APV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O19 | doub | 1.21Å | 1.19Å | |
| C1 | O20 | sing | 1.34Å | 1.33Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N14 | sing | 1.47Å | 1.46Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C4 | C7 | sing | 1.53Å | 1.53Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| C7 | C10 | sing | 1.51Å | 1.51Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C10 | N11 | sing | 1.35Å | 1.35Å | |
| C10 | O15 | doub | 1.21Å | 1.23Å | |
| N11 | C12 | sing | 1.47Å | 1.44Å | |
| N11 | H11 | sing | 0.97Å | 0.99Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | C16 | sing | 1.53Å | 1.55Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | O18 | doub | 1.21Å | 1.21Å | |
| C13 | N29 | sing | 1.37Å | 1.40Å | |
| N14 | H141 | sing | 1.01Å | 1.03Å | |
| N14 | H142 | sing | 1.01Å | 1.03Å | |
| C16 | S17 | sing | 1.84Å | 1.79Å | |
| C16 | N29 | sing | 1.48Å | 1.48Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| S17 | C32 | sing | 1.85Å | 1.86Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| N29 | C30 | sing | 1.49Å | 1.47Å | |
| C30 | C31 | sing | 1.51Å | 1.46Å | |
| C30 | C32 | sing | 1.55Å | 1.58Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | O42 | doub | 1.21Å | 1.22Å | |
| C31 | O43 | sing | 1.34Å | 1.37Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | O32 | sing | 1.43Å | 1.41Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| O32 | HA | sing | 0.97Å | 0.99Å | |
| O43 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O19 | 126.2° | 120.0° |
| C2 | C1 | O20 | 111.2° | 120.0° |
| C1 | C2 | C3 | 111.2° | 109.5° |
| C1 | C2 | N14 | 110.1° | 109.5° |
| C1 | C2 | H2 | 110.3° | 109.5° |
| O19 | C1 | O20 | 122.6° | 120.0° |
| C1 | O20 | H20 | 111.3° | 120.0° |
| C3 | C2 | N14 | 115.9° | 109.5° |
| C3 | C2 | H2 | 103.8° | 109.4° |
| C2 | C3 | C4 | 110.5° | 109.6° |
| C2 | C3 | H3C1 | 109.2° | 109.5° |
| C2 | C3 | H3C2 | 108.9° | 109.5° |
| N14 | C2 | H2 | 105.1° | 109.4° |
| C2 | N14 | H141 | 109.5° | 106.7° |
| C2 | N14 | H142 | 109.5° | 106.7° |
| C4 | C3 | H3C1 | 109.2° | 109.5° |
| C4 | C3 | H3C2 | 108.9° | 109.5° |
| C3 | C4 | C7 | 113.8° | 109.5° |
| C3 | C4 | H4C1 | 108.4° | 109.5° |
| C3 | C4 | H4C2 | 107.0° | 109.4° |
| H3C1 | C3 | H3C2 | 110.1° | 109.4° |
| C7 | C4 | H4C1 | 108.4° | 109.5° |
| C7 | C4 | H4C2 | 106.9° | 109.5° |
| C4 | C7 | C10 | 110.3° | 109.5° |
| C4 | C7 | H7C1 | 109.3° | 109.5° |
| C4 | C7 | H7C2 | 109.0° | 109.5° |
| H4C1 | C4 | H4C2 | 112.5° | 109.4° |
| C10 | C7 | H7C1 | 109.3° | 109.5° |
| C10 | C7 | H7C2 | 109.0° | 109.5° |
| C7 | C10 | N11 | 116.0° | 120.0° |
| C7 | C10 | O15 | 121.0° | 120.0° |
| H7C1 | C7 | H7C2 | 110.0° | 109.4° |
| N11 | C10 | O15 | 123.0° | 120.0° |
| C10 | N11 | C12 | 122.3° | 120.0° |
| C10 | N11 | H11 | 118.9° | 120.0° |
| C12 | N11 | H11 | 118.9° | 120.0° |
| N11 | C12 | C13 | 119.0° | 113.7° |
