G40
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.56Å | |
| C1 | C15 | sing | 1.53Å | 1.59Å | |
| C1 | O22 | sing | 1.43Å | 1.43Å | |
| C1 | C23 | sing | 1.53Å | 1.55Å | |
| C2 | O3 | doub | 1.21Å | 1.23Å | |
| C2 | N4 | sing | 1.35Å | 1.35Å | |
| N4 | C5 | sing | 1.46Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.65Å | |
| C5 | C11 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.57Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | C13 | sing | 1.53Å | 1.53Å | |
| C9 | N10 | sing | 1.47Å | 1.47Å | |
| N10 | C11 | sing | 1.35Å | 1.36Å | |
| C11 | O12 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.51Å | 1.57Å | |
| C16 | C17 | sing | 1.38Å | 1.47Å | Aromatic |
| C16 | C21 | doub | 1.38Å | 1.46Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.45Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.46Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.45Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.45Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | N26 | sing | 1.47Å | 1.43Å | |
| N26 | C27 | sing | 1.47Å | 1.45Å | |
| N26 | N43 | sing | 1.37Å | 1.35Å | |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C28 | C29 | sing | 1.38Å | 1.45Å | Aromatic |
| C28 | C33 | doub | 1.38Å | 1.45Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.46Å | Aromatic |
| C31 | C32 | doub | 1.39Å | 1.46Å | Aromatic |
| C31 | C56 | sing | 1.48Å | 1.48Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.46Å | Aromatic |
| C35 | C41 | sing | 1.53Å | 1.58Å | |
| C35 | C45 | sing | 1.53Å | 1.53Å | |
| C35 | C46 | sing | 1.53Å | 1.51Å | |
| C35 | C47 | sing | 1.53Å | 1.52Å | |
| C36 | O37 | sing | 1.45Å | 1.43Å | |
| O37 | C38 | sing | 1.35Å | 1.42Å | |
| C38 | O39 | doub | 1.22Å | 1.23Å | |
| C38 | N40 | sing | 1.35Å | 1.33Å | |
| N40 | C41 | sing | 1.46Å | 1.48Å | |
| C41 | C42 | sing | 1.51Å | 1.53Å | |
| C42 | N43 | sing | 1.35Å | 1.35Å | |
| C42 | O44 | doub | 1.21Å | 1.25Å | |
| S54 | C55 | sing | 1.76Å | 1.77Å | Aromatic |
| S54 | C58 | sing | 1.76Å | 1.78Å | Aromatic |
| C55 | C56 | doub | 1.35Å | 1.44Å | Aromatic |
| C56 | C57 | sing | 1.39Å | 1.45Å | Aromatic |
| C57 | C58 | doub | 1.33Å | 1.42Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C7 | H73C | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C8 | H83C | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C9 | H93C | sing | 1.09Å | 1.10Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| N43 | H43 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H453 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| N40 | H40 | sing | 0.97Å | 1.00Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C58 | H58 | sing | 1.08Å | 1.08Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C15 | 106.9° | 109.5° |
| C2 | C1 | O22 | 111.1° | 109.4° |
| C2 | C1 | C23 | 118.5° | 109.5° |
| C1 | C2 | O3 | 122.5° | 120.0° |
| C1 | C2 | N4 | 114.2° | 120.0° |
| C15 | C1 | O22 | 107.3° | 109.5° |
| C15 | C1 | C23 | 110.2° | 109.5° |
| C1 | C15 | C16 | 115.1° | 109.5° |
| C1 | C15 | H151 | 107.6° | 109.5° |
| C1 | C15 | H152 | 106.4° | 109.5° |
