NVC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | doub | 1.21Å | 1.22Å | |
| C27 | C29 | sing | 1.51Å | 1.52Å | |
| C27 | N17 | sing | 1.35Å | 1.34Å | |
| C29 | C40 | sing | 1.53Å | 1.53Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C40 | C43 | sing | 1.53Å | 1.54Å | |
| C43 | C46 | sing | 1.53Å | 1.53Å | |
| C46 | C49 | sing | 1.53Å | 1.51Å | |
| C31 | N34 | sing | 1.46Å | 1.46Å | |
| N34 | O35 | sing | 1.42Å | 1.40Å | |
| N34 | C37 | sing | 1.35Å | 1.25Å | |
| C37 | O39 | doub | 1.21Å | 1.16Å | |
| N17 | C15 | sing | 1.47Å | 1.47Å | |
| N17 | C18 | sing | 1.47Å | 1.47Å | |
| C15 | C24 | sing | 1.54Å | 1.52Å | |
| C15 | C3 | sing | 1.51Å | 1.47Å | |
| C24 | C21 | sing | 1.55Å | 1.52Å | |
| C21 | C18 | sing | 1.55Å | 1.53Å | |
| C3 | O1 | sing | 1.34Å | 1.36Å | Aromatic |
| C3 | N4 | doub | 1.30Å | 1.36Å | Aromatic |
| O1 | C6 | sing | 1.35Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N4 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C49 | H49B | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| O35 | HO35 | sing | 0.97Å | 0.95Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | C29 | 120.0° | 120.0° |
| O28 | C27 | N17 | 121.0° | 120.0° |
| C29 | C27 | N17 | 118.9° | 120.0° |
| C27 | C29 | C40 | 113.9° | 109.5° |
| C27 | C29 | C31 | 105.6° | 109.5° |
| C27 | C29 | H29 | 109.4° | 109.4° |
| C27 | N17 | C15 | 119.8° | 125.6° |
| C27 | N17 | C18 | 128.9° | 125.7° |
| C40 | C29 | C31 | 110.1° | 109.5° |
| C29 | C40 | C43 | 112.6° | 109.5° |
| C40 | C29 | H29 | 104.9° | 109.5° |
| C29 | C40 | H40 | 108.5° | 109.5° |
| C29 | C40 | H40A | 107.7° | 109.4° |
| C29 | C31 | N34 | 111.6° | 109.5° |
| C31 | C29 | H29 | 113.3° | 109.5° |
| C29 | C31 | H31 | 108.7° | 109.5° |
| C29 | C31 | H31A | 108.3° | 109.4° |
| C40 | C43 | C46 | 108.3° | 109.5° |
| C43 | C40 | H40 | 108.4° | 109.5° |
| C43 | C40 | H40A | 107.8° | 109.4° |
| C40 | C43 | H43 | 109.8° | 109.5° |
| C40 | C43 | H43A | 110.2° | 109.5° |
| C43 | C46 | C49 | 112.6° | 109.5° |
| C46 | C43 | H43 | 109.9° | 109.4° |
| C46 | C43 | H43A | 110.1° | 109.4° |
| C43 | C46 | H46 | 108.5° | 109.5° |
| C43 | C46 | H46A | 107.7° | 109.5° |
| C49 | C46 | H46 | 108.4° | 109.4° |
| C49 | C46 | H46A | 107.7° | 109.5° |
| C46 | C49 | H49 | 109.5° | 109.5° |
| C46 | C49 | H49A | 109.5° | 109.5° |
| C46 | C49 | H49B | 109.5° | 109.5° |
| C31 | N34 | O35 | 116.6° | 120.0° |
| C31 | N34 | C37 | 118.4° | 120.0° |
| N34 | C31 | H31 | 108.8° | 109.5° |
| N34 | C31 | H31A | 108.2° | 109.5° |
| O35 | N34 | C37 | 124.9° | 120.0° |
| N34 | O35 | HO35 | 109.5° | 114.0° |
| N34 | C37 | O39 | 116.6° | 119.9° |
