V37
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C10 | sing | 1.49Å | 1.48Å | |
| N | C11 | sing | 1.49Å | 1.47Å | |
| N | C15 | sing | 1.47Å | 1.47Å | |
| C1 | O1 | sing | 1.35Å | 1.45Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C1 | O2 | doub | 1.22Å | 1.22Å | |
| O1 | C8 | sing | 1.45Å | 1.42Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C12 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.54Å | 1.53Å | |
| C10 | C14 | sing | 1.55Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C11 | C13 | sing | 1.55Å | 1.53Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N | C11 | 103.6° | 103.5° |
| C10 | N | C15 | 111.0° | 111.0° |
| N | C10 | C9 | 105.8° | 107.2° |
| N | C10 | C14 | 105.9° | 104.2° |
| N | C10 | H10 | 113.8° | 112.3° |
| C11 | N | C15 | 108.9° | 111.0° |
| N | C11 | C12 | 105.7° | 107.2° |
| N | C11 | C13 | 104.5° | 104.2° |
| N | C11 | H11 | 115.3° | 112.7° |
| N | C15 | C16 | 110.1° | 109.5° |
| N | C15 | H151 | 109.3° | 109.5° |
| N | C15 | H152 | 109.1° | 109.5° |
| O1 | C1 | C2 | 118.2° | 120.0° |
| O1 | C1 | O2 | 120.3° | 120.0° |
| C1 | O1 | C8 | 114.7° | 117.0° |
| C2 | C1 | O2 | 121.6° | 120.0° |
| C1 | C2 | C3 | 120.6° | 120.1° |
| C1 | C2 | C7 | 119.7° | 120.2° |
| O1 | C8 | C9 | 105.9° | 109.4° |
| O1 | C8 | C12 | 108.6° | 109.4° |
| O1 | C8 | H8 | 114.1° | 109.4° |
| C3 | C2 | C7 | 119.7° | 119.7° |
| C2 | C3 | C4 | 120.9° | 119.8° |
| C2 | C3 | H3 | 119.5° | 120.1° |
| C2 | C7 | C6 | 119.1° | 119.8° |
| C2 | C7 | H7 | 120.5° | 120.1° |
| C3 | C4 | C5 | 119.4° | 120.2° |
| C4 | C3 | H3 | 119.5° | 120.1° |
| C3 | C4 | H4 | 120.3° | 119.9° |
| C4 | C5 | C6 | 119.2° | 120.3° |
| C4 | C5 | H5 | 120.4° | 119.9° |
| C5 | C4 | H4 | 120.3° | 120.0° |
| C5 | C6 | C7 | 121.6° | 120.1° |
| C5 | C6 | H6 | 119.2° | 120.0° |
| C6 | C5 | H5 | 120.4° | 119.8° |
| C6 | C7 | H7 | 120.5° | 120.1° |
| C7 | C6 | H6 | 119.2° | 119.9° |
| C9 | C8 | C12 | 114.2° | 109.7° |
| C8 | C9 | C10 | 113.5° | 108.9° |
| C9 | C8 | H8 | 108.4° | 109.4° |
| C8 | C9 | H91C | 108.2° | 109.6° |
| C8 | C9 | H92C | 107.2° | 109.5° |
| C8 | C12 | C11 | 113.5° | 108.9° |
| C12 | C8 | H8 | 105.8° | 109.4° |
| C8 | C12 | H121 | 108.2° | 109.6° |
| C8 | C12 | H122 | 107.2° | 109.6° |
| C9 | C10 | C14 | 109.1° | 107.8° |
| C10 | C9 | H91C | 108.1° | 109.6° |
| C10 | C9 | H92C | 107.3° | 109.5° |
| C9 | C10 | H10 | 111.0° | 112.6° |
| C10 | C14 | C13 | 104.4° | 104.9° |
| C10 | C14 | H141 | 111.2° | 110.3° |
| C10 | C14 | H142 | 112.3° | 110.5° |
| C14 | C10 | H10 | 110.9° | 112.2° |
