BIQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | C48 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | C45 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | O4 | sing | 1.45Å | 1.48Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O4 | C5 | sing | 1.35Å | 1.40Å | |
| C5 | N6 | sing | 1.35Å | 1.43Å | |
| C5 | O44 | doub | 1.22Å | 1.24Å | |
| N6 | C7 | sing | 1.46Å | 1.50Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C41 | sing | 1.54Å | 1.58Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | O9 | doub | 1.21Å | 1.21Å | |
| C8 | N10 | sing | 1.36Å | 1.36Å | |
| N10 | C11 | sing | 1.48Å | 1.47Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C16 | sing | 1.50Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | N14 | sing | 1.35Å | 1.33Å | |
| C13 | O15 | doub | 1.21Å | 1.24Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N14 | H142 | sing | 0.97Å | 1.00Å | |
| C16 | O17 | doub | 1.21Å | 1.22Å | |
| C16 | N18 | sing | 1.35Å | 1.37Å | |
| N18 | C19 | sing | 1.46Å | 1.46Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.49Å | |
| C19 | C26 | sing | 1.54Å | 1.56Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | O21 | doub | 1.21Å | 1.23Å | |
| C20 | N22 | sing | 1.35Å | 1.35Å | |
| N22 | C23 | sing | 1.46Å | 1.44Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | doub | 1.39Å | 1.43Å | Aromatic |
| C27 | C43 | sing | 1.38Å | 1.42Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | doub | 1.39Å | 1.41Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | O31 | sing | 1.35Å | 1.44Å | |
| C30 | C42 | sing | 1.39Å | 1.45Å | Aromatic |
| O31 | C32 | sing | 1.35Å | 1.46Å | |
| C32 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C37 | sing | 1.40Å | 1.47Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | C41 | sing | 1.51Å | 1.55Å | |
| C35 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | doub | 1.38Å | 1.44Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | N38 | sing | 1.48Å | 1.38Å | |
| N38 | O39 | doub | 1.22Å | 1.24Å | |
| N38 | O40 | sing | 1.22Å | 1.23Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | doub | 1.38Å | 1.43Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C45 | C46 | sing | 1.38Å | 1.41Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | doub | 1.38Å | 1.42Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | sing | 1.38Å | 1.42Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C48 | 120.2° | 120.0° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | C3 | 121.1° | 120.0° |