| O22 | C1 | C23 | 102.3° | 109.5° |
| C1 | O22 | H22 | 109.5° | 114.0° |
| C1 | C23 | C24 | 116.2° | 109.5° |
| C1 | C23 | H231 | 107.3° | 109.5° |
| C1 | C23 | H232 | 105.8° | 109.4° |
| O3 | C2 | N4 | 123.3° | 120.0° |
| C2 | N4 | C5 | 130.3° | 120.0° |
| C2 | N4 | H4 | 114.8° | 120.0° |
| N4 | C5 | C6 | 118.7° | 109.4° |
| N4 | C5 | C11 | 105.1° | 109.5° |
| C5 | N4 | H4 | 114.8° | 120.0° |
| N4 | C5 | H5 | 107.0° | 109.5° |
| C6 | C5 | C11 | 111.7° | 109.5° |
| C5 | C6 | C7 | 112.3° | 109.5° |
| C5 | C6 | C8 | 112.5° | 109.5° |
| C5 | C6 | C13 | 111.7° | 109.5° |
| C6 | C5 | H5 | 99.8° | 109.4° |
| C5 | C11 | N10 | 108.0° | 120.0° |
| C5 | C11 | O12 | 127.2° | 120.0° |
| C11 | C5 | H5 | 114.8° | 109.4° |
| C7 | C6 | C8 | 105.8° | 109.5° |
| C7 | C6 | C13 | 108.1° | 109.5° |
| C6 | C7 | H71C | 109.5° | 109.5° |
| C6 | C7 | H72C | 109.4° | 109.5° |
| C6 | C7 | H73C | 109.5° | 109.4° |
| C8 | C6 | C13 | 105.9° | 109.4° |
| C6 | C8 | H81C | 109.5° | 109.5° |
| C6 | C8 | H82C | 109.5° | 109.4° |
| C6 | C8 | H83C | 109.5° | 109.4° |
| C6 | C13 | H131 | 109.5° | 109.5° |
| C6 | C13 | H132 | 109.5° | 109.6° |
| C6 | C13 | H133 | 109.5° | 109.5° |
| C9 | N10 | C11 | 126.4° | 120.0° |
| N10 | C9 | H91C | 109.5° | 109.5° |
| N10 | C9 | H92C | 109.5° | 109.4° |
| N10 | C9 | H93C | 109.4° | 109.5° |
| C9 | N10 | H10 | 116.8° | 120.0° |
| N10 | C11 | O12 | 124.7° | 120.0° |
| C11 | N10 | H10 | 116.8° | 120.0° |
| C15 | C16 | C17 | 118.3° | 120.0° |
| C15 | C16 | C21 | 122.6° | 120.0° |
| C16 | C15 | H151 | 107.7° | 109.5° |
| C16 | C15 | H152 | 106.3° | 109.4° |
| C17 | C16 | C21 | 119.1° | 120.0° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C16 | C17 | H17 | 119.9° | 120.1° |
| C16 | C21 | C20 | 120.7° | 120.0° |
| C16 | C21 | H21 | 119.7° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.0° |
| C18 | C17 | H17 | 119.9° | 119.9° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C20 | C21 | H21 | 119.7° | 120.0° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C23 | C24 | C25 | 113.1° | 109.5° |
| C24 | C23 | H231 | 107.3° | 109.5° |
| C24 | C23 | H232 | 105.8° | 109.5° |
| C23 | C24 | H241 | 108.3° | 109.5° |
| C23 | C24 | H242 | 107.4° | 109.5° |
| C24 | C25 | N26 | 110.4° | 109.5° |
| C25 | C24 | H241 | 108.3° | 109.5° |
| C25 | C24 | H242 | 107.4° | 109.5° |
| C24 | C25 | H251 | 109.1° | 109.5° |
| C24 | C25 | H252 | 109.0° | 109.5° |
| C25 | N26 | C27 | 110.0° | 111.0° |
| C25 | N26 | N43 | 108.4° | 111.0° |
| N26 | C25 | H251 | 109.2° | 109.5° |
| N26 | C25 | H252 | 108.9° | 109.5° |
| C27 | N26 | N43 | 107.9° | 111.0° |
| N26 | C27 | C28 | 116.4° | 109.4° |
| N26 | C27 | H271 | 107.2° | 109.5° |
| N26 | C27 | H272 | 105.6° | 109.4° |
| N26 | N43 | C42 | 123.3° | 120.0° |
| N26 | N43 | H43 | 118.4° | 120.0° |
| C27 | C28 | C29 | 118.6° | 119.9° |
| C27 | C28 | C33 | 120.4° | 119.9° |
| C28 | C27 | H271 | 107.2° | 109.5° |
| C28 | C27 | H272 | 105.7° | 109.5° |
| C29 | C28 | C33 | 121.0° | 120.2° |
| C28 | C29 | C30 | 119.8° | 120.1° |
| C28 | C29 | H29 | 120.1° | 119.9° |
| C28 | C33 | C32 | 119.3° | 120.1° |
| C28 | C33 | H33 | 120.4° | 119.9° |