| C12 | C11 | C13 | 110.5° | 107.8° |
| C11 | C12 | H121 | 108.1° | 109.5° |
| C11 | C12 | H122 | 107.3° | 109.7° |
| C12 | C11 | H11 | 109.8° | 112.2° |
| C11 | C13 | C14 | 105.7° | 104.8° |
| C13 | C11 | H11 | 110.8° | 112.2° |
| C11 | C13 | H131 | 110.8° | 110.4° |
| C11 | C13 | H132 | 111.6° | 110.4° |
| C14 | C13 | H131 | 110.8° | 110.4° |
| C14 | C13 | H132 | 111.6° | 110.3° |
| C13 | C14 | H141 | 111.2° | 110.4° |
| C13 | C14 | H142 | 112.3° | 110.4° |
| C15 | C16 | C17 | 105.8° | 109.5° |
| C16 | C15 | H151 | 109.3° | 109.5° |
| C16 | C15 | H152 | 109.1° | 109.5° |
| C15 | C16 | H161 | 110.7° | 109.5° |
| C15 | C16 | H162 | 111.5° | 109.5° |
| C16 | C17 | C18 | 120.1° | 120.0° |
| C16 | C17 | C22 | 120.5° | 120.0° |
| C17 | C16 | H161 | 110.7° | 109.5° |
| C17 | C16 | H162 | 111.5° | 109.5° |
| C18 | C17 | C22 | 119.3° | 120.0° |
| C17 | C18 | C19 | 120.6° | 120.0° |
| C17 | C18 | H18 | 119.7° | 120.0° |
| C17 | C22 | C21 | 119.5° | 120.0° |
| C17 | C22 | H22 | 120.2° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C19 | C18 | H18 | 119.7° | 120.0° |
| C18 | C19 | H19 | 119.8° | 120.0° |
| C19 | C20 | C21 | 118.5° | 120.0° |
| C19 | C20 | H20 | 120.8° | 120.0° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| C20 | C21 | C22 | 121.6° | 120.0° |
| C20 | C21 | H21 | 119.2° | 120.0° |
| C21 | C20 | H20 | 120.8° | 120.0° |
| C21 | C22 | H22 | 120.2° | 120.0° |
| C22 | C21 | H21 | 119.2° | 120.0° |
| H121 | C12 | H122 | 112.7° | 109.5° |
| H91C | C9 | H92C | 112.6° | 109.7° |
| H131 | C13 | H132 | 106.6° | 110.4° |
| H141 | C14 | H142 | 105.6° | 110.3° |
| H151 | C15 | H152 | 109.9° | 109.4° |
| H161 | C16 | H162 | 106.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N | C11 | C15 | 118.2° | 119.1° |
| N | C10 | C9 | C8 | 54.4° | 64.0° |
| N | C10 | C9 | C14 | 113.6° | 111.7° |
| N | C10 | C9 | H10 | 124.0° | 124.0° |
| N | C10 | C14 | H10 | 124.0° | 121.7° |
| C10 | N | C11 | C12 | 77.5° | 72.5° |
| C10 | N | C11 | C13 | 39.2° | 41.6° |
| N | C10 | C14 | C13 | 21.5° | 25.1° |
| C10 | N | C15 | C16 | 76.8° | 170.0° |
| N | C10 | C9 | H91C | 174.4° | 176.1° |
| N | C10 | C9 | H92C | 63.9° | 55.8° |
| C10 | N | C11 | H11 | 161.1° | 163.5° |
| N | C10 | C14 | H141 | 141.5° | 93.7° |
| N | C10 | C14 | H142 | 100.4° | 144.1° |
| C10 | N | C15 | H151 | 163.2° | 70.0° |
| C10 | N | C15 | H152 | 43.0° | 49.9° |
| N | C11 | C12 | C8 | 54.5° | 64.0° |
| C11 | N | C10 | C9 | 77.6° | 72.5° |
| C11 | N | C10 | C14 | 38.1° | 41.6° |
| N | C11 | C12 | C13 | 112.5° | 111.7° |
