ACV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O19 | sing | 1.34Å | 1.26Å | |
| C1 | O20 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N14 | sing | 1.47Å | 1.61Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32A | sing | 1.09Å | 1.12Å | |
| C4 | C7 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C7 | C10 | sing | 1.51Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C10 | N11 | sing | 1.35Å | 1.32Å | |
| C10 | O15 | doub | 1.21Å | 1.22Å | |
| N11 | C12 | sing | 1.46Å | 1.47Å | |
| N11 | HNB | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | C16 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.11Å | |
| C13 | O18 | doub | 1.21Å | 1.21Å | |
| C13 | N29 | sing | 1.35Å | 1.35Å | |
| N14 | HNE1 | sing | 1.01Å | 1.02Å | |
| N14 | HNE2 | sing | 1.01Å | 1.02Å | |
| C16 | S17 | sing | 1.81Å | 1.82Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| S17 | HS7 | sing | 1.34Å | 0.95Å | |
| O19 | HOJ | sing | 0.97Å | 0.95Å | |
| N29 | C30 | sing | 1.46Å | 1.46Å | |
| N29 | HNT | sing | 0.97Å | 1.02Å | |
| C30 | C31 | sing | 1.51Å | 1.54Å | |
| C30 | C32 | sing | 1.53Å | 1.56Å | |
| C30 | H30 | sing | 1.09Å | 1.11Å | |
| C31 | O42 | doub | 1.21Å | 1.24Å | |
| C31 | O43 | sing | 1.34Å | 1.24Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | C37 | sing | 1.53Å | 1.55Å | |
| C32 | H32 | sing | 1.09Å | 1.12Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C33 | H333 | sing | 1.09Å | 1.12Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C37 | H373 | sing | 1.09Å | 1.11Å | |
| O43 | HO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O19 | 116.5° | 120.0° |
| C2 | C1 | O20 | 116.4° | 120.0° |
| C1 | C2 | C3 | 111.8° | 109.5° |
| C1 | C2 | N14 | 110.7° | 109.5° |
| C1 | C2 | H2 | 107.3° | 109.5° |
| O19 | C1 | O20 | 127.0° | 120.0° |
| C1 | O19 | HOJ | 116.4° | 120.0° |
| C3 | C2 | N14 | 110.3° | 109.5° |
| C3 | C2 | H2 | 107.7° | 109.4° |
| C2 | C3 | C4 | 113.5° | 109.5° |
| C2 | C3 | H31 | 110.7° | 109.5° |
| C2 | C3 | H32A | 110.7° | 109.5° |
| N14 | C2 | H2 | 108.9° | 109.4° |
| C2 | N14 | HNE1 | 110.7° | 106.7° |
| C2 | N14 | HNE2 | 111.7° | 106.7° |
| C4 | C3 | H31 | 110.7° | 109.4° |
| C4 | C3 | H32A | 110.7° | 109.4° |
| C3 | C4 | C7 | 106.9° | 109.5° |
| C3 | C4 | H41 | 113.2° | 109.4° |
| C3 | C4 | H42 | 113.2° | 109.5° |
| H31 | C3 | H32A | 99.6° | 109.5° |
| C7 | C4 | H41 | 113.2° | 109.5° |