| C29 | C30 | C31 | 120.2° | 119.9° |
| C30 | C29 | H29 | 120.1° | 120.0° |
| C29 | C30 | H30 | 119.9° | 120.1° |
| C30 | C31 | C32 | 120.2° | 119.8° |
| C30 | C31 | C56 | 117.4° | 120.1° |
| C31 | C30 | H30 | 119.9° | 120.0° |
| C32 | C31 | C56 | 122.4° | 120.1° |
| C31 | C32 | C33 | 119.4° | 119.8° |
| C31 | C32 | H32 | 120.3° | 120.1° |
| C31 | C56 | C55 | 123.9° | 122.8° |
| C31 | C56 | C57 | 125.0° | 122.8° |
| C32 | C33 | H33 | 120.3° | 119.9° |
| C33 | C32 | H32 | 120.3° | 120.1° |
| C41 | C35 | C45 | 108.7° | 109.5° |
| C41 | C35 | C46 | 112.8° | 109.4° |
| C41 | C35 | C47 | 112.3° | 109.4° |
| C35 | C41 | N40 | 113.1° | 109.5° |
| C35 | C41 | C42 | 124.0° | 109.4° |
| C35 | C41 | H41 | 93.0° | 109.5° |
| C45 | C35 | C46 | 105.2° | 109.5° |
| C45 | C35 | C47 | 106.2° | 109.5° |
| C35 | C45 | H451 | 109.5° | 109.5° |
| C35 | C45 | H452 | 109.5° | 109.4° |
| C35 | C45 | H453 | 109.4° | 109.5° |
| C46 | C35 | C47 | 111.1° | 109.4° |
| C35 | C46 | H461 | 109.5° | 109.5° |
| C35 | C46 | H462 | 109.5° | 109.5° |
| C35 | C46 | H463 | 109.5° | 109.5° |
| C35 | C47 | H471 | 109.5° | 109.4° |
| C35 | C47 | H472 | 109.5° | 109.5° |
| C35 | C47 | H473 | 109.5° | 109.5° |
| C36 | O37 | C38 | 119.2° | 117.0° |
| O37 | C36 | H361 | 109.5° | 109.5° |
| O37 | C36 | H362 | 109.5° | 109.5° |
| O37 | C36 | H363 | 109.5° | 109.5° |
| O37 | C38 | O39 | 124.0° | 120.0° |
| O37 | C38 | N40 | 108.7° | 120.0° |
| O39 | C38 | N40 | 127.3° | 120.0° |
| C38 | N40 | C41 | 124.8° | 120.0° |
| C38 | N40 | H40 | 117.6° | 120.0° |
| N40 | C41 | C42 | 96.4° | 109.5° |
| N40 | C41 | H41 | 122.1° | 109.5° |
| C41 | N40 | H40 | 117.6° | 120.0° |
| C41 | C42 | N43 | 116.4° | 120.0° |
| C41 | C42 | O44 | 120.8° | 120.0° |
| C42 | C41 | H41 | 110.6° | 109.5° |
| N43 | C42 | O44 | 122.8° | 120.0° |
| C42 | N43 | H43 | 118.3° | 120.0° |
| C55 | S54 | C58 | 89.3° | 91.2° |
| S54 | C55 | C56 | 113.7° | 109.5° |
| S54 | C55 | H55 | 123.2° | 125.2° |
| S54 | C58 | C57 | 113.7° | 110.0° |
| S54 | C58 | H58 | 123.2° | 125.0° |
| C55 | C56 | C57 | 111.1° | 114.5° |
| C56 | C55 | H55 | 123.2° | 125.2° |
| C56 | C57 | C58 | 112.2° | 114.9° |
| C56 | C57 | H57 | 123.9° | 122.6° |
| C57 | C58 | H58 | 123.1° | 125.0° |
| C58 | C57 | H57 | 123.9° | 122.5° |
| H151 | C15 | H152 | 114.0° | 109.5° |
| H231 | C23 | H232 | 114.9° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H71C | C7 | H73C | 109.4° | 109.5° |
| H72C | C7 | H73C | 109.5° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.5° |
| H81C | C8 | H83C | 109.4° | 109.5° |
| H82C | C8 | H83C | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.4° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H91C | C9 | H93C | 109.4° | 109.5° |
| H92C | C9 | H93C | 109.5° | 109.5° |
| H241 | C24 | H242 | 112.4° | 109.4° |
| H251 | C25 | H252 | 110.2° | 109.4° |
| H271 | C27 | H272 | 115.0° | 109.5° |
| H451 | C45 | H452 | 109.4° | 109.5° |
| H451 | C45 | H453 | 109.4° | 109.5° |
| H452 | C45 | H453 | 109.5° | 109.5° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H461 | C46 | H463 | 109.4° | 109.5° |