| N | C11 | C12 | H11 | 125.0° | 124.3° |
| N | C11 | C13 | H11 | 124.8° | 122.3° |
| N | C11 | C13 | C14 | 25.7° | 25.2° |
| C11 | N | C15 | C16 | 169.8° | 75.5° |
| N | C11 | C12 | H121 | 65.6° | 55.8° |
| N | C11 | C12 | H122 | 172.7° | 176.0° |
| N | C11 | C13 | H131 | 94.3° | 93.6° |
| N | C11 | C13 | H132 | 147.1° | 144.0° |
| C11 | N | C10 | H10 | 160.2° | 163.3° |
| C11 | N | C15 | H151 | 49.7° | 44.5° |
| C11 | N | C15 | H152 | 70.5° | 164.4° |
| C15 | N | C10 | C9 | 165.6° | 168.3° |
| C15 | N | C10 | C14 | 78.6° | 77.6° |
| C15 | N | C11 | C12 | 164.3° | 168.4° |
| C15 | N | C11 | C13 | 79.0° | 77.5° |
| N | C15 | C16 | H151 | 120.0° | 120.0° |
| N | C15 | C16 | H152 | 119.7° | 120.1° |
| N | C15 | C16 | C17 | 170.5° | 180.0° |
| C15 | N | C11 | H11 | 42.9° | 44.4° |
| C15 | N | C10 | H10 | 43.5° | 44.1° |
| N | C15 | H151 | H152 | 119.7° | 120.0° |
| N | C15 | C16 | H161 | 69.6° | 60.0° |
| N | C15 | C16 | H162 | 49.1° | 59.9° |
| O1 | C1 | C2 | O2 | 179.3° | 179.7° |
| O1 | C1 | C2 | C3 | 171.6° | 180.0° |
| O1 | C1 | C2 | C7 | 9.0° | 0.3° |
| C1 | O1 | C8 | C9 | 100.3° | 150.0° |
| C1 | O1 | C8 | C12 | 136.6° | 89.7° |
| C1 | O1 | C8 | H8 | 18.9° | 30.1° |
| C2 | C1 | O1 | C8 | 164.8° | 180.0° |
| C1 | C2 | C3 | C7 | 179.3° | 179.7° |
| C1 | C2 | C3 | C4 | 179.0° | 179.8° |
| C1 | C2 | C7 | C6 | 179.4° | 180.0° |
| C1 | C2 | C7 | H7 | 0.6° | 0.1° |
| C1 | C2 | C3 | H3 | 1.0° | 0.0° |
| O2 | C1 | O1 | C8 | 15.9° | 0.3° |
| O2 | C1 | C2 | C3 | 7.7° | 0.3° |
| O2 | C1 | C2 | C7 | 171.6° | 180.0° |
| O1 | C8 | C9 | C12 | 119.4° | 120.1° |
| O1 | C8 | C9 | H8 | 122.9° | 119.8° |
| O1 | C8 | C12 | H8 | 122.9° | 119.8° |
| O1 | C8 | C9 | C10 | 86.7° | 66.1° |
| O1 | C8 | C12 | C11 | 85.3° | 66.1° |
| O1 | C8 | C12 | H121 | 154.7° | 174.1° |
| O1 | C8 | C12 | H122 | 32.9° | 53.9° |
| O1 | C8 | C9 | H91C | 33.2° | 53.8° |
| O1 | C8 | C9 | H92C | 155.0° | 174.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.3° | 0.5° |
| C3 | C2 | C7 | C6 | 1.3° | 0.3° |
| C3 | C2 | C7 | H7 | 178.8° | 179.8° |
| C2 | C3 | C4 | H4 | 179.7° | 179.7° |
| C7 | C2 | C3 | C4 | 1.6° | 0.6° |
| C2 | C7 | C6 | C5 | 0.4° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 179.9° |
| C7 | C2 | C3 | H3 | 178.4° | 179.7° |
| C2 | C7 | C6 | H6 | 179.5° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 1.4° | 0.2° |
| C3 | C4 | C5 | H5 | 178.6° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 1.8° | 0.1° |
| C5 | C4 | C3 | H3 | 179.7° | 179.7° |