| C1 | C2 | C45 | 119.9° | 120.0° |
| C48 | C1 | H1 | 119.9° | 120.0° |
| C1 | C48 | C47 | 119.5° | 120.0° |
| C1 | C48 | H48 | 120.2° | 120.0° |
| C3 | C2 | C45 | 119.0° | 120.0° |
| C2 | C3 | O4 | 115.5° | 109.5° |
| C2 | C3 | H31 | 106.1° | 109.4° |
| C2 | C3 | H32 | 107.5° | 109.5° |
| C2 | C45 | C46 | 119.8° | 120.0° |
| C2 | C45 | H45 | 120.1° | 120.0° |
| O4 | C3 | H31 | 106.2° | 109.5° |
| O4 | C3 | H32 | 107.5° | 109.5° |
| C3 | O4 | C5 | 116.4° | 120.0° |
| H31 | C3 | H32 | 114.3° | 109.5° |
| O4 | C5 | N6 | 111.9° | 120.0° |
| O4 | C5 | O44 | 122.8° | 120.0° |
| N6 | C5 | O44 | 125.2° | 119.9° |
| C5 | N6 | C7 | 125.3° | 120.0° |
| C5 | N6 | HN6 | 117.4° | 120.0° |
| C7 | N6 | HN6 | 117.3° | 120.0° |
| N6 | C7 | C8 | 108.0° | 109.4° |
| N6 | C7 | C41 | 102.3° | 109.4° |
| N6 | C7 | H7 | 118.4° | 109.5° |
| C8 | C7 | C41 | 118.2° | 109.7° |
| C8 | C7 | H7 | 102.6° | 109.4° |
| C7 | C8 | O9 | 116.7° | 120.3° |
| C7 | C8 | N10 | 127.9° | 119.5° |
| C41 | C7 | H7 | 108.2° | 109.4° |
| C7 | C41 | C34 | 121.8° | 109.0° |
| C7 | C41 | H411 | 102.6° | 109.5° |
| C7 | C41 | H412 | 105.6° | 109.5° |
| O9 | C8 | N10 | 115.4° | 120.2° |
| C8 | N10 | C11 | 132.0° | 115.7° |
| C8 | N10 | HN10 | 114.0° | 122.1° |
| C11 | N10 | HN10 | 114.0° | 122.1° |
| N10 | C11 | C12 | 129.0° | 109.7° |
| N10 | C11 | C16 | 112.5° | 108.4° |
| N10 | C11 | H11 | 88.3° | 109.7° |
| C12 | C11 | C16 | 114.6° | 109.7° |
| C12 | C11 | H11 | 83.2° | 109.7° |
| C11 | C12 | C13 | 116.1° | 109.5° |
| C11 | C12 | H121 | 105.8° | 109.5° |
| C11 | C12 | H122 | 107.3° | 109.5° |
| C16 | C11 | H11 | 121.9° | 109.6° |
| C11 | C16 | O17 | 116.7° | 119.9° |
| C11 | C16 | N18 | 116.6° | 120.2° |
| C13 | C12 | H121 | 105.8° | 109.5° |
| C13 | C12 | H122 | 107.3° | 109.5° |
| C12 | C13 | N14 | 120.6° | 120.0° |
| C12 | C13 | O15 | 117.9° | 120.0° |
| H121 | C12 | H122 | 114.8° | 109.4° |
| N14 | C13 | O15 | 121.5° | 120.0° |
| C13 | N14 | H141 | 123.8° | 120.0° |
| C13 | N14 | H142 | 112.4° | 120.0° |
| H141 | N14 | H142 | 123.8° | 120.0° |
| O17 | C16 | N18 | 125.1° | 119.9° |
| C16 | N18 | C19 | 123.3° | 119.9° |
| C16 | N18 | HN18 | 118.4° | 120.0° |
| C19 | N18 | HN18 | 118.3° | 120.1° |
| N18 | C19 | C20 | 105.7° | 109.4° |
| N18 | C19 | C26 | 118.2° | 109.7° |
| N18 | C19 | H19 | 106.2° | 109.4° |
| C20 | C19 | C26 | 109.4° | 109.4° |
| C20 | C19 | H19 | 115.5° | 109.4° |
| C19 | C20 | O21 | 120.1° | 120.0° |
| C19 | C20 | N22 | 114.0° | 120.0° |
| C26 | C19 | H19 | 102.2° | 109.4° |
