BTJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| N1 | C4 | sing | 1.47Å | 1.45Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | N5 | sing | 1.46Å | 1.46Å | |
| C2 | C3 | sing | 1.51Å | 1.57Å | |
| C2 | H56 | sing | 1.09Å | 1.10Å | |
| N2 | C10 | sing | 1.47Å | 1.52Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O2 | C5 | sing | 1.43Å | 1.41Å | |
| O2 | C6 | sing | 1.43Å | 1.37Å | |
| C3 | N1 | sing | 1.35Å | 1.37Å | |
| C3 | O1 | doub | 1.21Å | 1.11Å | |
| O3 | C8 | sing | 1.43Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| N5 | C39 | sing | 1.35Å | 1.14Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| N6 | C41 | sing | 1.47Å | 1.34Å | |
| N6 | HN6 | sing | 1.01Å | 1.00Å | |
| N6 | HN6A | sing | 1.01Å | 1.00Å | |
| C7 | O3 | sing | 1.43Å | 1.37Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | N2 | sing | 1.35Å | 1.47Å | |
| C9 | O4 | doub | 1.21Å | 1.21Å | |
| C10 | C25 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.51Å | 1.46Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| O10 | C49 | sing | 1.43Å | 1.38Å | |
| C11 | N3 | sing | 1.35Å | 25.89Å | |
| C11 | O6 | doub | 1.21Å | 25.89Å | |
| O11 | C40 | sing | 1.43Å | 1.27Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C25 | C12 | sing | 1.51Å | 24.30Å | |
| C39 | O9 | doub | 1.21Å | 1.23Å | |
| C39 | C40 | sing | 1.51Å | 1.46Å | |
| C40 | C41 | sing | 1.53Å | 1.41Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.49Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.51Å | 1.55Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C43 | C48 | doub | 1.38Å | 1.45Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.30Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.37Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | C46 | sing | 1.39Å | 1.33Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | O10 | sing | 1.36Å | 1.23Å | |
| C47 | C46 | doub | 1.39Å | 1.22Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | C47 | sing | 1.38Å | 1.34Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | sing | 1.51Å | 1.52Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C50 | C51 | doub | 1.38Å | 1.47Å | Aromatic |
| C50 | C55 | sing | 1.38Å | 1.48Å | Aromatic |
| C51 | C52 | sing | 1.38Å | 1.39Å | Aromatic |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C52 | C53 | doub | 1.38Å | 1.42Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C54 | C53 | sing | 1.38Å | 1.40Å | Aromatic |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | C54 | doub | 1.38Å | 1.33Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| N3 | C26 | sing | 1.46Å | 0.00Å | |