| C4 | C5 | C6 | H6 | 178.2° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | H7 | 179.5° | 179.9° |
| C6 | C5 | C4 | H4 | 178.6° | 179.9° |
| C7 | C6 | C5 | H5 | 178.2° | 180.0° |
| C9 | C8 | C12 | H8 | 119.2° | 120.1° |
| C8 | C9 | C10 | H91C | 120.0° | 119.9° |
| C8 | C9 | C10 | H92C | 118.2° | 119.8° |
| C8 | C9 | C10 | C14 | 59.2° | 47.6° |
| C9 | C8 | C12 | C11 | 32.7° | 54.0° |
| C9 | C8 | C12 | H121 | 87.3° | 65.8° |
| C9 | C8 | C12 | H122 | 150.9° | 174.0° |
| C8 | C9 | H91C | H92C | 118.4° | 120.3° |
| C8 | C9 | C10 | H10 | 178.3° | 172.0° |
| C12 | C8 | C9 | C10 | 32.7° | 54.0° |
| C8 | C12 | C11 | H121 | 120.0° | 119.8° |
| C8 | C12 | C11 | H122 | 118.2° | 119.9° |
| C8 | C12 | C11 | C13 | 58.0° | 47.6° |
| C8 | C12 | H121 | H122 | 118.4° | 120.2° |
| C12 | C8 | C9 | H91C | 152.7° | 173.8° |
| C12 | C8 | C9 | H92C | 85.6° | 65.8° |
| C8 | C12 | C11 | H11 | 179.4° | 171.7° |
| C9 | C10 | C14 | H10 | 122.5° | 124.6° |
| C9 | C10 | C14 | C13 | 92.0° | 88.6° |
| C10 | C9 | C8 | H8 | 150.4° | 174.1° |
| C10 | C9 | H91C | H92C | 118.4° | 120.3° |
| C9 | C10 | C14 | H141 | 27.9° | 152.6° |
| C9 | C10 | C14 | H142 | 146.1° | 30.4° |
| C10 | C14 | C13 | C11 | 2.5° | 0.1° |
| C10 | C14 | C13 | H141 | 120.0° | 118.8° |
| C10 | C14 | C13 | H142 | 121.9° | 119.0° |
| C14 | C10 | C9 | H91C | 60.8° | 72.2° |
| C14 | C10 | C9 | H92C | 177.5° | 167.4° |
| C10 | C14 | C13 | H131 | 117.5° | 118.8° |
| C10 | C14 | C13 | H132 | 124.0° | 118.9° |
| C10 | C14 | H141 | H142 | 122.1° | 122.3° |
| C12 | C11 | C13 | H11 | 121.9° | 124.0° |
| C12 | C11 | C13 | C14 | 87.5° | 88.5° |
| C11 | C12 | C8 | H8 | 151.8° | 174.1° |
| C11 | C12 | H121 | H122 | 118.4° | 120.3° |
| C12 | C11 | C13 | H131 | 152.5° | 152.6° |
| C12 | C11 | C13 | H132 | 33.9° | 30.3° |
| C11 | C13 | C14 | H131 | 120.0° | 118.9° |
| C11 | C13 | C14 | H132 | 121.5° | 118.8° |
| C13 | C11 | C12 | H121 | 178.0° | 167.5° |
| C13 | C11 | C12 | H122 | 60.2° | 72.3° |
| C11 | C13 | H131 | H132 | 121.6° | 122.3° |
| C11 | C13 | C14 | H141 | 117.5° | 118.9° |
| C11 | C13 | C14 | H142 | 124.4° | 119.0° |
| C14 | C13 | C11 | H11 | 150.5° | 147.5° |
| C14 | C13 | H131 | H132 | 121.5° | 122.2° |
| C13 | C14 | H141 | H142 | 122.1° | 122.3° |
| C13 | C14 | C10 | H10 | 145.5° | 146.8° |
| C15 | C16 | C17 | H161 | 120.0° | 120.0° |
| C15 | C16 | C17 | H162 | 121.4° | 120.0° |
| C15 | C16 | C17 | C18 | 76.1° | 90.0° |
| C15 | C16 | C17 | C22 | 101.6° | 89.7° |
| C16 | C15 | H151 | H152 | 119.8° | 120.0° |
| C15 | C16 | H161 | H162 | 121.5° | 120.0° |