| C19 | C26 | C27 | 111.0° | 109.3° |
| C19 | C26 | H261 | 108.6° | 109.5° |
| C19 | C26 | H262 | 109.0° | 109.5° |
| O21 | C20 | N22 | 126.0° | 120.0° |
| C20 | N22 | C23 | 127.5° | 120.0° |
| C20 | N22 | HN22 | 116.2° | 120.0° |
| C23 | N22 | HN22 | 116.3° | 120.0° |
| N22 | C23 | C24 | 104.8° | 109.5° |
| N22 | C23 | H231 | 112.1° | 109.5° |
| N22 | C23 | H232 | 111.1° | 109.5° |
| C24 | C23 | H231 | 112.1° | 109.4° |
| C24 | C23 | H232 | 111.1° | 109.4° |
| C23 | C24 | C25 | 112.2° | 109.5° |
| C23 | C24 | H241 | 108.0° | 109.5° |
| C23 | C24 | H242 | 108.6° | 109.5° |
| H231 | C23 | H232 | 105.9° | 109.5° |
| C25 | C24 | H241 | 108.0° | 109.4° |
| C25 | C24 | H242 | 108.5° | 109.5° |
| C24 | C25 | H251 | 109.4° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.4° |
| C24 | C25 | H253 | 109.5° | 109.4° |
| H241 | C24 | H242 | 111.6° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| C27 | C26 | H261 | 108.6° | 109.5° |
| C27 | C26 | H262 | 109.0° | 109.5° |
| C26 | C27 | C28 | 120.9° | 119.5° |
| C26 | C27 | C43 | 120.0° | 120.3° |
| H261 | C26 | H262 | 110.7° | 109.6° |
| C28 | C27 | C43 | 119.1° | 120.2° |
| C27 | C28 | C29 | 121.4° | 120.1° |
| C27 | C28 | H28 | 119.3° | 119.9° |
| C27 | C43 | C42 | 119.9° | 119.8° |
| C27 | C43 | H43 | 120.0° | 120.0° |
| C29 | C28 | H28 | 119.3° | 120.0° |
| C28 | C29 | C30 | 120.2° | 119.8° |
| C28 | C29 | H29 | 119.9° | 120.1° |
| C30 | C29 | H29 | 119.9° | 120.1° |
| C29 | C30 | O31 | 119.0° | 121.1° |
| C29 | C30 | C42 | 119.2° | 119.4° |
| O31 | C30 | C42 | 121.0° | 119.5° |
| C30 | O31 | C32 | 111.0° | 112.3° |
| C30 | C42 | C43 | 120.2° | 120.5° |
| C30 | C42 | H42 | 119.9° | 119.8° |
| O31 | C32 | C33 | 117.8° | 122.3° |
| O31 | C32 | C37 | 122.7° | 118.3° |
| C33 | C32 | C37 | 118.8° | 119.4° |
| C32 | C33 | C34 | 122.8° | 120.7° |
| C32 | C33 | H33 | 118.6° | 119.6° |
| C32 | C37 | C36 | 117.8° | 119.2° |
| C32 | C37 | N38 | 123.1° | 120.4° |
| C34 | C33 | H33 | 118.6° | 119.7° |
| C33 | C34 | C35 | 118.2° | 120.1° |
| C33 | C34 | C41 | 122.0° | 120.5° |
| C35 | C34 | C41 | 119.7° | 119.4° |
| C34 | C35 | C36 | 121.3° | 119.1° |
| C34 | C35 | H35 | 119.3° | 120.5° |
| C34 | C41 | H411 | 102.7° | 109.6° |
| C34 | C41 | H412 | 105.5° | 109.6° |
| C36 | C35 | H35 | 119.3° | 120.4° |
| C35 | C36 | C37 | 121.1° | 121.5° |
| C35 | C36 | H36 | 119.5° | 119.3° |
| C37 | C36 | H36 | 119.4° | 119.2° |
| C36 | C37 | N38 | 119.0° | 120.4° |
| C37 | N38 | O39 | 117.4° | 120.0° |