| N34 | C37 | H37 | 121.7° | 120.0° |
| O39 | C37 | H37 | 121.7° | 120.0° |
| C15 | N17 | C18 | 111.3° | 108.7° |
| N17 | C15 | C24 | 105.2° | 107.3° |
| N17 | C15 | C3 | 109.2° | 109.9° |
| N17 | C15 | H15 | 111.9° | 109.8° |
| N17 | C18 | C21 | 103.3° | 104.8° |
| N17 | C18 | H18 | 111.6° | 110.4° |
| N17 | C18 | H18A | 112.9° | 110.4° |
| C24 | C15 | C3 | 107.9° | 109.9° |
| C15 | C24 | C21 | 103.2° | 103.0° |
| C24 | C15 | H15 | 113.1° | 109.9° |
| C15 | C24 | H24 | 111.7° | 110.7° |
| C15 | C24 | H24A | 113.0° | 110.7° |
| C15 | C3 | O1 | 115.2° | 124.8° |
| C15 | C3 | N4 | 132.8° | 124.9° |
| C3 | C15 | H15 | 109.4° | 110.0° |
| C24 | C21 | C18 | 104.4° | 101.4° |
| C21 | C24 | H24 | 111.6° | 110.7° |
| C21 | C24 | H24A | 113.0° | 110.7° |
| C24 | C21 | H21 | 111.2° | 111.0° |
| C24 | C21 | H21A | 112.3° | 111.0° |
| C18 | C21 | H21 | 111.2° | 111.2° |
| C18 | C21 | H21A | 112.3° | 110.9° |
| C21 | C18 | H18 | 111.6° | 110.5° |
| C21 | C18 | H18A | 112.9° | 110.3° |
| O1 | C3 | N4 | 112.0° | 110.3° |
| C3 | O1 | C6 | 103.3° | 108.1° |
| C3 | N4 | C5 | 108.0° | 108.8° |
| O1 | C6 | C5 | 110.8° | 106.2° |
| O1 | C6 | C7 | 125.5° | 133.9° |
| C5 | C6 | C7 | 123.7° | 119.9° |
| C6 | C5 | N4 | 105.9° | 106.6° |
| C6 | C5 | C13 | 120.4° | 119.6° |
| C6 | C7 | C9 | 115.9° | 119.8° |
| C6 | C7 | H7 | 122.0° | 120.1° |
| N4 | C5 | C13 | 133.8° | 133.8° |
| C5 | C13 | C11 | 116.8° | 119.7° |
| C5 | C13 | H13 | 121.6° | 120.1° |
| C7 | C9 | C11 | 120.9° | 120.5° |
| C9 | C7 | H7 | 122.0° | 120.1° |
| C7 | C9 | H9 | 119.6° | 119.8° |
| C9 | C11 | C13 | 122.3° | 120.4° |
| C11 | C9 | H9 | 119.5° | 119.8° |
| C9 | C11 | H11 | 118.9° | 119.8° |
| C13 | C11 | H11 | 118.9° | 119.8° |
| C11 | C13 | H13 | 121.6° | 120.2° |
| H40 | C40 | H40A | 111.9° | 109.5° |
| H43 | C43 | H43A | 108.6° | 109.5° |
| H46 | C46 | H46A | 111.9° | 109.4° |
| H49 | C49 | H49A | 109.4° | 109.4° |
| H49 | C49 | H49B | 109.5° | 109.5° |
| H49A | C49 | H49B | 109.5° | 109.4° |
| H31 | C31 | H31A | 111.2° | 109.4° |
| H24 | C24 | H24A | 104.7° | 110.8° |
| H21 | C21 | H21A | 105.6° | 110.9° |
| H18 | C18 | H18A | 104.8° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | C29 | N17 | 177.3° | 179.7° |
| O28 | C27 | C29 | C40 | 62.9° | 0.0° |
| O28 | C27 | C29 | C31 | 57.9° | 120.0° |
| O28 | C27 | N17 | C15 | 0.8° | 0.0° |
| O28 | C27 | N17 | C18 | 178.8° | 179.7° |
| O28 | C27 | C29 | H29 | 179.9° | 120.0° |
| C27 | C29 | C40 | C31 | 118.3° | 120.0° |
| C27 | C29 | C40 | H29 | 119.6° | 120.0° |
| C27 | C29 | C31 | H29 | 119.7° | 119.9° |
| C27 | C29 | C40 | C43 | 57.5° | 66.6° |
| C27 | C29 | C31 | N34 | 169.9° | 176.8° |
