
| S68 | C67 | N64 | C65 | 74.4° | 66.6° |
| C67 | S68 | C69 | C70 | 14.2° | 49.5° |
| S68 | C67 | H20 | H19 | 123.0° | 120.8° |
| C67 | S68 | C69 | H21 | 107.4° | 70.4° |
| C67 | S68 | C69 | H22 | 135.9° | 169.4° |
| N64 | N63 | C62 | H15 | 116.8° | 120.1° |
| N64 | N63 | C62 | C61 | 173.3° | 143.7° |
| N64 | N63 | C62 | C66 | 47.3° | 24.7° |
| N63 | N64 | C65 | C66 | 59.4° | 40.6° |
| N63 | N64 | C65 | C70 | 174.4° | 160.1° |
| N64 | N63 | C62 | H14 | 69.2° | 94.4° |
| N63 | N64 | C65 | H16 | 55.7° | 77.4° |
| N63 | N64 | C67 | H20 | 60.0° | 63.6° |
| N63 | N64 | C67 | H19 | 62.1° | 57.2° |
| C62 | N63 | N64 | C65 | 59.0° | 41.2° |
| N63 | C62 | C61 | C66 | 122.8° | 116.2° |
| N63 | C62 | C61 | H14 | 117.0° | 121.9° |
| N63 | C62 | C61 | S1 | 167.8° | 61.2° |
| N63 | C62 | C66 | H14 | 114.2° | 119.1° |
| N63 | C62 | C66 | C65 | 9.8° | 0.2° |
| N63 | C62 | C61 | H13 | 73.7° | 58.0° |
| N63 | C62 | C66 | H17 | 128.6° | 118.5° |
| N63 | C62 | C66 | H18 | 109.1° | 118.9° |
| N64 | C65 | C66 | C62 | 22.7° | 24.5° |
| N64 | C65 | C66 | C70 | 118.2° | 117.7° |
| N64 | C65 | C66 | H16 | 114.2° | 118.1° |
| N64 | C65 | C70 | H16 | 119.3° | 122.1° |
| N64 | C65 | C70 | C69 | 32.0° | 72.5° |
| C65 | N64 | N63 | H15 | 175.8° | 161.2° |
| N64 | C65 | C66 | H17 | 96.2° | 94.2° |
| N64 | C65 | C66 | H18 | 141.6° | 143.1° |
| C65 | N64 | C67 | H20 | 44.6° | 53.0° |
| C65 | N64 | C67 | H19 | 166.7° | 173.8° |
| N64 | C65 | C70 | H23 | 88.7° | 47.2° |
| N64 | C65 | C70 | H24 | 152.8° | 167.7° |
| S68 | C69 | C70 | C65 | 7.7° | 60.3° |
| S68 | C69 | C70 | H21 | 121.7° | 119.9° |
| S68 | C69 | C70 | H22 | 121.7° | 119.9° |
| C69 | S68 | C67 | H20 | 74.7° | 67.8° |
| C69 | S68 | C67 | H19 | 163.3° | 171.4° |
| S68 | C69 | H21 | H22 | 114.6° | 120.1° |
| S68 | C69 | C70 | H23 | 113.1° | 59.4° |
| S68 | C69 | C70 | H24 | 128.5° | 179.9° |
| C62 | C61 | S1 | H13 | 120.2° | 119.2° |
| C61 | C62 | C66 | H14 | 118.6° | 121.8° |
| C62 | C61 | S1 | C2 | 48.9° | 161.0° |
| C61 | C62 | C66 | C65 | 136.9° | 118.8° |
| C62 | C61 | C6 | H8 | 13.5° | 95.2° |
| C61 | C62 | N63 | H15 | 69.9° | 96.2° |
| C61 | C62 | C66 | H17 | 104.2° | 122.5° |
| C61 | C62 | C66 | H18 | 18.1° | 0.1° |
| S1 | C61 | C62 | C66 | 69.4° | 55.0° |