| C37 | N38 | O40 | 119.4° | 120.0° |
| O39 | N38 | O40 | 123.3° | 120.0° |
| H411 | C41 | H412 | 119.8° | 109.6° |
| C43 | C42 | H42 | 119.9° | 119.8° |
| C42 | C43 | H43 | 120.1° | 120.2° |
| C46 | C45 | H45 | 120.1° | 120.0° |
| C45 | C46 | C47 | 120.2° | 120.0° |
| C45 | C46 | H46 | 119.9° | 120.0° |
| C47 | C46 | H46 | 119.9° | 120.0° |
| C46 | C47 | C48 | 120.3° | 120.0° |
| C46 | C47 | H47 | 119.8° | 120.0° |
| C48 | C47 | H47 | 119.8° | 120.0° |
| C47 | C48 | H48 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C48 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C45 | 179.5° | 179.8° |
| C1 | C2 | C3 | O4 | 98.1° | 89.9° |
| C1 | C2 | C3 | H31 | 144.5° | 30.1° |
| C1 | C2 | C3 | H32 | 21.9° | 150.0° |
| C1 | C2 | C45 | C46 | 0.3° | 0.4° |
| C1 | C2 | C45 | H45 | 179.7° | 179.9° |
| C2 | C1 | C48 | C47 | 0.4° | 0.0° |
| C2 | C1 | C48 | H48 | 179.6° | 180.0° |
| C48 | C1 | C2 | C3 | 179.8° | 180.0° |
| C48 | C1 | C2 | C45 | 0.2° | 0.2° |
| C1 | C48 | C47 | C46 | 0.6° | 0.0° |
| C1 | C48 | C47 | H48 | 180.0° | 180.0° |
| C1 | C48 | C47 | H47 | 179.4° | 179.9° |
| H1 | C1 | C2 | C3 | 0.2° | 0.0° |
| H1 | C1 | C2 | C45 | 179.8° | 179.8° |
| H1 | C1 | C48 | C47 | 179.6° | 180.0° |
| H1 | C1 | C48 | H48 | 0.4° | 0.0° |
| C2 | C3 | O4 | H31 | 117.3° | 120.0° |
| C2 | C3 | O4 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 118.3° | 120.0° |
| C2 | C3 | O4 | C5 | 78.5° | 180.0° |
| C3 | C2 | C45 | C46 | 179.8° | 179.8° |
| C3 | C2 | C45 | H45 | 0.2° | 0.1° |
| C45 | C2 | C3 | O4 | 81.4° | 90.2° |
| C45 | C2 | C3 | H31 | 35.9° | 149.8° |
| C45 | C2 | C3 | H32 | 158.6° | 29.8° |
| C2 | C45 | C46 | H45 | 180.0° | 179.7° |
| C2 | C45 | C46 | C47 | 0.5° | 0.4° |
| C2 | C45 | C46 | H46 | 179.5° | 179.8° |
| O4 | C3 | H31 | H32 | 118.4° | 120.0° |
| C3 | O4 | C5 | N6 | 173.9° | 179.9° |
| C3 | O4 | C5 | O44 | 1.3° | 0.0° |
| H31 | C3 | O4 | C5 | 164.2° | 60.0° |
| H32 | C3 | O4 | C5 | 41.5° | 60.0° |
| O4 | C5 | N6 | O44 | 175.1° | 179.9° |
| O4 | C5 | N6 | C7 | 175.7° | 180.0° |
| O4 | C5 | N6 | HN6 | 4.3° | 0.1° |
| C5 | N6 | C7 | HN6 | 180.0° | 179.9° |
| C5 | N6 | C7 | C8 | 66.7° | 84.8° |
| C5 | N6 | C7 | C41 | 58.7° | 155.0° |
| C5 | N6 | C7 | H7 | 177.5° | 35.0° |
| O44 | C5 | N6 | C7 | 0.6° | 0.1° |
| O44 | C5 | N6 | HN6 | 179.4° | 180.0° |
| N6 | C7 | C8 | C41 | 115.4° | 120.1° |
| N6 | C7 | C8 | H7 | 125.8° | 119.9° |
| N6 | C7 | C41 | H7 | 125.7° | 119.9° |
| N6 | C7 | C8 | O9 | 85.7° | 140.2° |
| N6 | C7 | C8 | N10 | 92.1° | 39.8° |