| C7 | C4 | H42 | 113.2° | 109.5° |
| C4 | C7 | C10 | 107.6° | 109.5° |
| C4 | C7 | H71 | 112.9° | 109.5° |
| C4 | C7 | H72 | 112.9° | 109.4° |
| H41 | C4 | H42 | 97.3° | 109.5° |
| C10 | C7 | H71 | 112.9° | 109.5° |
| C10 | C7 | H72 | 112.9° | 109.5° |
| C7 | C10 | N11 | 117.5° | 120.0° |
| C7 | C10 | O15 | 125.0° | 120.0° |
| H71 | C7 | H72 | 97.6° | 109.4° |
| N11 | C10 | O15 | 117.3° | 120.0° |
| C10 | N11 | C12 | 127.1° | 120.0° |
| C10 | N11 | HNB | 110.6° | 119.9° |
| C12 | N11 | HNB | 122.3° | 120.1° |
| N11 | C12 | C13 | 106.5° | 109.5° |
| N11 | C12 | C16 | 108.0° | 109.5° |
| N11 | C12 | H12 | 112.7° | 109.5° |
| C13 | C12 | C16 | 110.7° | 109.5° |
| C13 | C12 | H12 | 110.2° | 109.5° |
| C12 | C13 | O18 | 125.1° | 120.0° |
| C12 | C13 | N29 | 115.1° | 120.1° |
| C16 | C12 | H12 | 108.8° | 109.5° |
| C12 | C16 | S17 | 112.0° | 109.5° |
| C12 | C16 | H161 | 111.3° | 109.4° |
| C12 | C16 | H162 | 111.3° | 109.5° |
| O18 | C13 | N29 | 119.6° | 119.9° |
| C13 | N29 | C30 | 122.9° | 120.1° |
| C13 | N29 | HNT | 114.5° | 120.0° |
| HNE1 | N14 | HNE2 | 111.8° | 106.6° |
| S17 | C16 | H161 | 111.3° | 109.5° |
| S17 | C16 | H162 | 111.3° | 109.5° |
| C16 | S17 | HS7 | 112.0° | 100.1° |
| H161 | C16 | H162 | 99.1° | 109.4° |
| C30 | N29 | HNT | 122.6° | 120.0° |
| N29 | C30 | C31 | 110.3° | 109.5° |
| N29 | C30 | C32 | 113.6° | 109.5° |
| N29 | C30 | H30 | 106.5° | 109.4° |
| C31 | C30 | C32 | 111.1° | 109.5° |
| C31 | C30 | H30 | 109.3° | 109.5° |
| C30 | C31 | O42 | 120.6° | 120.0° |
| C30 | C31 | O43 | 116.7° | 120.0° |
| C32 | C30 | H30 | 105.7° | 109.4° |
| C30 | C32 | C33 | 109.6° | 109.5° |
| C30 | C32 | C37 | 104.6° | 109.4° |
| C30 | C32 | H32 | 111.8° | 109.4° |
| O42 | C31 | O43 | 122.7° | 120.0° |
| C31 | O43 | HO | 116.7° | 120.0° |
| C33 | C32 | C37 | 107.2° | 109.5° |
| C33 | C32 | H32 | 109.4° | 109.5° |
| C32 | C33 | H331 | 109.6° | 109.5° |
| C32 | C33 | H332 | 112.1° | 109.5° |
| C32 | C33 | H333 | 112.2° | 109.5° |
| C37 | C32 | H32 | 114.1° | 109.5° |
| C32 | C37 | H371 | 104.6° | 109.5° |
| C32 | C37 | H372 | 114.0° | 109.5° |
| C32 | C37 | H373 | 114.1° | 109.4° |
| H331 | C33 | H332 | 112.2° | 109.5° |
| H331 | C33 | H333 | 112.1° | 109.4° |
| H332 | C33 | H333 | 98.3° | 109.4° |
| H371 | C37 | H372 | 114.0° | 109.5° |
| H371 | C37 | H373 | 114.0° | 109.4° |