| N3 | H46 | sing | 0.97Å | 0.00Å | |
| C26 | C24 | sing | 1.51Å | 0.00Å | |
| C26 | C27 | sing | 1.53Å | 0.00Å | |
| C26 | H471 | sing | 1.09Å | 0.00Å | |
| C24 | O7 | doub | 1.21Å | 0.00Å | |
| C24 | N4 | sing | 1.35Å | 0.00Å | |
| N4 | H481 | sing | 0.97Å | 0.00Å | |
| N4 | H491 | sing | 0.97Å | 0.00Å | |
| C27 | C28 | sing | 1.53Å | 0.00Å | |
| C27 | H50 | sing | 1.09Å | 0.00Å | |
| C27 | H511 | sing | 1.09Å | 0.00Å | |
| C28 | C29 | sing | 1.53Å | 0.00Å | |
| C28 | H521 | sing | 1.09Å | 0.00Å | |
| C28 | H531 | sing | 1.09Å | 0.00Å | |
| C29 | C30 | sing | 1.53Å | 0.00Å | |
| C29 | H541 | sing | 1.09Å | 0.00Å | |
| C29 | H551 | sing | 1.09Å | 0.00Å | |
| C30 | N7 | sing | 1.47Å | 0.00Å | |
| C30 | H561 | sing | 1.09Å | 0.00Å | |
| C30 | H57 | sing | 1.09Å | 0.00Å | |
| N7 | C32 | sing | 1.35Å | 0.00Å | |
| N7 | H58 | sing | 0.97Å | 0.00Å | |
| C32 | C31 | sing | 1.51Å | 0.00Å | |
| C32 | O8 | doub | 1.21Å | 0.00Å | |
| C31 | C33 | sing | 1.53Å | 0.00Å | |
| C31 | H59 | sing | 1.09Å | 0.00Å | |
| C31 | H60 | sing | 1.09Å | 0.00Å | |
| C33 | C34 | sing | 1.53Å | 0.00Å | |
| C33 | H61 | sing | 1.09Å | 0.00Å | |
| C33 | H62 | sing | 1.09Å | 0.00Å | |
| C34 | C35 | sing | 1.47Å | 0.00Å | |
| C34 | H63 | sing | 1.09Å | 0.00Å | |
| C34 | H64 | sing | 1.09Å | 0.00Å | |
| C35 | C36 | trip | 1.17Å | 0.00Å | |
| C36 | H65 | sing | 1.05Å | 0.00Å | |
| C12 | C13 | sing | 1.38Å | 0.00Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 0.00Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 0.00Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 0.00Å | Aromatic |
| C15 | C18 | sing | 1.48Å | 0.00Å | |
| C16 | C17 | sing | 1.38Å | 0.00Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 0.00Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 0.00Å | |
| C18 | O5 | doub | 1.22Å | 0.00Å | |
| C19 | C20 | sing | 1.40Å | 0.00Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 0.00Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 0.00Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 0.00Å | Aromatic |
| C23 | C37 | sing | 1.38Å | 0.00Å | Aromatic |
| C37 | C19 | doub | 1.40Å | 0.00Å | Aromatic |
| C25 | H571 | sing | 1.09Å | 1.10Å | |
| C25 | H581 | sing | 1.09Å | 1.10Å | |
| C13 | H591 | sing | 1.08Å | 0.00Å | |
| C14 | H601 | sing | 1.08Å | 0.00Å | |
| C16 | H611 | sing | 1.08Å | 0.00Å | |
| C17 | H621 | sing | 1.08Å | 0.00Å | |
| C20 | H631 | sing | 1.08Å | 0.00Å | |
| C21 | H641 | sing | 1.08Å | 0.00Å | |
| C22 | H651 | sing | 1.08Å | 0.00Å | |
| C23 | H66 | sing | 1.08Å | 0.00Å | |