| C61 | S1 | C2 | H2 | 57.5° | 160.6° |
| C61 | S1 | C2 | H1 | 174.9° | 79.8° |
| S1 | C61 | C6 | H8 | 134.6° | 25.3° |
| S1 | C61 | C62 | H14 | 50.7° | 176.9° |
| C62 | C66 | C65 | H17 | 118.9° | 118.7° |
| C62 | C66 | C65 | H18 | 118.9° | 118.6° |
| C62 | C66 | C65 | C70 | 140.9° | 142.1° |
| C66 | C62 | C61 | H13 | 49.1° | 174.2° |
| C66 | C62 | N63 | H15 | 164.1° | 144.8° |
| C62 | C66 | C65 | H16 | 91.5° | 93.6° |
| C62 | C66 | H17 | H18 | 123.3° | 122.6° |
| S1 | C2 | H2 | H1 | 115.8° | 119.6° |
| S1 | C2 | C3 | H3 | 82.0° | 22.8° |
| C2 | S1 | C61 | H13 | 169.1° | 79.8° |
| C66 | C65 | C70 | H16 | 128.4° | 123.9° |
| C66 | C65 | C70 | C69 | 144.3° | 173.6° |
| C65 | C66 | C62 | H14 | 104.5° | 119.4° |
| C65 | C66 | H17 | H18 | 123.2° | 122.7° |
| C66 | C65 | C70 | H23 | 23.5° | 66.7° |
| C66 | C65 | C70 | H24 | 94.9° | 53.8° |
| C65 | C70 | C69 | H23 | 120.8° | 119.7° |
| C65 | C70 | C69 | H24 | 120.8° | 119.8° |
| C70 | C65 | C66 | H17 | 22.1° | 23.5° |
| C70 | C65 | C66 | H18 | 100.2° | 99.2° |
| C65 | C70 | C69 | H21 | 113.9° | 59.6° |
| C65 | C70 | C69 | H22 | 129.4° | 179.8° |
| C65 | C70 | H23 | H24 | 117.5° | 120.5° |
| C69 | C70 | C65 | H16 | 87.3° | 49.6° |
| C70 | C69 | H21 | H22 | 114.6° | 120.3° |
| C69 | C70 | H23 | H24 | 117.5° | 120.4° |
| H2 | C2 | C3 | H3 | 156.7° | 97.5° |
| H1 | C2 | C3 | H3 | 39.3° | 143.0° |
| H3 | C3 | N4 | H41 | 175.2° | 158.0° |
| H41 | N4 | C5 | H7 | 142.8° | 177.9° |
| H41 | N4 | C5 | H6 | 97.6° | 59.7° |
| H7 | C5 | C6 | H8 | 170.8° | 156.8° |
| H6 | C5 | C6 | H8 | 69.7° | 85.0° |
| H8 | C6 | C7 | H9 | 135.9° | 61.7° |
| H8 | C6 | C7 | H72 | 19.8° | 178.3° |
| H8 | C6 | C61 | H13 | 106.1° | 145.6° |
| H9 | C7 | O8 | H81 | 58.1° | 60.0° |
| H72 | C7 | O8 | H81 | 58.0° | 60.0° |
| H13 | C61 | C62 | H14 | 169.3° | 63.9° |
| H14 | C62 | N63 | H15 | 47.6° | 25.7° |
| H14 | C62 | C66 | H17 | 14.4° | 0.7° |
| H14 | C62 | C66 | H18 | 136.7° | 121.9° |
| H16 | C65 | C66 | H17 | 149.6° | 147.7° |
| H16 | C65 | C66 | H18 | 27.4° | 25.0° |
| H16 | C65 | C70 | H23 | 151.9° | 169.3° |
| H16 | C65 | C70 | H24 | 33.5° | 70.1° |
| H21 | C69 | C70 | H23 | 125.3° | 179.3° |
| H21 | C69 | C70 | H24 | 6.9° | 60.2° |
| H22 | C69 | C70 | H23 | 8.6° | 60.4° |
| H22 | C69 | C70 | H24 | 109.8° | 60.1° |