| H462 | C46 | H463 | 109.5° | 109.4° |
| H471 | C47 | H472 | 109.5° | 109.4° |
| H471 | C47 | H473 | 109.4° | 109.5° |
| H472 | C47 | H473 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.4° |
| H361 | C36 | H363 | 109.4° | 109.4° |
| H362 | C36 | H363 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C15 | O22 | 119.3° | 120.0° |
| C2 | C1 | C15 | C23 | 130.1° | 120.0° |
| C2 | C1 | O22 | C23 | 127.5° | 120.0° |
| C1 | C2 | O3 | N4 | 178.1° | 179.9° |
| C1 | C2 | N4 | C5 | 177.9° | 180.0° |
| C2 | C1 | C15 | C16 | 48.8° | 57.2° |
| C2 | C1 | C23 | C24 | 48.2° | 179.8° |
| C2 | C1 | C15 | H151 | 168.8° | 177.2° |
| C2 | C1 | C15 | H152 | 68.6° | 62.8° |
| C2 | C1 | O22 | H22 | 47.4° | 60.0° |
| C2 | C1 | C23 | H231 | 71.8° | 60.2° |
| C2 | C1 | C23 | H232 | 165.1° | 59.8° |
| C1 | C2 | N4 | H4 | 2.0° | 0.1° |
| C15 | C1 | O22 | C23 | 116.0° | 120.0° |
| C15 | C1 | C2 | O3 | 81.0° | 95.0° |
| C15 | C1 | C2 | N4 | 97.2° | 85.0° |
| C1 | C15 | C16 | H151 | 120.0° | 120.0° |
| C1 | C15 | C16 | H152 | 117.5° | 120.0° |
| C1 | C15 | C16 | C17 | 107.7° | 86.9° |
| C1 | C15 | C16 | C21 | 71.7° | 93.3° |
| C15 | C1 | C23 | C24 | 171.7° | 59.8° |
| C1 | C15 | H151 | H152 | 117.7° | 120.0° |
| C15 | C1 | O22 | H22 | 163.9° | 180.0° |
| C15 | C1 | C23 | H231 | 51.7° | 179.8° |
| C15 | C1 | C23 | H232 | 71.3° | 60.2° |
| O22 | C1 | C2 | O3 | 162.2° | 144.9° |
| O22 | C1 | C2 | N4 | 19.6° | 35.0° |
| O22 | C1 | C15 | C16 | 70.5° | 62.8° |
| O22 | C1 | C23 | C24 | 74.4° | 60.2° |
| O22 | C1 | C15 | H151 | 49.6° | 57.2° |
| O22 | C1 | C15 | H152 | 172.1° | 177.3° |
| O22 | C1 | C23 | H231 | 165.6° | 59.8° |
| O22 | C1 | C23 | H232 | 42.6° | 179.8° |
| C23 | C1 | C2 | O3 | 44.2° | 25.0° |
| C23 | C1 | C2 | N4 | 137.6° | 154.9° |
| C23 | C1 | C15 | C16 | 178.9° | 177.2° |
| C1 | C23 | C24 | H231 | 120.0° | 120.0° |
| C1 | C23 | C24 | H232 | 116.9° | 120.0° |
| C1 | C23 | C24 | C25 | 164.9° | 175.9° |
| C23 | C1 | C15 | H151 | 61.1° | 62.8° |
| C23 | C1 | C15 | H152 | 61.5° | 57.2° |
| C23 | C1 | O22 | H22 | 80.1° | 60.0° |
| C1 | C23 | H231 | H232 | 117.2° | 119.9° |
| C1 | C23 | C24 | H241 | 44.9° | 55.9° |
| C1 | C23 | C24 | H242 | 76.7° | 64.1° |
| O3 | C2 | N4 | C5 | 0.3° | 0.1° |
| O3 | C2 | N4 | H4 | 179.8° | 180.0° |
| C2 | N4 | C5 | H4 | 180.0° | 179.9° |
| C2 | N4 | C5 | C6 | 86.6° | 85.0° |
| C2 | N4 | C5 | C11 | 147.6° | 154.9° |
| C2 | N4 | C5 | H5 | 25.2° | 34.9° |
| N4 | C5 | C6 | C11 | 122.6° | 120.0° |
| N4 | C5 | C6 | H5 | 115.7° | 120.0° |
| N4 | C5 | C11 | H5 | 117.3° | 120.0° |
| N4 | C5 | C6 | C7 | 179.8° | 62.4° |
| N4 | C5 | C6 | C8 | 60.9° | 177.6° |
| N4 | C5 | C6 | C13 | 58.1° | 57.6° |
| N4 | C5 | C11 | N10 | 123.4° | 162.3° |
| N4 | C5 | C11 | O12 | 56.1° | 17.7° |
| C6 | C5 | C11 | H5 | 112.7° | 120.0° |
| C5 | C6 | C7 | C8 | 123.1° | 120.0° |
| C5 | C6 | C7 | C13 | 123.7° | 120.1° |
| C5 | C6 | C8 | C13 | 122.3° | 120.0° |
| C6 | C5 | C11 | N10 | 106.5° | 77.7° |
| C6 | C5 | C11 | O12 | 73.9° | 102.3° |
| C6 | C5 | N4 | H4 | 93.4° | 95.0° |
| C5 | C6 | C7 | H71C | 163.1° | 60.0° |
| C5 | C6 | C7 | H72C | 76.8° | 180.0° |