| N6 | C7 | C41 | C34 | 177.2° | 132.0° |
| N6 | C7 | C41 | H411 | 63.4° | 108.2° |
| N6 | C7 | C41 | H412 | 62.8° | 12.1° |
| HN6 | N6 | C7 | C8 | 113.3° | 95.2° |
| HN6 | N6 | C7 | C41 | 121.3° | 25.0° |
| HN6 | N6 | C7 | H7 | 2.5° | 144.9° |
| C8 | C7 | C41 | H7 | 115.9° | 120.0° |
| C7 | C8 | O9 | N10 | 178.1° | 180.0° |
| C7 | C8 | N10 | C11 | 8.7° | 178.4° |
| C7 | C8 | N10 | HN10 | 171.3° | 1.6° |
| C8 | C7 | C41 | C34 | 58.9° | 108.0° |
| C8 | C7 | C41 | H411 | 55.0° | 11.8° |
| C8 | C7 | C41 | H412 | 178.8° | 132.1° |
| C41 | C7 | C8 | O9 | 29.6° | 20.1° |
| C41 | C7 | C8 | N10 | 152.5° | 159.9° |
| C7 | C41 | C34 | C33 | 50.5° | 47.0° |
| C7 | C41 | C34 | C35 | 131.1° | 133.2° |
| C7 | C41 | C34 | H411 | 113.8° | 119.8° |
| C7 | C41 | C34 | H412 | 120.0° | 119.8° |
| C7 | C41 | H411 | H412 | 116.4° | 120.2° |
| H7 | C7 | C8 | O9 | 148.5° | 100.0° |
| H7 | C7 | C8 | N10 | 33.7° | 80.1° |
| H7 | C7 | C41 | C34 | 57.0° | 12.0° |
| H7 | C7 | C41 | H411 | 170.8° | 131.9° |
| H7 | C7 | C41 | H412 | 63.0° | 107.8° |
| O9 | C8 | N10 | C11 | 173.4° | 1.6° |
| O9 | C8 | N10 | HN10 | 6.6° | 178.4° |
| C8 | N10 | C11 | HN10 | 180.0° | 180.0° |
| C8 | N10 | C11 | C12 | 55.5° | 141.3° |
| C8 | N10 | C11 | C16 | 100.6° | 99.0° |
| C8 | N10 | C11 | H11 | 135.3° | 20.7° |
| N10 | C11 | C12 | C16 | 155.7° | 119.0° |
| N10 | C11 | C12 | H11 | 82.2° | 120.5° |
| N10 | C11 | C16 | H11 | 102.7° | 119.7° |
| N10 | C11 | C12 | C13 | 86.8° | 65.0° |
| N10 | C11 | C12 | H121 | 30.2° | 55.0° |
| N10 | C11 | C12 | H122 | 153.2° | 175.0° |
| N10 | C11 | C16 | O17 | 85.6° | 67.2° |
| N10 | C11 | C16 | N18 | 81.0° | 112.8° |
| HN10 | N10 | C11 | C12 | 124.5° | 38.7° |
| HN10 | N10 | C11 | C16 | 79.4° | 81.0° |
| HN10 | N10 | C11 | H11 | 44.7° | 159.3° |
| C12 | C11 | C16 | H11 | 97.6° | 120.5° |
| C11 | C12 | C13 | H121 | 117.0° | 120.0° |
| C11 | C12 | C13 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H122 | 118.1° | 120.0° |
| C11 | C12 | C13 | N14 | 53.7° | 180.0° |
| C11 | C12 | C13 | O15 | 127.0° | 0.0° |
| C12 | C11 | C16 | O17 | 74.1° | 52.6° |
| C12 | C11 | C16 | N18 | 119.3° | 127.4° |
| C16 | C11 | C12 | C13 | 117.5° | 176.0° |
| C16 | C11 | C12 | H121 | 125.5° | 63.9° |
| C16 | C11 | C12 | H122 | 2.5° | 56.0° |
| C11 | C16 | O17 | N18 | 165.4° | 180.0° |
| C11 | C16 | N18 | C19 | 169.4° | 174.1° |
| C11 | C16 | N18 | HN18 | 10.6° | 5.8° |
| H11 | C11 | C12 | C13 | 4.6° | 55.5° |
| H11 | C11 | C12 | H121 | 112.4° | 175.6° |
| H11 | C11 | C12 | H122 | 124.6° | 64.5° |