| C29 | C27 | N17 | C15 | 178.1° | 179.7° |
| C29 | C27 | N17 | C18 | 1.5° | 0.6° |
| C27 | C29 | C40 | H40 | 177.5° | 173.3° |
| C27 | C29 | C40 | H40A | 61.2° | 53.3° |
| C27 | C29 | C31 | H31 | 49.9° | 56.8° |
| C27 | C29 | C31 | H31A | 71.1° | 63.2° |
| N17 | C27 | C29 | C40 | 119.8° | 179.7° |
| N17 | C27 | C29 | C31 | 119.4° | 60.3° |
| C27 | N17 | C15 | C18 | 179.7° | 179.7° |
| C27 | N17 | C15 | C24 | 171.8° | 179.0° |
| C27 | N17 | C15 | C3 | 72.6° | 59.6° |
| C27 | N17 | C18 | C21 | 166.0° | 155.8° |
| N17 | C27 | C29 | H29 | 2.8° | 59.7° |
| C27 | N17 | C15 | H15 | 48.6° | 61.6° |
| C27 | N17 | C18 | H18 | 74.0° | 85.2° |
| C27 | N17 | C18 | H18A | 43.7° | 37.1° |
| C40 | C29 | C31 | H29 | 117.0° | 120.0° |
| C29 | C40 | C43 | H40 | 120.0° | 120.0° |
| C29 | C40 | C43 | H40A | 118.7° | 119.9° |
| C29 | C40 | C43 | C46 | 178.4° | 175.4° |
| C40 | C29 | C31 | N34 | 66.8° | 63.1° |
| C29 | C40 | H40 | H40A | 118.7° | 120.0° |
| C29 | C40 | C43 | H43 | 58.4° | 55.4° |
| C29 | C40 | C43 | H43A | 61.1° | 64.6° |
| C40 | C29 | C31 | H31 | 173.1° | 176.8° |
| C40 | C29 | C31 | H31A | 52.2° | 56.9° |
| C31 | C29 | C40 | C43 | 175.8° | 173.3° |
| C29 | C31 | N34 | H31 | 120.0° | 120.1° |
| C29 | C31 | N34 | H31A | 119.1° | 120.0° |
| C29 | C31 | N34 | O35 | 73.4° | 104.1° |
| C29 | C31 | N34 | C37 | 106.7° | 76.0° |
| C31 | C29 | C40 | H40 | 64.2° | 53.3° |
| C31 | C29 | C40 | H40A | 57.1° | 66.7° |
| C29 | C31 | H31 | H31A | 119.1° | 120.0° |
| C40 | C43 | C46 | H43 | 120.0° | 120.1° |
| C40 | C43 | C46 | H43A | 120.5° | 120.0° |
| C40 | C43 | C46 | C49 | 172.2° | 179.9° |
| C43 | C40 | C29 | H29 | 62.1° | 53.3° |
| C43 | C40 | H40 | H40A | 118.7° | 120.0° |
| C40 | C43 | H43 | H43A | 120.5° | 120.0° |
| C40 | C43 | C46 | H46 | 67.8° | 60.0° |
| C40 | C43 | C46 | H46A | 53.6° | 60.0° |
| C43 | C46 | C49 | H46 | 120.0° | 120.0° |
| C43 | C46 | C49 | H46A | 118.6° | 120.1° |
| C46 | C43 | C40 | H40 | 61.6° | 64.6° |
| C46 | C43 | C40 | H40A | 59.7° | 55.5° |
| C46 | C43 | H43 | H43A | 120.5° | 119.9° |
| C43 | C46 | H46 | H46A | 118.7° | 120.0° |
| C43 | C46 | C49 | H49 | 25.0° | 180.0° |
| C43 | C46 | C49 | H49A | 94.9° | 60.0° |
| C43 | C46 | C49 | H49B | 145.1° | 60.0° |
| C49 | C46 | C43 | H43 | 52.3° | 60.0° |
| C49 | C46 | C43 | H43A | 67.3° | 60.0° |
| C49 | C46 | H46 | H46A | 118.7° | 120.0° |
| C46 | C49 | H49 | H49A | 120.0° | 120.0° |
| C46 | C49 | H49 | H49B | 120.0° | 120.1° |
| C46 | C49 | H49A | H49B | 120.0° | 120.1° |
| C31 | N34 | O35 | C37 | 179.9° | 179.9° |
| C31 | N34 | C37 | O39 | 168.1° | 180.0° |
| N34 | C31 | C29 | H29 | 50.2° | 56.9° |