| C37 | H67 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.4° | 109.5° |
| C2 | C1 | H31 | 109.5° | 109.5° |
| C1 | C2 | N5 | 115.9° | 109.5° |
| C1 | C2 | C3 | 112.9° | 109.5° |
| C1 | C2 | H56 | 109.3° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H31 | 109.5° | 109.4° |
| H1A | C1 | H31 | 109.5° | 109.5° |
| C4 | N1 | HN1 | 115.0° | 120.0° |
| C4 | N1 | C3 | 129.9° | 120.0° |
| N1 | C4 | C5 | 105.3° | 109.5° |
| N1 | C4 | H4 | 110.9° | 109.5° |
| N1 | C4 | H4A | 110.9° | 109.4° |
| HN1 | N1 | C3 | 115.1° | 120.0° |
| N5 | C2 | C3 | 122.4° | 109.5° |
| N5 | C2 | H56 | 93.0° | 109.5° |
| C2 | N5 | C39 | 115.7° | 120.0° |
| C2 | N5 | HN5 | 122.1° | 120.0° |
| C3 | C2 | H56 | 98.2° | 109.5° |
| C2 | C3 | N1 | 114.4° | 120.0° |
| C2 | C3 | O1 | 121.2° | 120.0° |
| C10 | N2 | HN2 | 115.4° | 120.0° |
| C10 | N2 | C9 | 129.1° | 120.0° |
| N2 | C10 | C25 | 130.4° | 109.5° |
| N2 | C10 | C11 | 117.9° | 109.4° |
| N2 | C10 | H20 | 77.5° | 109.5° |
| HN2 | N2 | C9 | 115.4° | 120.0° |
| C5 | O2 | C6 | 113.4° | 114.0° |
| O2 | C5 | C4 | 112.7° | 109.4° |
| O2 | C5 | H5 | 108.4° | 109.5° |
| O2 | C5 | H5A | 108.4° | 109.4° |
| O2 | C6 | C7 | 112.2° | 109.5° |
| O2 | C6 | H6 | 108.5° | 109.5° |
| O2 | C6 | H6A | 108.6° | 109.5° |
| N1 | C3 | O1 | 124.5° | 120.0° |
| C8 | O3 | C7 | 129.9° | 114.0° |
| O3 | C8 | C9 | 125.8° | 109.5° |
| O3 | C8 | H8 | 104.4° | 109.5° |
| O3 | C8 | H8A | 104.4° | 109.5° |
| C5 | C4 | H4 | 110.9° | 109.5° |
| C5 | C4 | H4A | 110.9° | 109.4° |
| C4 | C5 | H5 | 108.4° | 109.5° |
| C4 | C5 | H5A | 108.4° | 109.5° |
| H4 | C4 | H4A | 108.0° | 109.5° |
| H5 | C5 | H5A | 110.5° | 109.5° |
| C39 | N5 | HN5 | 122.2° | 120.0° |
| N5 | C39 | O9 | 121.4° | 120.0° |
| N5 | C39 | C40 | 103.9° | 120.0° |
| C7 | C6 | H6 | 108.6° | 109.5° |
| C7 | C6 | H6A | 108.6° | 109.5° |
| C6 | C7 | O3 | 110.1° | 109.5° |
| C6 | C7 | H7 | 109.3° | 109.5° |
| C6 | C7 | H7A | 109.3° | 109.5° |
| H6 | C6 | H6A | 110.4° | 109.4° |
| C41 | N6 | HN6 | 109.5° | 111.0° |
| C41 | N6 | HN6A | 109.5° | 111.0° |
| N6 | C41 | C40 | 121.5° | 109.4° |
| N6 | C41 | C42 | 107.5° | 109.5° |
| N6 | C41 | H41 | 103.2° | 109.5° |
| HN6 | N6 | HN6A | 109.5° | 111.1° |
| O3 | C7 | H7 | 109.3° | 109.4° |
| O3 | C7 | H7A | 109.2° | 109.5° |
| H7 | C7 | H7A | 109.7° | 109.5° |
| C9 | C8 | H8 | 104.4° | 109.4° |
| C9 | C8 | H8A | 104.4° | 109.5° |
| C8 | C9 | N2 | 119.5° | 120.0° |
| C8 | C9 | O4 | 114.9° | 120.0° |
| H8 | C8 | H8A | 114.0° | 109.5° |
| N2 | C9 | O4 | 125.7° | 120.0° |
| C25 | C10 | C11 | 103.8° | 109.4° |
| C25 | C10 | H20 | 102.2° | 109.5° |