| H11 | C11 | C16 | O17 | 171.7° | 173.1° |
| H11 | C11 | C16 | N18 | 21.6° | 6.9° |
| C13 | C12 | H121 | H122 | 118.2° | 120.0° |
| C12 | C13 | N14 | O15 | 179.3° | 179.9° |
| C12 | C13 | N14 | H141 | 0.7° | 0.0° |
| C12 | C13 | N14 | H142 | 179.3° | 180.0° |
| H121 | C12 | C13 | N14 | 63.3° | 59.9° |
| H121 | C12 | C13 | O15 | 116.0° | 120.0° |
| H122 | C12 | C13 | N14 | 173.7° | 60.0° |
| H122 | C12 | C13 | O15 | 7.0° | 120.1° |
| C13 | N14 | H141 | H142 | 180.0° | 180.0° |
| O15 | C13 | N14 | H141 | 180.0° | 180.0° |
| O15 | C13 | N14 | H142 | 0.0° | 0.1° |
| O17 | C16 | N18 | C19 | 4.0° | 5.9° |
| O17 | C16 | N18 | HN18 | 176.0° | 174.2° |
| C16 | N18 | C19 | HN18 | 180.0° | 179.9° |
| C16 | N18 | C19 | C20 | 122.8° | 89.0° |
| C16 | N18 | C19 | C26 | 114.3° | 151.0° |
| C16 | N18 | C19 | H19 | 0.4° | 30.9° |
| N18 | C19 | C20 | C26 | 128.3° | 120.3° |
| N18 | C19 | C20 | H19 | 117.1° | 119.9° |
| N18 | C19 | C26 | H19 | 116.1° | 120.1° |
| N18 | C19 | C20 | O21 | 48.6° | 20.2° |
| N18 | C19 | C20 | N22 | 130.0° | 159.9° |
| N18 | C19 | C26 | C27 | 63.5° | 61.8° |
| N18 | C19 | C26 | H261 | 177.2° | 58.2° |
| N18 | C19 | C26 | H262 | 56.6° | 178.3° |
| HN18 | N18 | C19 | C20 | 57.2° | 91.1° |
| HN18 | N18 | C19 | C26 | 65.7° | 29.0° |
| HN18 | N18 | C19 | H19 | 179.6° | 149.0° |
| C20 | C19 | C26 | H19 | 122.9° | 119.9° |
| C19 | C20 | O21 | N22 | 178.4° | 179.9° |
| C19 | C20 | N22 | C23 | 179.1° | 180.0° |
| C19 | C20 | N22 | HN22 | 0.9° | 0.0° |
| C20 | C19 | C26 | C27 | 175.6° | 178.2° |
| C20 | C19 | C26 | H261 | 56.2° | 61.9° |
| C20 | C19 | C26 | H262 | 64.4° | 58.3° |
| C26 | C19 | C20 | O21 | 79.7° | 100.1° |
| C26 | C19 | C20 | N22 | 101.8° | 79.8° |
| C19 | C26 | C27 | H261 | 119.3° | 119.9° |
| C19 | C26 | C27 | H262 | 120.0° | 119.9° |
| C19 | C26 | H261 | H262 | 119.6° | 120.1° |
| C19 | C26 | C27 | C28 | 88.1° | 117.6° |
| C19 | C26 | C27 | C43 | 90.9° | 61.3° |
| H19 | C19 | C20 | O21 | 165.7° | 140.0° |
| H19 | C19 | C20 | N22 | 12.9° | 40.0° |
| H19 | C19 | C26 | C27 | 52.6° | 58.3° |
| H19 | C19 | C26 | H261 | 66.7° | 178.2° |
| H19 | C19 | C26 | H262 | 172.7° | 61.6° |
| O21 | C20 | N22 | C23 | 0.6° | 0.0° |
| O21 | C20 | N22 | HN22 | 179.4° | 180.0° |
| C20 | N22 | C23 | HN22 | 180.0° | 180.0° |
| C20 | N22 | C23 | C24 | 179.2° | 180.0° |
| C20 | N22 | C23 | H231 | 57.4° | 60.0° |
| C20 | N22 | C23 | H232 | 60.8° | 60.1° |
| N22 | C23 | C24 | H231 | 121.8° | 120.1° |
| N22 | C23 | C24 | H232 | 120.0° | 120.0° |