| C16 | C17 | C18 | C22 | 177.7° | 179.7° |
| C16 | C17 | C18 | C19 | 178.6° | 179.7° |
| C16 | C17 | C22 | C21 | 178.3° | 179.9° |
| C17 | C16 | C15 | H151 | 50.4° | 60.0° |
| C17 | C16 | C15 | H152 | 69.8° | 60.0° |
| C17 | C16 | H161 | H162 | 121.5° | 120.0° |
| C16 | C17 | C22 | H22 | 1.7° | 0.0° |
| C16 | C17 | C18 | H18 | 1.4° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.6° |
| C17 | C18 | C19 | C20 | 1.1° | 0.6° |
| C18 | C17 | C22 | C21 | 0.6° | 0.3° |
| C18 | C17 | C16 | H161 | 163.9° | 30.1° |
| C18 | C17 | C16 | H162 | 45.3° | 150.0° |
| C18 | C17 | C22 | H22 | 179.4° | 179.7° |
| C17 | C18 | C19 | H19 | 178.9° | 179.6° |
| C22 | C17 | C18 | C19 | 0.9° | 0.6° |
| C17 | C22 | C21 | C20 | 0.6° | 0.1° |
| C17 | C22 | C21 | H22 | 180.0° | 179.9° |
| C22 | C17 | C16 | H161 | 18.4° | 150.3° |
| C22 | C17 | C16 | H162 | 137.0° | 30.3° |
| C22 | C17 | C18 | H18 | 179.1° | 179.7° |
| C17 | C22 | C21 | H21 | 179.4° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 1.1° | 0.3° |
| C18 | C19 | C20 | H20 | 179.0° | 179.7° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.8° | 0.1° |
| C20 | C19 | C18 | H18 | 178.9° | 179.7° |
| C19 | C20 | C21 | H21 | 179.2° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | H22 | 179.4° | 180.0° |
| C21 | C20 | C19 | H19 | 178.9° | 180.0° |
| C22 | C21 | C20 | H20 | 179.2° | 179.9° |
| H7 | C7 | C6 | H6 | 0.5° | 0.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.0° |
| H6 | C6 | C5 | H5 | 1.8° | 0.1° |
| H5 | C5 | C4 | H4 | 1.4° | 0.0° |
| H8 | C8 | C12 | H121 | 31.8° | 54.3° |
| H8 | C8 | C12 | H122 | 89.9° | 65.9° |
| H8 | C8 | C9 | H91C | 89.6° | 66.1° |
| H8 | C8 | C9 | H92C | 32.1° | 54.3° |
| H121 | C12 | C11 | H11 | 59.4° | 68.5° |
| H122 | C12 | C11 | H11 | 62.3° | 51.7° |
| H91C | C9 | C10 | H10 | 61.6° | 52.1° |
| H92C | C9 | C10 | H10 | 60.1° | 68.2° |
| H11 | C11 | C13 | H131 | 30.5° | 28.6° |
| H11 | C11 | C13 | H132 | 88.0° | 93.7° |
| H131 | C13 | C14 | H141 | 122.5° | 0.0° |
| H131 | C13 | C14 | H142 | 4.4° | 122.1° |
| H132 | C13 | C14 | H141 | 4.0° | 122.3° |
| H132 | C13 | C14 | H142 | 114.1° | 0.1° |
| H141 | C14 | C10 | H10 | 94.5° | 28.0° |
| H142 | C14 | C10 | H10 | 23.6° | 94.2° |
| H151 | C15 | C16 | H161 | 170.4° | 180.0° |
| H151 | C15 | C16 | H162 | 70.9° | 60.1° |
| H152 | C15 | C16 | H161 | 50.2° | 60.1° |
| H152 | C15 | C16 | H162 | 168.8° | 180.0° |
| H22 | C22 | C21 | H21 | 0.6° | 0.1° |
| H18 | C18 | C19 | H19 | 1.1° | 0.0° |
| H21 | C21 | C20 | H20 | 0.8° | 0.0° |
| H20 | C20 | C19 | H19 | 1.0° | 0.0° |