| N11 | C12 | C16 | 117.2° | 113.7° |
| N11 | C12 | H12 | 92.9° | 113.0° |
| C13 | C12 | C16 | 84.0° | 86.4° |
| C13 | C12 | H12 | 122.6° | 113.8° |
| C12 | C13 | O18 | 136.3° | 134.1° |
| C12 | C13 | N29 | 93.4° | 91.8° |
| C16 | C12 | H12 | 124.2° | 113.8° |
| C12 | C16 | S17 | 122.2° | 114.1° |
| C12 | C16 | N29 | 90.3° | 87.1° |
| C12 | C16 | H16 | 112.3° | 115.9° |
| O18 | C13 | N29 | 130.3° | 134.1° |
| C13 | N29 | C16 | 92.4° | 93.7° |
| C13 | N29 | C30 | 133.6° | 115.7° |
| H141 | N14 | H142 | 109.4° | 106.6° |
| S17 | C16 | N29 | 102.6° | 104.3° |
| S17 | C16 | H16 | 101.8° | 115.0° |
| C16 | S17 | C32 | 92.1° | 97.1° |
| N29 | C16 | H16 | 129.6° | 116.7° |
| C16 | N29 | C30 | 118.7° | 114.3° |
| S17 | C32 | C30 | 101.7° | 98.6° |
| S17 | C32 | C33 | 112.5° | 111.6° |
| S17 | C32 | H32 | 114.0° | 111.6° |
| N29 | C30 | C31 | 112.7° | 108.3° |
| N29 | C30 | C32 | 106.0° | 112.0° |
| N29 | C30 | H30 | 111.8° | 109.4° |
| C31 | C30 | C32 | 115.2° | 109.0° |
| C31 | C30 | H30 | 101.9° | 109.0° |
| C30 | C31 | O42 | 126.4° | 120.0° |
| C30 | C31 | O43 | 110.7° | 120.0° |
| C32 | C30 | H30 | 109.2° | 109.0° |
| C30 | C32 | C33 | 113.4° | 111.6° |
| C30 | C32 | H32 | 113.2° | 111.6° |
| O42 | C31 | O43 | 122.7° | 120.0° |
| C31 | O43 | H43 | 110.6° | 119.9° |
| C33 | C32 | H32 | 102.5° | 111.3° |
| C32 | C33 | O32 | 117.8° | 109.5° |
| C32 | C33 | H331 | 107.3° | 109.5° |
| C32 | C33 | H332 | 104.6° | 109.4° |
| O32 | C33 | H331 | 107.3° | 109.4° |
| O32 | C33 | H332 | 104.6° | 109.5° |
| C33 | O32 | HA | 109.5° | 106.8° |
| H331 | C33 | H332 | 115.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O19 | O20 | 179.6° | 179.9° |
| C1 | C2 | C3 | N14 | 126.7° | 120.1° |
| C1 | C2 | C3 | H2 | 118.6° | 120.0° |
| C1 | C2 | N14 | H2 | 118.8° | 120.0° |
| C1 | C2 | C3 | C4 | 179.5° | 180.0° |
| C1 | C2 | C3 | H3C1 | 60.3° | 60.0° |
| C1 | C2 | C3 | H3C2 | 60.0° | 59.9° |
| C1 | C2 | N14 | H141 | 83.7° | 60.0° |
| C1 | C2 | N14 | H142 | 36.3° | 173.7° |
| C2 | C1 | O20 | H20 | 180.0° | 180.0° |
| O19 | C1 | C2 | C3 | 111.0° | 90.0° |
| O19 | C1 | C2 | N14 | 18.9° | 30.0° |
| O19 | C1 | C2 | H2 | 134.4° | 150.0° |
| O19 | C1 | O20 | H20 | 0.3° | 0.1° |
| O20 | C1 | C2 | C3 | 68.7° | 89.9° |
| O20 | C1 | C2 | N14 | 161.4° | 150.0° |
| O20 | C1 | C2 | H2 | 45.9° | 30.0° |
| C3 | C2 | N14 | H2 | 113.9° | 119.9° |
| C2 | C3 | C4 | H3C1 | 120.2° | 120.0° |
| C2 | C3 | C4 | H3C2 | 119.5° | 120.0° |
| C2 | C3 | H3C1 | H3C2 | 119.5° | 120.0° |
| C2 | C3 | C4 | C7 | 179.1° | 180.0° |
| C2 | C3 | C4 | H4C1 | 60.2° | 60.0° |
| C2 | C3 | C4 | H4C2 | 61.3° | 59.9° |
| C3 | C2 | N14 | H141 | 149.0° | 60.1° |
| C3 | C2 | N14 | H142 | 91.0° | 53.6° |
| N14 | C2 | C3 | C4 | 53.7° | 59.9° |
| N14 | C2 | C3 | H3C1 | 66.4° | 60.1° |
| N14 | C2 | C3 | H3C2 | 173.3° | 180.0° |
| C2 | N14 | H141 | H142 | 120.0° | 113.7° |