| N22 | C23 | H231 | H232 | 121.2° | 120.1° |
| N22 | C23 | C24 | C25 | 179.9° | 180.0° |
| N22 | C23 | C24 | H241 | 61.0° | 60.0° |
| N22 | C23 | C24 | H242 | 60.1° | 60.0° |
| HN22 | N22 | C23 | C24 | 0.8° | 0.0° |
| HN22 | N22 | C23 | H231 | 122.6° | 120.0° |
| HN22 | N22 | C23 | H232 | 119.2° | 120.0° |
| C24 | C23 | H231 | H232 | 121.3° | 119.9° |
| C23 | C24 | C25 | H241 | 118.8° | 120.0° |
| C23 | C24 | C25 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 119.3° | 120.0° |
| C23 | C24 | C25 | H251 | 103.8° | 60.0° |
| C23 | C24 | C25 | H252 | 16.2° | 60.0° |
| C23 | C24 | C25 | H253 | 136.2° | 180.0° |
| H231 | C23 | C24 | C25 | 58.4° | 60.0° |
| H231 | C23 | C24 | H241 | 177.2° | 179.9° |
| H231 | C23 | C24 | H242 | 61.6° | 60.1° |
| H232 | C23 | C24 | C25 | 59.9° | 60.0° |
| H232 | C23 | C24 | H241 | 59.0° | 60.0° |
| H232 | C23 | C24 | H242 | 179.9° | 180.0° |
| C25 | C24 | H241 | H242 | 119.2° | 120.0° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| H241 | C24 | C25 | H251 | 137.3° | 60.0° |
| H241 | C24 | C25 | H252 | 102.7° | 180.0° |
| H241 | C24 | C25 | H253 | 17.3° | 60.0° |
| H242 | C24 | C25 | H251 | 16.2° | 180.0° |
| H242 | C24 | C25 | H252 | 136.2° | 60.0° |
| H242 | C24 | C25 | H253 | 103.8° | 60.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| C27 | C26 | H261 | H262 | 119.6° | 120.1° |
| C26 | C27 | C28 | C43 | 179.1° | 178.9° |
| C26 | C27 | C28 | C29 | 178.7° | 178.0° |
| C26 | C27 | C28 | H28 | 1.3° | 2.0° |
| C26 | C27 | C43 | C42 | 178.5° | 177.7° |
| C26 | C27 | C43 | H43 | 1.5° | 2.3° |
| H261 | C26 | C27 | C28 | 31.2° | 2.3° |
| H261 | C26 | C27 | C43 | 149.7° | 178.8° |
| H262 | C26 | C27 | C28 | 151.8° | 122.5° |
| H262 | C26 | C27 | C43 | 29.1° | 58.6° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.6° | 0.3° |
| C27 | C28 | C29 | H29 | 179.4° | 179.6° |
| C28 | C27 | C43 | C42 | 0.5° | 3.4° |
| C28 | C27 | C43 | H43 | 179.5° | 176.6° |
| C43 | C27 | C28 | C29 | 0.4° | 3.1° |
| C43 | C27 | C28 | H28 | 179.6° | 176.9° |
| C27 | C43 | C42 | C30 | 0.2° | 0.3° |
| C27 | C43 | C42 | H43 | 180.0° | 180.0° |
| C27 | C43 | C42 | H42 | 179.8° | 179.6° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | O31 | 168.7° | 174.9° |
| C28 | C29 | C30 | C42 | 1.4° | 3.3° |
| H28 | C28 | C29 | C30 | 179.4° | 179.7° |
| H28 | C28 | C29 | H29 | 0.6° | 0.4° |
| C29 | C30 | O31 | C42 | 170.0° | 178.2° |
| C29 | C30 | O31 | C32 | 78.6° | 76.6° |
| C29 | C30 | C42 | C43 | 1.2° | 3.0° |
| C29 | C30 | C42 | H42 | 178.8° | 177.0° |