| C5 | C6 | C7 | H73C | 43.2° | 60.0° |
| C5 | C6 | C8 | H81C | 174.6° | 60.6° |
| C5 | C6 | C8 | H82C | 54.6° | 179.4° |
| C5 | C6 | C8 | H83C | 65.4° | 59.5° |
| C5 | C6 | C13 | H131 | 4.2° | 60.0° |
| C5 | C6 | C13 | H132 | 115.8° | 180.0° |
| C5 | C6 | C13 | H133 | 124.2° | 59.9° |
| C11 | C5 | C6 | C7 | 57.7° | 57.6° |
| C11 | C5 | C6 | C8 | 61.6° | 62.4° |
| C11 | C5 | C6 | C13 | 179.4° | 177.6° |
| C5 | C11 | N10 | C9 | 179.7° | 175.3° |
| C5 | C11 | N10 | O12 | 179.6° | 180.0° |
| C11 | C5 | N4 | H4 | 32.4° | 25.0° |
| C5 | C11 | N10 | H10 | 0.3° | 4.7° |
| C7 | C6 | C8 | C13 | 114.6° | 120.0° |
| C7 | C6 | C5 | H5 | 64.1° | 177.6° |
| C6 | C7 | H71C | H72C | 120.0° | 120.0° |
| C6 | C7 | H71C | H73C | 120.0° | 120.0° |
| C6 | C7 | H72C | H73C | 120.0° | 120.0° |
| C7 | C6 | C8 | H81C | 62.3° | 179.4° |
| C7 | C6 | C8 | H82C | 177.6° | 59.4° |
| C7 | C6 | C8 | H83C | 57.6° | 60.5° |
| C7 | C6 | C13 | H131 | 119.9° | 60.1° |
| C7 | C6 | C13 | H132 | 120.1° | 59.9° |
| C7 | C6 | C13 | H133 | 0.1° | 180.0° |
| C8 | C6 | C5 | H5 | 176.6° | 57.6° |
| C8 | C6 | C7 | H71C | 73.7° | 60.0° |
| C8 | C6 | C7 | H72C | 46.3° | 60.0° |
| C8 | C6 | C7 | H73C | 166.3° | 180.0° |
| C6 | C8 | H81C | H82C | 120.0° | 120.0° |
| C6 | C8 | H81C | H83C | 120.0° | 120.0° |
| C6 | C8 | H82C | H83C | 120.0° | 119.9° |
| C8 | C6 | C13 | H131 | 127.0° | 180.0° |
| C8 | C6 | C13 | H132 | 7.0° | 60.0° |
| C8 | C6 | C13 | H133 | 113.0° | 60.0° |
| C13 | C6 | C5 | H5 | 57.6° | 62.4° |
| C13 | C6 | C7 | H71C | 39.4° | 180.0° |
| C13 | C6 | C7 | H72C | 159.5° | 59.9° |
| C13 | C6 | C7 | H73C | 80.6° | 60.1° |
| C13 | C6 | C8 | H81C | 52.3° | 59.4° |
| C13 | C6 | C8 | H82C | 67.7° | 60.6° |
| C13 | C6 | C8 | H83C | 172.2° | 179.5° |
| C6 | C13 | H131 | H132 | 120.0° | 120.1° |
| C6 | C13 | H131 | H133 | 120.0° | 120.0° |
| C6 | C13 | H132 | H133 | 120.0° | 120.1° |
| C9 | N10 | C11 | H10 | 180.0° | 180.0° |
| C9 | N10 | C11 | O12 | 0.1° | 4.7° |
| N10 | C9 | H91C | H92C | 120.0° | 119.9° |
| N10 | C9 | H91C | H93C | 119.9° | 120.0° |
| N10 | C9 | H92C | H93C | 120.0° | 120.0° |
| N10 | C11 | C5 | H5 | 6.1° | 42.3° |
| C11 | N10 | C9 | H91C | 121.9° | 60.0° |
| C11 | N10 | C9 | H92C | 1.9° | 60.0° |
| C11 | N10 | C9 | H93C | 118.2° | 180.0° |
| O12 | C11 | C5 | H5 | 173.4° | 137.7° |
| O12 | C11 | N10 | H10 | 179.9° | 175.3° |
| C15 | C16 | C17 | C21 | 179.5° | 179.8° |
| C15 | C16 | C17 | C18 | 179.4° | 180.0° |
| C15 | C16 | C21 | C20 | 179.4° | 179.8° |
| C16 | C15 | H151 | H152 | 117.7° | 119.9° |
| C15 | C16 | C17 | H17 | 0.6° | 0.0° |
| C15 | C16 | C21 | H21 | 0.6° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C17 | C16 | C21 | C20 | 0.1° | 0.4° |
| C17 | C16 | C15 | H151 | 132.3° | 33.1° |
| C17 | C16 | C15 | H152 | 9.8° | 153.1° |
| C17 | C16 | C21 | H21 | 179.9° | 179.7° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C21 | C16 | C17 | C18 | 0.1° | 0.2° |
| C16 | C21 | C20 | C19 | 0.0° | 0.3° |
| C16 | C21 | C20 | H21 | 180.0° | 179.9° |
| C21 | C16 | C15 | H151 | 48.2° | 146.7° |
| C21 | C16 | C15 | H152 | 170.8° | 26.7° |
| C21 | C16 | C17 | H17 | 180.0° | 179.8° |