| N34 | C31 | H31 | H31A | 119.1° | 120.0° |
| C31 | N34 | O35 | HO35 | 88.0° | 180.0° |
| C31 | N34 | C37 | H37 | 11.9° | 0.0° |
| O35 | N34 | C37 | O39 | 12.0° | 0.1° |
| O35 | N34 | C31 | H31 | 46.6° | 135.9° |
| O35 | N34 | C31 | H31A | 167.5° | 15.9° |
| O35 | N34 | C37 | H37 | 168.0° | 180.0° |
| N34 | C37 | O39 | H37 | 180.0° | 179.9° |
| C37 | N34 | C31 | H31 | 133.3° | 44.1° |
| C37 | N34 | C31 | H31A | 12.4° | 164.0° |
| C37 | N34 | O35 | HO35 | 92.1° | 0.1° |
| N17 | C15 | C24 | C3 | 116.5° | 119.4° |
| N17 | C15 | C24 | H15 | 122.4° | 119.4° |
| N17 | C15 | C3 | H15 | 122.7° | 121.1° |
| N17 | C15 | C24 | C21 | 26.9° | 22.2° |
| C15 | N17 | C18 | C21 | 14.3° | 24.4° |
| N17 | C15 | C3 | O1 | 143.1° | 135.0° |
| N17 | C15 | C3 | N4 | 36.0° | 45.3° |
| N17 | C15 | C24 | H24 | 146.9° | 140.5° |
| N17 | C15 | C24 | H24A | 95.4° | 96.2° |
| C15 | N17 | C18 | H18 | 105.7° | 94.5° |
| C15 | N17 | C18 | H18A | 136.6° | 143.2° |
| C18 | N17 | C15 | C24 | 7.9° | 1.3° |
| C18 | N17 | C15 | C3 | 107.7° | 120.7° |
| N17 | C18 | C21 | C24 | 30.9° | 37.3° |
| N17 | C18 | C21 | H18 | 120.0° | 118.9° |
| N17 | C18 | C21 | H18A | 122.3° | 118.8° |
| C18 | N17 | C15 | H15 | 131.1° | 118.1° |
| N17 | C18 | C21 | H21 | 89.2° | 80.7° |
| N17 | C18 | C21 | H21A | 152.8° | 155.3° |
| N17 | C18 | H18 | H18A | 122.5° | 122.3° |
| C24 | C15 | C3 | H15 | 123.4° | 121.1° |
| C15 | C24 | C21 | H24 | 120.0° | 118.4° |
| C15 | C24 | C21 | H24A | 122.3° | 118.4° |
| C15 | C24 | C21 | C18 | 35.8° | 35.7° |
| C24 | C15 | C3 | O1 | 103.0° | 107.2° |
| C24 | C15 | C3 | N4 | 77.9° | 72.5° |
| C15 | C24 | H24 | H24A | 122.6° | 123.3° |
| C15 | C24 | C21 | H21 | 84.2° | 82.5° |
| C15 | C24 | C21 | H21A | 157.7° | 153.6° |
| C3 | C15 | C24 | C21 | 89.6° | 97.2° |
| C15 | C3 | O1 | N4 | 179.3° | 179.7° |
| C15 | C3 | O1 | C6 | 179.8° | 180.0° |
| C15 | C3 | N4 | C5 | 179.6° | 179.8° |
| C3 | C15 | C24 | H24 | 30.4° | 21.1° |
| C3 | C15 | C24 | H24A | 148.1° | 144.4° |
| C24 | C21 | C18 | H21 | 120.0° | 118.0° |
| C24 | C21 | C18 | H21A | 121.9° | 118.0° |
| C21 | C24 | C15 | H15 | 149.3° | 141.6° |
| C21 | C24 | H24 | H24A | 122.5° | 123.2° |
| C24 | C21 | H21 | H21A | 122.1° | 123.9° |
| C24 | C21 | C18 | H18 | 89.1° | 81.6° |
| C24 | C21 | C18 | H18A | 153.1° | 156.1° |
| C18 | C21 | C24 | H24 | 155.8° | 154.0° |
| C18 | C21 | C24 | H24A | 86.5° | 82.7° |
| C18 | C21 | H21 | H21A | 122.1° | 124.0° |
| C21 | C18 | H18 | H18A | 122.5° | 122.3° |
| C3 | O1 | C6 | C5 | 0.2° | 0.0° |
| C3 | O1 | C6 | C7 | 180.0° | 180.0° |
| O1 | C3 | N4 | C5 | 1.2° | 0.4° |
| O1 | C3 | C15 | H15 | 20.4° | 13.9° |