| H372 | C37 | H373 | 96.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O19 | O20 | 176.6° | 180.0° |
| C1 | C2 | C3 | N14 | 123.7° | 120.1° |
| C1 | C2 | C3 | H2 | 117.6° | 120.0° |
| C1 | C2 | N14 | H2 | 117.8° | 120.0° |
| C1 | C2 | C3 | C4 | 179.0° | 180.0° |
| C1 | C2 | C3 | H31 | 55.7° | 60.0° |
| C1 | C2 | C3 | H32A | 53.8° | 60.0° |
| C1 | C2 | N14 | HNE1 | 180.0° | 60.1° |
| C1 | C2 | N14 | HNE2 | 54.8° | 173.8° |
| C2 | C1 | O19 | HOJ | 180.0° | 180.0° |
| O19 | C1 | C2 | C3 | 114.2° | 89.9° |
| O19 | C1 | C2 | N14 | 9.3° | 150.0° |
| O19 | C1 | C2 | H2 | 128.0° | 30.0° |
| O20 | C1 | C2 | C3 | 62.8° | 90.0° |
| O20 | C1 | C2 | N14 | 173.8° | 30.1° |
| O20 | C1 | C2 | H2 | 55.1° | 150.0° |
| O20 | C1 | O19 | HOJ | 3.4° | 0.1° |
| C3 | C2 | N14 | H2 | 118.0° | 119.9° |
| C2 | C3 | C4 | H31 | 125.3° | 120.1° |
| C2 | C3 | C4 | H32A | 125.2° | 120.0° |
| C2 | C3 | H31 | H32A | 116.6° | 120.0° |
| C2 | C3 | C4 | C7 | 178.3° | 180.0° |
| C2 | C3 | C4 | H41 | 56.5° | 60.0° |
| C2 | C3 | C4 | H42 | 53.0° | 60.0° |
| C3 | C2 | N14 | HNE1 | 55.7° | 60.0° |
| C3 | C2 | N14 | HNE2 | 69.5° | 53.7° |
| N14 | C2 | C3 | C4 | 57.3° | 59.9° |
| N14 | C2 | C3 | H31 | 67.9° | 180.0° |
| N14 | C2 | C3 | H32A | 177.5° | 60.0° |
| C2 | N14 | HNE1 | HNE2 | 125.2° | 113.8° |
| H2 | C2 | C3 | C4 | 61.4° | 60.0° |
| H2 | C2 | C3 | H31 | 173.4° | 60.0° |
| H2 | C2 | C3 | H32A | 63.8° | 180.0° |
| H2 | C2 | N14 | HNE1 | 62.2° | 179.9° |
| H2 | C2 | N14 | HNE2 | 172.5° | 66.2° |
| C4 | C3 | H31 | H32A | 116.6° | 119.9° |
| C3 | C4 | C7 | H41 | 125.2° | 120.0° |
| C3 | C4 | C7 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 119.1° | 120.0° |
| C3 | C4 | C7 | C10 | 179.6° | 180.0° |
| C3 | C4 | C7 | H71 | 54.3° | 60.0° |
| C3 | C4 | C7 | H72 | 55.2° | 60.0° |
| H31 | C3 | C4 | C7 | 53.0° | 59.9° |
| H31 | C3 | C4 | H41 | 178.3° | 179.9° |
| H31 | C3 | C4 | H42 | 72.3° | 60.1° |
| H32A | C3 | C4 | C7 | 56.5° | 60.0° |
| H32A | C3 | C4 | H41 | 68.8° | 60.0° |
| H32A | C3 | C4 | H42 | 178.2° | 180.0° |
| C7 | C4 | H41 | H42 | 119.1° | 120.0° |
| C4 | C7 | C10 | H71 | 125.3° | 120.0° |
| C4 | C7 | C10 | H72 | 125.2° | 120.0° |
| C4 | C7 | H71 | H72 | 118.8° | 119.9° |
| C4 | C7 | C10 | N11 | 106.1° | 180.0° |
| C4 | C7 | C10 | O15 | 69.6° | 0.1° |
| H41 | C4 | C7 | C10 | 55.2° | 60.1° |
| H41 | C4 | C7 | H71 | 179.5° | 179.9° |
| H41 | C4 | C7 | H72 | 70.0° | 60.0° |
| H42 | C4 | C7 | C10 | 54.3° | 60.0° |