| C16 | C21 | C20 | H20 | 180.0° | 179.8° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.0° | 0.1° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.0° | 0.1° |
| C19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | H21 | 180.0° | 179.8° |
| C20 | C19 | C18 | H18 | 179.9° | 180.0° |
| C21 | C20 | C19 | H19 | 180.0° | 179.8° |
| C23 | C24 | C25 | H241 | 120.0° | 120.0° |
| C23 | C24 | C25 | H242 | 118.4° | 120.0° |
| C23 | C24 | C25 | N26 | 89.1° | 175.1° |
| C24 | C23 | H231 | H232 | 117.3° | 120.1° |
| C23 | C24 | H241 | H242 | 118.5° | 120.0° |
| C23 | C24 | C25 | H251 | 30.9° | 55.1° |
| C23 | C24 | C25 | H252 | 151.3° | 64.9° |
| C24 | C25 | N26 | H251 | 120.0° | 120.0° |
| C24 | C25 | N26 | H252 | 119.6° | 120.0° |
| C24 | C25 | N26 | C27 | 132.4° | 172.6° |
| C24 | C25 | N26 | N43 | 109.9° | 63.4° |
| C25 | C24 | C23 | H231 | 75.1° | 64.1° |
| C25 | C24 | C23 | H232 | 47.9° | 55.9° |
| C25 | C24 | H241 | H242 | 118.5° | 120.0° |
| C24 | C25 | H251 | H252 | 119.6° | 120.0° |
| C25 | N26 | C27 | N43 | 118.1° | 123.9° |
| C25 | N26 | C27 | C28 | 177.7° | 175.0° |
| C25 | N26 | N43 | C42 | 115.2° | 114.9° |
| N26 | C25 | C24 | H241 | 150.9° | 64.9° |
| N26 | C25 | C24 | H242 | 29.3° | 55.0° |
| N26 | C25 | H251 | H252 | 119.6° | 120.0° |
| C25 | N26 | C27 | H271 | 62.3° | 65.0° |
| C25 | N26 | C27 | H272 | 60.9° | 55.0° |
| C25 | N26 | N43 | H43 | 64.8° | 65.2° |
| N26 | C27 | C28 | H271 | 120.0° | 120.0° |
| N26 | C27 | C28 | H272 | 116.8° | 120.0° |
| N26 | C27 | C28 | C29 | 49.7° | 90.0° |
| N26 | C27 | C28 | C33 | 130.0° | 90.3° |
| C27 | N26 | N43 | C42 | 125.7° | 121.2° |
| C27 | N26 | C25 | H251 | 107.7° | 67.3° |
| C27 | N26 | C25 | H252 | 12.7° | 52.6° |
| N26 | C27 | H271 | H272 | 117.1° | 120.0° |
| C27 | N26 | N43 | H43 | 54.3° | 58.7° |
| N43 | N26 | C27 | C28 | 64.2° | 61.1° |
| N26 | N43 | C42 | C41 | 179.6° | 175.8° |
| N26 | N43 | C42 | H43 | 180.0° | 179.9° |
| N26 | N43 | C42 | O44 | 0.2° | 4.2° |
| N43 | N26 | C25 | H251 | 10.1° | 56.6° |
| N43 | N26 | C25 | H252 | 130.5° | 176.6° |
| N43 | N26 | C27 | H271 | 55.8° | 58.9° |
| N43 | N26 | C27 | H272 | 179.0° | 178.9° |
| C27 | C28 | C29 | C33 | 179.8° | 179.7° |
| C27 | C28 | C29 | C30 | 179.9° | 180.0° |
| C27 | C28 | C33 | C32 | 180.0° | 179.8° |
| C28 | C27 | H271 | H272 | 117.2° | 120.0° |
| C27 | C28 | C29 | H29 | 0.1° | 0.1° |
| C27 | C28 | C33 | H33 | 0.0° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.1° | 0.0° |
| C29 | C28 | C33 | C32 | 0.2° | 0.6° |
| C29 | C28 | C27 | H271 | 169.7° | 30.0° |
| C29 | C28 | C27 | H272 | 67.1° | 150.0° |
| C29 | C28 | C33 | H33 | 179.8° | 179.7° |
| C28 | C29 | C30 | H30 | 179.9° | 180.0° |
| C33 | C28 | C29 | C30 | 0.1° | 0.3° |
| C28 | C33 | C32 | C31 | 0.1° | 0.6° |
| C28 | C33 | C32 | H33 | 180.0° | 179.7° |
| C33 | C28 | C27 | H271 | 10.0° | 149.7° |
| C33 | C28 | C27 | H272 | 113.1° | 29.6° |
| C33 | C28 | C29 | H29 | 179.9° | 179.7° |
| C28 | C33 | C32 | H32 | 179.9° | 179.7° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.2° | 0.0° |
| C29 | C30 | C31 | C56 | 179.3° | 180.0° |