| H2 | C2 | C3 | C4 | 60.9° | 60.0° |
| H2 | C2 | C3 | H3C1 | 179.0° | 180.0° |
| H2 | C2 | C3 | H3C2 | 58.7° | 60.1° |
| H2 | C2 | N14 | H141 | 35.1° | 179.9° |
| H2 | C2 | N14 | H142 | 155.1° | 66.3° |
| C4 | C3 | H3C1 | H3C2 | 119.5° | 120.0° |
| C3 | C4 | C7 | H4C1 | 120.7° | 120.0° |
| C3 | C4 | C7 | H4C2 | 117.9° | 120.0° |
| C3 | C4 | H4C1 | H4C2 | 118.1° | 119.9° |
| C3 | C4 | C7 | C10 | 170.9° | 180.0° |
| C3 | C4 | C7 | H7C1 | 50.7° | 60.0° |
| C3 | C4 | C7 | H7C2 | 69.5° | 60.0° |
| H3C1 | C3 | C4 | C7 | 59.0° | 60.0° |
| H3C1 | C3 | C4 | H4C1 | 179.6° | 180.0° |
| H3C1 | C3 | C4 | H4C2 | 58.9° | 60.1° |
| H3C2 | C3 | C4 | C7 | 61.4° | 60.0° |
| H3C2 | C3 | C4 | H4C1 | 59.3° | 60.1° |
| H3C2 | C3 | C4 | H4C2 | 179.2° | 180.0° |
| C7 | C4 | H4C1 | H4C2 | 118.0° | 120.0° |
| C4 | C7 | C10 | H7C1 | 120.1° | 120.0° |
| C4 | C7 | C10 | H7C2 | 119.7° | 120.0° |
| C4 | C7 | H7C1 | H7C2 | 119.6° | 120.0° |
| C4 | C7 | C10 | N11 | 129.5° | 180.0° |
| C4 | C7 | C10 | O15 | 50.4° | 0.0° |
| H4C1 | C4 | C7 | C10 | 68.5° | 60.0° |
| H4C1 | C4 | C7 | H7C1 | 171.4° | 180.0° |
| H4C1 | C4 | C7 | H7C2 | 51.2° | 60.1° |
| H4C2 | C4 | C7 | C10 | 53.0° | 60.0° |
| H4C2 | C4 | C7 | H7C1 | 67.1° | 60.0° |
| H4C2 | C4 | C7 | H7C2 | 172.6° | 180.0° |
| C10 | C7 | H7C1 | H7C2 | 119.7° | 120.0° |
| C7 | C10 | N11 | O15 | 179.9° | 180.0° |
| C7 | C10 | N11 | C12 | 166.9° | 180.0° |
| C7 | C10 | N11 | H11 | 13.2° | 0.1° |
| H7C1 | C7 | C10 | N11 | 110.4° | 60.0° |
| H7C1 | C7 | C10 | O15 | 69.7° | 120.0° |
| H7C2 | C7 | C10 | N11 | 9.8° | 60.0° |
| H7C2 | C7 | C10 | O15 | 170.0° | 120.0° |
| C10 | N11 | C12 | H11 | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 66.2° | 111.3° |
| C10 | N11 | C12 | C16 | 164.9° | 152.0° |
| C10 | N11 | C12 | H12 | 63.9° | 20.3° |
| O15 | C10 | N11 | C12 | 13.2° | 0.0° |
| O15 | C10 | N11 | H11 | 166.7° | 180.0° |
| N11 | C12 | C13 | C16 | 117.8° | 114.4° |
| N11 | C12 | C13 | H12 | 115.0° | 131.2° |
| N11 | C12 | C16 | H12 | 114.7° | 131.2° |
| N11 | C12 | C13 | O18 | 63.4° | 71.7° |
| N11 | C12 | C13 | N29 | 118.2° | 106.5° |
| N11 | C12 | C16 | S17 | 15.0° | 2.6° |
| N11 | C12 | C16 | N29 | 120.0° | 107.1° |
| N11 | C12 | C16 | H16 | 106.3° | 134.5° |
| H11 | N11 | C12 | C13 | 113.7° | 68.8° |
| H11 | N11 | C12 | C16 | 15.1° | 28.0° |
| H11 | N11 | C12 | H12 | 116.2° | 159.6° |
| C13 | C12 | C16 | H12 | 125.7° | 114.4° |
| C12 | C13 | O18 | N29 | 177.9° | 177.6° |
| C13 | C12 | C16 | S17 | 104.6° | 111.7° |
| C13 | C12 | C16 | N29 | 0.4° | 7.3° |
| C13 | C12 | C16 | H16 | 134.1° | 111.1° |
| C12 | C13 | N29 | C30 | 135.1° | 111.2° |
| C16 | C12 | C13 | O18 | 178.8° | 173.9° |
| C12 | C16 | S17 | N29 | 98.4° | 93.3° |
| C12 | C16 | S17 | H16 | 126.1° | 137.6° |
| C12 | C16 | N29 | H16 | 119.7° | 117.7° |
| C12 | C16 | S17 | C32 | 133.7° | 112.1° |
| C12 | C16 | N29 | C30 | 144.4° | 112.4° |