| H42 | C4 | C7 | H71 | 71.0° | 60.1° |
| H42 | C4 | C7 | H72 | 179.5° | 180.0° |
| C10 | C7 | H71 | H72 | 118.8° | 120.1° |
| C7 | C10 | N11 | O15 | 176.1° | 179.9° |
| C7 | C10 | N11 | C12 | 175.2° | 180.0° |
| C7 | C10 | N11 | HNB | 4.8° | 0.0° |
| H71 | C7 | C10 | N11 | 128.6° | 60.0° |
| H71 | C7 | C10 | O15 | 55.7° | 120.1° |
| H72 | C7 | C10 | N11 | 19.1° | 60.0° |
| H72 | C7 | C10 | O15 | 165.2° | 119.9° |
| C10 | N11 | C12 | HNB | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 122.6° | 150.0° |
| C10 | N11 | C12 | C16 | 118.5° | 90.0° |
| C10 | N11 | C12 | H12 | 1.7° | 30.0° |
| O15 | C10 | N11 | C12 | 8.8° | 0.0° |
| O15 | C10 | N11 | HNB | 171.2° | 179.9° |
| N11 | C12 | C13 | C16 | 117.1° | 120.0° |
| N11 | C12 | C13 | H12 | 122.6° | 120.0° |
| N11 | C12 | C16 | H12 | 122.7° | 120.0° |
| N11 | C12 | C13 | O18 | 12.1° | 0.0° |
| N11 | C12 | C13 | N29 | 171.6° | 179.9° |
| N11 | C12 | C16 | S17 | 55.9° | 60.0° |
| N11 | C12 | C16 | H161 | 178.9° | 60.0° |
| N11 | C12 | C16 | H162 | 69.3° | 180.0° |
| HNB | N11 | C12 | C13 | 57.4° | 30.0° |
| HNB | N11 | C12 | C16 | 61.5° | 90.0° |
| HNB | N11 | C12 | H12 | 178.3° | 150.0° |
| C13 | C12 | C16 | H12 | 121.1° | 120.0° |
| C12 | C13 | O18 | N29 | 176.2° | 179.9° |
| C13 | C12 | C16 | S17 | 60.3° | 180.0° |
| C13 | C12 | C16 | H161 | 64.9° | 60.0° |
| C13 | C12 | C16 | H162 | 174.5° | 60.0° |
| C12 | C13 | N29 | C30 | 177.6° | 180.0° |
| C12 | C13 | N29 | HNT | 2.4° | 0.2° |
| C16 | C12 | C13 | O18 | 129.2° | 120.0° |
| C16 | C12 | C13 | N29 | 54.4° | 60.1° |
| C12 | C16 | S17 | H161 | 125.2° | 120.0° |
| C12 | C16 | S17 | H162 | 125.3° | 120.1° |
| C12 | C16 | H161 | H162 | 117.2° | 120.0° |
| C12 | C16 | S17 | HS7 | 180.0° | 180.0° |
| H12 | C12 | C13 | O18 | 110.5° | 120.0° |
| H12 | C12 | C13 | N29 | 65.9° | 60.0° |
| H12 | C12 | C16 | S17 | 178.6° | 60.0° |
| H12 | C12 | C16 | H161 | 56.2° | 180.0° |
| H12 | C12 | C16 | H162 | 53.3° | 60.0° |
| O18 | C13 | N29 | C30 | 5.9° | 0.1° |
| O18 | C13 | N29 | HNT | 174.2° | 179.9° |
| C13 | N29 | C30 | HNT | 179.9° | 179.9° |
| C13 | N29 | C30 | C31 | 136.8° | 90.0° |
| C13 | N29 | C30 | C32 | 97.7° | 149.9° |
| C13 | N29 | C30 | H30 | 18.3° | 30.0° |
| S17 | C16 | H161 | H162 | 117.2° | 120.0° |
| H161 | C16 | S17 | HS7 | 54.7° | 60.1° |
| H162 | C16 | S17 | HS7 | 54.8° | 59.9° |
| N29 | C30 | C31 | C32 | 126.9° | 120.1° |