| C10 | C25 | C12 | 107.7° | 109.4° |
| C10 | C25 | H571 | 110.1° | 109.4° |
| C10 | C25 | H581 | 110.1° | 109.5° |
| C11 | C10 | H20 | 123.0° | 109.5° |
| C10 | C11 | N3 | 41.0° | 120.0° |
| C10 | C11 | O6 | 41.0° | 120.0° |
| C49 | O10 | C46 | 134.6° | 117.0° |
| O10 | C49 | C50 | 106.6° | 109.4° |
| O10 | C49 | H49 | 110.4° | 109.4° |
| O10 | C49 | H49A | 110.4° | 109.5° |
| N3 | C11 | O6 | 0.0° | 120.0° |
| C11 | N3 | C26 | 90.0° | 120.0° |
| C11 | N3 | H46 | 90.0° | 120.0° |
| C40 | O11 | HO11 | 109.5° | 114.1° |
| O11 | C40 | C39 | 119.9° | 109.4° |
| O11 | C40 | C41 | 111.7° | 109.5° |
| O11 | C40 | H40 | 98.2° | 109.5° |
| C25 | C12 | C13 | 90.0° | 119.9° |
| C25 | C12 | C17 | 90.0° | 119.8° |
| C12 | C25 | H571 | 110.1° | 109.4° |
| C12 | C25 | H581 | 110.1° | 109.5° |
| O9 | C39 | C40 | 134.6° | 120.0° |
| C39 | C40 | C41 | 102.2° | 109.5° |
| C39 | C40 | H40 | 108.5° | 109.5° |
| C41 | C40 | H40 | 117.2° | 109.5° |
| C40 | C41 | C42 | 112.2° | 109.5° |
| C40 | C41 | H41 | 97.4° | 109.4° |
| C42 | C41 | H41 | 114.6° | 109.5° |
| C41 | C42 | C43 | 114.6° | 109.4° |
| C41 | C42 | H42 | 107.8° | 109.4° |
| C41 | C42 | H42A | 107.8° | 109.5° |
| C43 | C42 | H42 | 107.8° | 109.5° |
| C43 | C42 | H42A | 107.8° | 109.5° |
| C42 | C43 | C48 | 128.3° | 120.0° |
| C42 | C43 | C44 | 122.2° | 119.9° |
| H42 | C42 | H42A | 111.1° | 109.5° |
| C48 | C43 | C44 | 109.5° | 120.1° |
| C43 | C48 | C47 | 131.1° | 120.1° |
| C43 | C48 | H48 | 114.5° | 120.0° |
| C43 | C44 | C45 | 115.2° | 120.1° |
| C43 | C44 | H44 | 122.4° | 120.0° |
| C45 | C44 | H44 | 122.4° | 120.0° |
| C44 | C45 | C46 | 132.9° | 119.9° |
| C44 | C45 | H45 | 113.6° | 120.0° |
| C46 | C45 | H45 | 113.6° | 120.1° |
| C45 | C46 | O10 | 116.9° | 120.1° |
| C45 | C46 | C47 | 115.1° | 119.9° |
| O10 | C46 | C47 | 127.7° | 120.0° |
| C46 | C47 | H47 | 121.9° | 120.0° |
| C46 | C47 | C48 | 116.1° | 120.0° |
| H47 | C47 | C48 | 121.9° | 120.0° |
| C47 | C48 | H48 | 114.4° | 120.0° |
| C50 | C49 | H49 | 110.4° | 109.5° |
| C50 | C49 | H49A | 110.5° | 109.4° |
| C49 | C50 | C51 | 123.3° | 120.0° |
| C49 | C50 | C55 | 118.7° | 120.1° |
| H49 | C49 | H49A | 108.5° | 109.6° |
| C51 | C50 | C55 | 117.7° | 120.0° |
| C50 | C51 | C52 | 118.6° | 120.0° |
| C50 | C51 | H51 | 120.7° | 120.0° |
| C50 | C55 | C54 | 119.8° | 120.0° |
| C50 | C55 | H55 | 120.1° | 119.9° |
| C52 | C51 | H51 | 120.7° | 120.0° |
| C51 | C52 | C53 | 121.0° | 120.0° |
| C51 | C52 | H52 | 119.5° | 120.0° |
| C53 | C52 | H52 | 119.5° | 120.0° |
| C52 | C53 | H53 | 120.0° | 120.0° |
| C52 | C53 | C54 | 120.0° | 120.0° |