| N4 | C3 | O1 | C6 | 0.9° | 0.3° |
| C3 | N4 | C5 | C6 | 1.0° | 0.4° |
| C3 | N4 | C5 | C13 | 179.7° | 179.9° |
| N4 | C3 | C15 | H15 | 158.7° | 166.4° |
| O1 | C6 | C5 | C7 | 179.8° | 180.0° |
| O1 | C6 | C5 | N4 | 0.5° | 0.3° |
| O1 | C6 | C5 | C13 | 179.4° | 180.0° |
| O1 | C6 | C7 | C9 | 179.8° | 180.0° |
| O1 | C6 | C7 | H7 | 0.2° | 0.0° |
| C6 | C5 | N4 | C13 | 178.7° | 179.7° |
| C5 | C6 | C7 | C9 | 0.0° | 0.0° |
| C6 | C5 | C13 | C11 | 0.9° | 0.0° |
| C5 | C6 | C7 | H7 | 180.0° | 180.0° |
| C6 | C5 | C13 | H13 | 179.1° | 180.0° |
| C7 | C6 | C5 | N4 | 179.3° | 179.7° |
| C7 | C6 | C5 | C13 | 0.5° | 0.0° |
| C6 | C7 | C9 | H7 | 180.0° | 180.0° |
| C6 | C7 | C9 | C11 | 0.0° | 0.1° |
| C6 | C7 | C9 | H9 | 180.0° | 180.0° |
| N4 | C5 | C13 | C11 | 179.4° | 179.7° |
| N4 | C5 | C13 | H13 | 0.6° | 0.4° |
| C5 | C13 | C11 | C9 | 0.9° | 0.1° |
| C5 | C13 | C11 | H13 | 180.0° | 180.0° |
| C5 | C13 | C11 | H11 | 179.1° | 180.0° |
| C7 | C9 | C11 | H9 | 180.0° | 180.0° |
| C7 | C9 | C11 | C13 | 0.5° | 0.1° |
| C7 | C9 | C11 | H11 | 179.5° | 180.0° |
| C9 | C11 | C13 | H11 | 180.0° | 179.9° |
| C11 | C9 | C7 | H7 | 180.0° | 179.9° |
| C9 | C11 | C13 | H13 | 179.1° | 180.0° |
| C13 | C11 | C9 | H9 | 179.5° | 179.9° |
| H29 | C29 | C40 | H40 | 57.9° | 66.7° |
| H29 | C29 | C40 | H40A | 179.2° | 173.3° |
| H29 | C29 | C31 | H31 | 69.8° | 63.2° |
| H29 | C29 | C31 | H31A | 169.2° | 176.9° |
| H40 | C40 | C43 | H43 | 178.4° | 175.4° |
| H40 | C40 | C43 | H43A | 58.9° | 55.4° |
| H40A | C40 | C43 | H43 | 60.3° | 64.5° |
| H40A | C40 | C43 | H43A | 179.8° | 175.4° |
| H43 | C43 | C46 | H46 | 172.3° | 180.0° |
| H43 | C43 | C46 | H46A | 66.4° | 60.1° |
| H43A | C43 | C46 | H46 | 52.7° | 60.0° |
| H43A | C43 | C46 | H46A | 174.1° | 180.0° |
| H46 | C46 | C49 | H49 | 145.1° | 60.0° |
| H46 | C46 | C49 | H49A | 25.1° | 180.0° |
| H46 | C46 | C49 | H49B | 94.9° | 60.0° |
| H46A | C46 | C49 | H49 | 93.6° | 59.9° |
| H46A | C46 | C49 | H49A | 146.4° | 60.0° |
| H46A | C46 | C49 | H49B | 26.4° | 180.0° |
| H49 | C49 | H49A | H49B | 120.0° | 119.9° |
| H15 | C15 | C24 | H24 | 90.7° | 100.1° |
| H15 | C15 | C24 | H24A | 27.0° | 23.2° |
| H24 | C24 | C21 | H21 | 35.8° | 35.8° |
| H24 | C24 | C21 | H21A | 82.3° | 88.0° |
| H24A | C24 | C21 | H21 | 153.5° | 159.1° |
| H24A | C24 | C21 | H21A | 35.4° | 35.2° |
| H21 | C21 | C18 | H18 | 150.8° | 160.4° |
| H21 | C21 | C18 | H18A | 33.1° | 38.0° |
| H21A | C21 | C18 | H18 | 32.8° | 36.4° |
| H21A | C21 | C18 | H18A | 85.0° | 85.9° |
| H7 | C7 | C9 | H9 | 0.0° | 0.0° |
| H9 | C9 | C11 | H11 | 0.5° | 0.0° |
| H11 | C11 | C13 | H13 | 0.9° | 0.0° |