| C30 | C31 | C32 | C56 | 179.5° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.3° |
| C30 | C31 | C56 | C55 | 14.1° | 0.0° |
| C30 | C31 | C56 | C57 | 165.5° | 180.0° |
| C31 | C30 | C29 | H29 | 179.9° | 180.0° |
| C30 | C31 | C32 | H32 | 179.9° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.7° |
| C32 | C31 | C56 | C55 | 166.5° | 180.0° |
| C32 | C31 | C56 | C57 | 14.0° | 0.0° |
| C31 | C32 | C33 | H33 | 179.9° | 179.8° |
| C32 | C31 | C30 | H30 | 179.8° | 180.0° |
| C56 | C31 | C32 | C33 | 179.4° | 179.7° |
| C31 | C56 | C55 | S54 | 179.7° | 180.0° |
| C31 | C56 | C55 | C57 | 179.6° | 180.0° |
| C31 | C56 | C57 | C58 | 179.7° | 180.0° |
| C56 | C31 | C30 | H30 | 0.7° | 0.0° |
| C56 | C31 | C32 | H32 | 0.6° | 0.0° |
| C31 | C56 | C55 | H55 | 0.3° | 0.0° |
| C31 | C56 | C57 | H57 | 0.3° | 0.1° |
| C41 | C35 | C45 | C46 | 121.1° | 120.0° |
| C41 | C35 | C45 | C47 | 121.0° | 120.0° |
| C41 | C35 | C46 | C47 | 127.1° | 119.9° |
| C35 | C41 | N40 | C38 | 116.8° | 85.0° |
| C35 | C41 | N40 | C42 | 131.3° | 120.0° |
| C35 | C41 | N40 | H41 | 109.5° | 120.0° |
| C35 | C41 | C42 | H41 | 108.7° | 120.0° |
| C35 | C41 | C42 | N43 | 155.0° | 80.4° |
| C35 | C41 | C42 | O44 | 25.2° | 99.5° |
| C41 | C35 | C45 | H451 | 152.9° | 60.1° |
| C41 | C35 | C45 | H452 | 32.9° | 180.0° |
| C41 | C35 | C45 | H453 | 87.1° | 60.0° |
| C41 | C35 | C46 | H461 | 18.5° | 59.4° |
| C41 | C35 | C46 | H462 | 101.5° | 179.4° |
| C41 | C35 | C46 | H463 | 138.5° | 60.7° |
| C41 | C35 | C47 | H471 | 161.5° | 60.0° |
| C41 | C35 | C47 | H472 | 41.5° | 180.0° |
| C41 | C35 | C47 | H473 | 78.5° | 60.0° |
| C35 | C41 | N40 | H40 | 63.3° | 95.0° |
| C45 | C35 | C46 | C47 | 114.6° | 120.1° |
| C45 | C35 | C41 | N40 | 64.6° | 65.8° |
| C45 | C35 | C41 | C42 | 179.7° | 54.2° |
| C45 | C35 | C41 | H41 | 62.3° | 174.2° |
| C35 | C45 | H451 | H452 | 120.0° | 119.9° |
| C35 | C45 | H451 | H453 | 120.0° | 120.0° |
| C35 | C45 | H452 | H453 | 120.0° | 119.9° |
| C45 | C35 | C46 | H461 | 136.8° | 179.4° |
| C45 | C35 | C46 | H462 | 16.8° | 60.6° |
| C45 | C35 | C46 | H463 | 103.2° | 59.3° |
| C45 | C35 | C47 | H471 | 42.8° | 59.9° |
| C45 | C35 | C47 | H472 | 77.2° | 60.0° |
| C45 | C35 | C47 | H473 | 162.8° | 180.0° |
| C46 | C35 | C41 | N40 | 179.1° | 174.2° |
| C46 | C35 | C41 | C42 | 63.4° | 65.9° |
| C46 | C35 | C41 | H41 | 54.0° | 54.1° |
| C46 | C35 | C45 | H451 | 31.8° | 59.9° |
| C46 | C35 | C45 | H452 | 88.1° | 60.0° |
| C46 | C35 | C45 | H453 | 151.8° | 180.0° |
| C35 | C46 | H461 | H462 | 120.0° | 120.0° |
| C35 | C46 | H461 | H463 | 120.0° | 120.1° |
| C35 | C46 | H462 | H463 | 120.0° | 120.0° |
| C46 | C35 | C47 | H471 | 71.1° | 180.0° |
| C46 | C35 | C47 | H472 | 168.9° | 60.1° |
| C46 | C35 | C47 | H473 | 48.9° | 60.0° |
| C47 | C35 | C41 | N40 | 52.6° | 54.2° |
| C47 | C35 | C41 | C42 | 63.1° | 174.2° |
| C47 | C35 | C41 | H41 | 179.5° | 65.8° |
| C47 | C35 | C45 | H451 | 86.1° | 179.9° |
| C47 | C35 | C45 | H452 | 153.9° | 60.0° |
| C47 | C35 | C45 | H453 | 33.9° | 60.0° |
| C47 | C35 | C46 | H461 | 108.6° | 60.6° |
| C47 | C35 | C46 | H462 | 131.4° | 59.4° |