| H29 | C29 | C30 | O31 | 11.2° | 5.1° |
| H29 | C29 | C30 | C42 | 178.6° | 176.7° |
| C30 | O31 | C32 | C33 | 64.8° | 6.3° |
| C30 | O31 | C32 | C37 | 125.2° | 174.0° |
| O31 | C30 | C42 | C43 | 168.7° | 175.3° |
| O31 | C30 | C42 | H42 | 11.3° | 4.7° |
| C42 | C30 | O31 | C32 | 91.4° | 105.2° |
| C30 | C42 | C43 | H42 | 180.0° | 180.0° |
| C30 | C42 | C43 | H43 | 179.8° | 179.7° |
| O31 | C32 | C33 | C37 | 170.4° | 179.7° |
| O31 | C32 | C33 | C34 | 170.8° | 179.6° |
| O31 | C32 | C33 | H33 | 9.2° | 0.4° |
| O31 | C32 | C37 | C36 | 170.1° | 179.3° |
| O31 | C32 | C37 | N38 | 10.3° | 0.7° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.6° | 0.3° |
| C32 | C33 | C34 | C41 | 179.0° | 179.5° |
| C33 | C32 | C37 | C36 | 0.2° | 0.4° |
| C33 | C32 | C37 | N38 | 179.8° | 179.6° |
| C37 | C32 | C33 | C34 | 0.4° | 0.1° |
| C37 | C32 | C33 | H33 | 179.5° | 179.9° |
| C32 | C37 | C36 | C35 | 0.1° | 0.3° |
| C32 | C37 | C36 | N38 | 179.6° | 180.0° |
| C32 | C37 | C36 | H36 | 179.9° | 179.7° |
| C32 | C37 | N38 | O39 | 143.8° | 180.0° |
| C32 | C37 | N38 | O40 | 34.7° | 0.0° |
| C33 | C34 | C35 | C41 | 178.5° | 179.8° |
| C33 | C34 | C35 | C36 | 0.5° | 0.4° |
| C33 | C34 | C35 | H35 | 179.5° | 179.5° |
| C33 | C34 | C41 | H411 | 63.3° | 72.9° |
| C33 | C34 | C41 | H412 | 170.5° | 166.8° |
| H33 | C33 | C34 | C35 | 179.4° | 179.7° |
| H33 | C33 | C34 | C41 | 0.9° | 0.5° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.3° | 0.1° |
| C34 | C35 | C36 | H36 | 179.7° | 179.9° |
| C35 | C34 | C41 | H411 | 115.1° | 107.0° |
| C35 | C34 | C41 | H412 | 11.1° | 13.4° |
| C41 | C34 | C35 | C36 | 179.0° | 179.4° |
| C41 | C34 | C35 | H35 | 1.0° | 0.7° |
| C34 | C41 | H411 | H412 | 116.4° | 120.3° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | N38 | 179.7° | 179.7° |
| H35 | C35 | C36 | C37 | 179.7° | 179.8° |
| H35 | C35 | C36 | H36 | 0.3° | 0.2° |
| C36 | C37 | N38 | O39 | 35.8° | 0.0° |
| C36 | C37 | N38 | O40 | 145.7° | 180.0° |
| H36 | C36 | C37 | N38 | 0.3° | 0.3° |
| C37 | N38 | O39 | O40 | 178.5° | 179.9° |
| H42 | C42 | C43 | H43 | 0.2° | 0.4° |
| C45 | C46 | C47 | H46 | 180.0° | 179.8° |
| C45 | C46 | C47 | C48 | 0.6° | 0.2° |
| C45 | C46 | C47 | H47 | 179.4° | 179.9° |
| H45 | C45 | C46 | C47 | 179.5° | 179.9° |
| H45 | C45 | C46 | H46 | 0.5° | 0.1° |
| C46 | C47 | C48 | H47 | 180.0° | 180.0° |
| C46 | C47 | C48 | H48 | 179.4° | 180.0° |
| H46 | C46 | C47 | C48 | 179.4° | 180.0° |
| H46 | C46 | C47 | H47 | 0.6° | 0.1° |
| H47 | C47 | C48 | H48 | 0.6° | 0.1° |