| H12 | C12 | C13 | O18 | 51.6° | 59.5° |
| H12 | C12 | C13 | N29 | 126.7° | 122.2° |
| H12 | C12 | C16 | S17 | 129.7° | 133.9° |
| H12 | C12 | C16 | N29 | 125.3° | 121.7° |
| H12 | C12 | C16 | H16 | 8.4° | 3.3° |
| O18 | C13 | N29 | C16 | 179.0° | 173.6° |
| O18 | C13 | N29 | C30 | 46.4° | 67.1° |
| C13 | N29 | C16 | S17 | 122.7° | 122.2° |
| C13 | N29 | C16 | C30 | 144.0° | 120.4° |
| C13 | N29 | C16 | H16 | 120.2° | 109.7° |
| C13 | N29 | C30 | C31 | 98.8° | 105.0° |
| C13 | N29 | C30 | C32 | 134.2° | 134.8° |
| C13 | N29 | C30 | H30 | 15.3° | 13.8° |
| S17 | C16 | N29 | H16 | 117.2° | 128.1° |
| S17 | C16 | N29 | C30 | 21.3° | 1.8° |
| C16 | S17 | C32 | C30 | 40.3° | 31.5° |
| C16 | S17 | C32 | C33 | 81.3° | 85.9° |
| C16 | S17 | C32 | H32 | 162.5° | 148.8° |
| N29 | C16 | S17 | C32 | 35.3° | 18.8° |
| C16 | N29 | C30 | C31 | 135.3° | 147.9° |
| C16 | N29 | C30 | C32 | 8.4° | 27.6° |
| C16 | N29 | C30 | H30 | 110.5° | 93.4° |
| H16 | C16 | S17 | C32 | 100.2° | 110.3° |
| H16 | C16 | N29 | C30 | 95.8° | 129.9° |
| S17 | C32 | C30 | N29 | 32.6° | 37.3° |
| S17 | C32 | C30 | C31 | 158.0° | 157.2° |
| S17 | C32 | C30 | C33 | 121.0° | 117.4° |
| S17 | C32 | C30 | H32 | 122.8° | 117.4° |
| S17 | C32 | C30 | H30 | 88.1° | 83.9° |
| S17 | C32 | C33 | H32 | 122.9° | 125.4° |
| S17 | C32 | C33 | O32 | 0.5° | 61.5° |
| S17 | C32 | C33 | H331 | 120.7° | 178.5° |
| S17 | C32 | C33 | H332 | 116.0° | 58.6° |
| N29 | C30 | C31 | C32 | 121.9° | 122.1° |
| N29 | C30 | C31 | H30 | 120.1° | 119.0° |
| N29 | C30 | C32 | H30 | 120.7° | 121.2° |
| N29 | C30 | C31 | O42 | 168.1° | 3.5° |
| N29 | C30 | C31 | O43 | 17.7° | 176.5° |
| N29 | C30 | C32 | C33 | 88.4° | 80.1° |
| N29 | C30 | C32 | H32 | 155.3° | 154.6° |
| C31 | C30 | C32 | H30 | 113.9° | 118.9° |
| C30 | C31 | O42 | O43 | 173.5° | 180.0° |
| C31 | C30 | C32 | C33 | 37.0° | 39.8° |
| C31 | C30 | C32 | H32 | 79.2° | 85.5° |
| C30 | C31 | O43 | H43 | 180.0° | 180.0° |
| C32 | C30 | C31 | O42 | 46.3° | 118.6° |
| C32 | C30 | C31 | O43 | 139.5° | 61.4° |
| C30 | C32 | C33 | H32 | 122.4° | 125.4° |
| C30 | C32 | C33 | O32 | 114.2° | 170.7° |
| C30 | C32 | C33 | H331 | 124.6° | 69.3° |
| C30 | C32 | C33 | H332 | 1.3° | 50.7° |
| H30 | C30 | C31 | O42 | 71.8° | 122.5° |
| H30 | C30 | C31 | O43 | 102.4° | 57.5° |
| H30 | C30 | C32 | C33 | 150.9° | 158.7° |
| H30 | C30 | C32 | H32 | 34.7° | 33.4° |
| O42 | C31 | O43 | H43 | 5.5° | 0.0° |
| C32 | C33 | O32 | H331 | 121.2° | 120.0° |
| C32 | C33 | O32 | H332 | 115.6° | 120.0° |
| C32 | C33 | H331 | H332 | 116.2° | 120.0° |
| C32 | C33 | O32 | HA | 176.1° | 180.0° |
| H32 | C32 | C33 | O32 | 123.4° | 63.9° |
| H32 | C32 | C33 | H331 | 2.2° | 56.1° |
| H32 | C32 | C33 | H332 | 121.0° | 176.0° |
| O32 | C33 | H331 | H332 | 116.2° | 120.1° |
| H331 | C33 | O32 | HA | 62.7° | 60.0° |
| H332 | C33 | O32 | HA | 60.5° | 60.0° |