| C47 | C35 | C46 | H463 | 11.3° | 179.4° |
| C35 | C47 | H471 | H472 | 120.0° | 120.0° |
| C35 | C47 | H471 | H473 | 120.0° | 120.0° |
| C35 | C47 | H472 | H473 | 120.0° | 120.0° |
| C36 | O37 | C38 | O39 | 13.0° | 0.0° |
| C36 | O37 | C38 | N40 | 167.0° | 180.0° |
| O37 | C36 | H361 | H362 | 120.0° | 120.0° |
| O37 | C36 | H361 | H363 | 120.0° | 120.0° |
| O37 | C36 | H362 | H363 | 120.0° | 120.1° |
| O37 | C38 | O39 | N40 | 180.0° | 179.9° |
| O37 | C38 | N40 | C41 | 180.0° | 180.0° |
| C38 | O37 | C36 | H361 | 41.6° | 60.0° |
| C38 | O37 | C36 | H362 | 78.4° | 60.0° |
| C38 | O37 | C36 | H363 | 161.5° | 180.0° |
| O37 | C38 | N40 | H40 | 0.0° | 0.1° |
| O39 | C38 | N40 | C41 | 0.1° | 0.1° |
| O39 | C38 | N40 | H40 | 179.9° | 180.0° |
| C38 | N40 | C41 | H40 | 180.0° | 180.0° |
| C38 | N40 | C41 | C42 | 111.9° | 155.0° |
| C38 | N40 | C41 | H41 | 7.3° | 35.0° |
| N40 | C41 | C42 | H41 | 127.8° | 120.0° |
| N40 | C41 | C42 | N43 | 81.5° | 159.6° |
| N40 | C41 | C42 | O44 | 98.2° | 20.4° |
| C41 | C42 | N43 | O44 | 179.8° | 180.0° |
| C41 | C42 | N43 | H43 | 0.4° | 4.3° |
| C42 | C41 | N40 | H40 | 68.0° | 25.0° |
| N43 | C42 | C41 | H41 | 46.3° | 39.6° |
| O44 | C42 | N43 | H43 | 179.8° | 175.7° |
| O44 | C42 | C41 | H41 | 133.9° | 140.5° |
| S54 | C55 | C56 | H55 | 180.0° | 179.9° |
| S54 | C55 | C56 | C57 | 0.1° | 0.0° |
| C55 | S54 | C58 | C57 | 0.0° | 0.0° |
| C55 | S54 | C58 | H58 | 180.0° | 180.0° |
| C58 | S54 | C55 | C56 | 0.1° | 0.0° |
| S54 | C58 | C57 | C56 | 0.0° | 0.0° |
| S54 | C58 | C57 | H58 | 180.0° | 180.0° |
| C58 | S54 | C55 | H55 | 179.9° | 180.0° |
| S54 | C58 | C57 | H57 | 180.0° | 179.9° |
| C55 | C56 | C57 | C58 | 0.1° | 0.0° |
| C55 | C56 | C57 | H57 | 180.0° | 179.9° |
| C56 | C57 | C58 | H57 | 180.0° | 179.9° |
| C57 | C56 | C55 | H55 | 179.9° | 180.0° |
| C56 | C57 | C58 | H58 | 180.0° | 179.9° |
| H231 | C23 | C24 | H241 | 164.9° | 175.9° |
| H231 | C23 | C24 | H242 | 43.3° | 56.0° |
| H232 | C23 | C24 | H241 | 72.1° | 64.1° |
| H232 | C23 | C24 | H242 | 166.3° | 176.0° |
| H4 | N4 | C5 | H5 | 154.8° | 145.0° |
| H71C | C7 | H72C | H73C | 120.0° | 120.0° |
| H81C | C8 | H82C | H83C | 119.9° | 120.1° |
| H131 | C13 | H132 | H133 | 120.0° | 119.9° |
| H91C | C9 | H92C | H93C | 120.0° | 120.1° |
| H91C | C9 | N10 | H10 | 58.1° | 120.0° |
| H92C | C9 | N10 | H10 | 178.1° | 120.0° |
| H93C | C9 | N10 | H10 | 61.8° | 0.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
| H21 | C21 | C20 | H20 | 0.0° | 0.1° |
| H18 | C18 | C19 | H19 | 0.1° | 0.1° |
| H19 | C19 | C20 | H20 | 0.0° | 0.1° |
| H241 | C24 | C25 | H251 | 89.1° | 175.1° |
| H241 | C24 | C25 | H252 | 31.3° | 55.1° |
| H242 | C24 | C25 | H251 | 149.3° | 65.0° |
| H242 | C24 | C25 | H252 | 90.3° | 175.0° |
| H29 | C29 | C30 | H30 | 0.1° | 0.0° |
| H33 | C33 | C32 | H32 | 0.1° | 0.0° |
| H41 | C41 | N40 | H40 | 172.8° | 145.0° |
| H451 | C45 | H452 | H453 | 120.0° | 120.1° |
| H461 | C46 | H462 | H463 | 119.9° | 120.0° |
| H471 | C47 | H472 | H473 | 120.0° | 120.0° |
| H361 | C36 | H362 | H363 | 120.0° | 119.9° |
| H58 | C58 | C57 | H57 | 0.0° | 0.0° |