| H53 | C53 | C54 | 120.0° | 120.0° |
| C53 | C54 | H54 | 118.6° | 120.0° |
| C53 | C54 | C55 | 122.7° | 120.0° |
| H54 | C54 | C55 | 118.7° | 120.0° |
| C54 | C55 | H55 | 120.1° | 120.0° |
| C26 | N3 | H46 | 90.0° | 120.0° |
| N3 | C26 | C24 | 90.0° | 109.5° |
| N3 | C26 | C27 | 90.0° | 109.5° |
| N3 | C26 | H471 | 90.0° | 109.5° |
| C24 | C26 | C27 | 90.0° | 109.4° |
| C24 | C26 | H471 | 90.0° | 109.4° |
| C26 | C24 | O7 | 90.0° | 120.0° |
| C26 | C24 | N4 | 90.0° | 120.0° |
| C27 | C26 | H471 | 90.0° | 109.5° |
| C26 | C27 | C28 | 90.0° | 109.5° |
| C26 | C27 | H50 | 90.0° | 109.4° |
| C26 | C27 | H511 | 90.0° | 109.5° |
| O7 | C24 | N4 | 90.0° | 120.0° |
| C24 | N4 | H481 | 90.0° | 120.0° |
| C24 | N4 | H491 | 90.0° | 120.0° |
| H481 | N4 | H491 | 90.0° | 120.0° |
| C28 | C27 | H50 | 90.0° | 109.4° |
| C28 | C27 | H511 | 90.0° | 109.5° |
| C27 | C28 | C29 | 90.0° | 109.5° |
| C27 | C28 | H521 | 90.0° | 109.5° |
| C27 | C28 | H531 | 90.0° | 109.5° |
| H50 | C27 | H511 | 90.0° | 109.5° |
| C29 | C28 | H521 | 90.0° | 109.4° |
| C29 | C28 | H531 | 90.0° | 109.5° |
| C28 | C29 | C30 | 90.0° | 109.4° |
| C28 | C29 | H541 | 90.0° | 109.5° |
| C28 | C29 | H551 | 90.0° | 109.5° |
| H521 | C28 | H531 | 90.0° | 109.5° |
| C30 | C29 | H541 | 90.0° | 109.4° |
| C30 | C29 | H551 | 90.0° | 109.5° |
| C29 | C30 | N7 | 90.0° | 109.4° |
| C29 | C30 | H561 | 90.0° | 109.5° |
| C29 | C30 | H57 | 90.0° | 109.5° |
| H541 | C29 | H551 | 90.0° | 109.5° |
| N7 | C30 | H561 | 90.0° | 109.4° |
| N7 | C30 | H57 | 90.0° | 109.5° |
| C30 | N7 | C32 | 90.0° | 120.0° |
| C30 | N7 | H58 | 90.0° | 120.1° |
| H561 | C30 | H57 | 90.0° | 109.5° |
| C32 | N7 | H58 | 90.0° | 120.0° |
| N7 | C32 | C31 | 90.0° | 120.0° |
| N7 | C32 | O8 | 90.0° | 120.0° |
| C31 | C32 | O8 | 90.0° | 120.1° |
| C32 | C31 | C33 | 90.0° | 109.5° |
| C32 | C31 | H59 | 90.0° | 109.5° |
| C32 | C31 | H60 | 90.0° | 109.5° |
| C33 | C31 | H59 | 90.0° | 109.5° |
| C33 | C31 | H60 | 90.0° | 109.4° |
| C31 | C33 | C34 | 90.0° | 109.5° |
| C31 | C33 | H61 | 90.0° | 109.5° |
| C31 | C33 | H62 | 90.0° | 109.4° |
| H59 | C31 | H60 | 90.0° | 109.5° |
| C34 | C33 | H61 | 90.0° | 109.5° |
| C34 | C33 | H62 | 90.0° | 109.5° |
| C33 | C34 | C35 | 90.0° | 109.5° |
| C33 | C34 | H63 | 90.0° | 109.5° |
| C33 | C34 | H64 | 90.0° | 109.5° |
| H61 | C33 | H62 | 90.0° | 109.4° |
| C35 | C34 | H63 | 90.0° | 109.4° |
| C35 | C34 | H64 | 90.0° | 109.5° |
| C34 | C35 | C36 | 90.0° | 179.9° |
| H63 | C34 | H64 | 90.0° | 109.4° |
| C35 | C36 | H65 | 90.0° | 179.9° |
| C12 | C13 | C14 | 90.0° | 120.1° |