| N29 | C30 | C31 | H30 | 116.8° | 120.0° |
| N29 | C30 | C32 | H30 | 116.5° | 120.0° |
| N29 | C30 | C31 | O42 | 6.9° | 150.0° |
| N29 | C30 | C31 | O43 | 172.6° | 30.0° |
| N29 | C30 | C32 | C33 | 63.3° | 180.0° |
| N29 | C30 | C32 | C37 | 51.4° | 60.0° |
| N29 | C30 | C32 | H32 | 175.3° | 60.0° |
| HNT | N29 | C30 | C31 | 43.2° | 90.1° |
| HNT | N29 | C30 | C32 | 82.2° | 29.9° |
| HNT | N29 | C30 | H30 | 161.8° | 149.9° |
| C31 | C30 | C32 | H30 | 118.4° | 120.0° |
| C30 | C31 | O42 | O43 | 179.5° | 180.0° |
| C31 | C30 | C32 | C33 | 171.6° | 60.0° |
| C31 | C30 | C32 | C37 | 73.7° | 60.1° |
| C31 | C30 | C32 | H32 | 50.2° | 180.0° |
| C30 | C31 | O43 | HO | 180.0° | 180.0° |
| C32 | C30 | C31 | O42 | 133.8° | 90.0° |
| C32 | C30 | C31 | O43 | 45.7° | 90.0° |
| C30 | C32 | C33 | C37 | 113.0° | 120.0° |
| C30 | C32 | C33 | H32 | 122.9° | 120.0° |
| C30 | C32 | C37 | H32 | 122.4° | 119.9° |
| C30 | C32 | C33 | H331 | 180.0° | 179.9° |
| C30 | C32 | C33 | H332 | 54.7° | 60.0° |
| C30 | C32 | C33 | H333 | 54.8° | 60.0° |
| C30 | C32 | C37 | H371 | 180.0° | 60.1° |
| C30 | C32 | C37 | H372 | 54.8° | 60.0° |
| C30 | C32 | C37 | H373 | 54.8° | 180.0° |
| H30 | C30 | C31 | O42 | 110.0° | 30.0° |
| H30 | C30 | C31 | O43 | 70.5° | 150.0° |
| H30 | C30 | C32 | C33 | 53.2° | 60.0° |
| H30 | C30 | C32 | C37 | 167.8° | 180.0° |
| H30 | C30 | C32 | H32 | 68.3° | 60.0° |
| O42 | C31 | O43 | HO | 0.5° | 0.0° |
| C33 | C32 | C37 | H32 | 121.2° | 120.0° |
| C32 | C33 | H331 | H332 | 125.3° | 120.1° |
| C32 | C33 | H331 | H333 | 125.2° | 120.0° |
| C32 | C33 | H332 | H333 | 118.1° | 120.0° |
| C33 | C32 | C37 | H371 | 63.7° | 60.0° |
| C33 | C32 | C37 | H372 | 171.1° | 180.0° |
| C33 | C32 | C37 | H373 | 61.6° | 60.0° |
| C37 | C32 | C33 | H331 | 67.1° | 60.0° |
| C37 | C32 | C33 | H332 | 58.2° | 179.9° |
| C37 | C32 | C33 | H333 | 167.8° | 60.0° |
| C32 | C37 | H371 | H372 | 125.2° | 120.0° |
| C32 | C37 | H371 | H373 | 125.3° | 119.9° |
| C32 | C37 | H372 | H373 | 120.0° | 120.0° |
| H32 | C32 | C33 | H331 | 57.1° | 60.1° |
| H32 | C32 | C33 | H332 | 177.6° | 60.0° |
| H32 | C32 | C33 | H333 | 68.1° | 180.0° |
| H32 | C32 | C37 | H371 | 57.5° | NaN° |
| H32 | C32 | C37 | H372 | 67.7° | 60.0° |
| H32 | C32 | C37 | H373 | 177.2° | 60.1° |
| H331 | C33 | H332 | H333 | 118.0° | 119.9° |
| H371 | C37 | H372 | H373 | 120.0° | 120.0° |