| C13 | C12 | C17 | 90.0° | 120.3° |
| C12 | C13 | H591 | 90.0° | 119.9° |
| C13 | C14 | C15 | 90.0° | 119.9° |
| C14 | C13 | H591 | 90.0° | 120.0° |
| C13 | C14 | H601 | 90.0° | 120.0° |
| C14 | C15 | C16 | 90.0° | 119.7° |
| C14 | C15 | C18 | 90.0° | 120.1° |
| C15 | C14 | H601 | 90.0° | 120.1° |
| C16 | C15 | C18 | 90.0° | 120.2° |
| C15 | C16 | C17 | 90.0° | 119.9° |
| C15 | C16 | H611 | 90.0° | 120.0° |
| C15 | C18 | C19 | 90.0° | 120.0° |
| C15 | C18 | O5 | 90.0° | 120.0° |
| C16 | C17 | C12 | 90.0° | 120.2° |
| C17 | C16 | H611 | 90.0° | 120.1° |
| C16 | C17 | H621 | 90.0° | 119.9° |
| C12 | C17 | H621 | 90.0° | 119.9° |
| C19 | C18 | O5 | 90.0° | 119.9° |
| C18 | C19 | C20 | 90.0° | 120.2° |
| C18 | C19 | C37 | 90.0° | 120.1° |
| C19 | C20 | C21 | 90.0° | 119.9° |
| C20 | C19 | C37 | 90.0° | 119.7° |
| C19 | C20 | H631 | 90.0° | 120.1° |
| C20 | C21 | C22 | 90.0° | 120.1° |
| C21 | C20 | H631 | 90.0° | 120.0° |
| C20 | C21 | H641 | 90.0° | 120.0° |
| C21 | C22 | C23 | 90.0° | 120.3° |
| C22 | C21 | H641 | 90.0° | 119.9° |
| C21 | C22 | H651 | 90.0° | 119.8° |
| C22 | C23 | C37 | 90.0° | 120.2° |
| C23 | C22 | H651 | 90.0° | 119.9° |
| C22 | C23 | H66 | 90.0° | 119.9° |
| C23 | C37 | C19 | 90.0° | 119.8° |
| C37 | C23 | H66 | 90.0° | 119.9° |
| C23 | C37 | H67 | 90.0° | 120.1° |
| C19 | C37 | H67 | 90.0° | 120.1° |
| H571 | C25 | H581 | 108.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.1° |
| C2 | C1 | H1 | H31 | 120.0° | 120.0° |
| C2 | C1 | H1A | H31 | 120.0° | 120.0° |
| C1 | C2 | N5 | C3 | 145.2° | 120.0° |
| C1 | C2 | N5 | H56 | 113.1° | 120.0° |
| C1 | C2 | C3 | H56 | 115.0° | 120.0° |
| C1 | C2 | C3 | N1 | 67.1° | 60.0° |
| C1 | C2 | C3 | O1 | 114.6° | 120.0° |
| C1 | C2 | N5 | C39 | 156.4° | 85.0° |
| C1 | C2 | N5 | HN5 | 23.6° | 95.0° |
| H1 | C1 | H1A | H31 | 120.0° | 120.0° |
| H1 | C1 | C2 | N5 | 180.0° | 180.0° |
| H1 | C1 | C2 | C3 | 31.6° | 60.0° |
| H1 | C1 | C2 | H56 | 76.6° | 60.0° |
| H1A | C1 | C2 | N5 | 60.0° | 60.0° |
| H1A | C1 | C2 | C3 | 151.6° | 180.0° |
| H1A | C1 | C2 | H56 | 43.4° | 60.0° |
| H31 | C1 | C2 | N5 | 60.0° | 60.0° |
| H31 | C1 | C2 | C3 | 88.4° | 60.0° |
| H31 | C1 | C2 | H56 | 163.4° | 180.0° |
| C4 | N1 | HN1 | C3 | 180.0° | 179.9° |
| C4 | N1 | C3 | C2 | 168.6° | 180.0° |
| N1 | C4 | C5 | O2 | 37.9° | 65.0° |
| C4 | N1 | C3 | O1 | 13.2° | 0.1° |
| N1 | C4 | C5 | H4 | 120.0° | 120.1° |
| N1 | C4 | C5 | H4A | 120.0° | 119.9° |
| N1 | C4 | H4 | H4A | 121.7° | 120.0° |
| N1 | C4 | C5 | H5 | 82.1° | 55.0° |
| N1 | C4 | C5 | H5A | 157.8° | 175.0° |
| HN1 | N1 | C3 | C2 | 11.4° | 0.1° |
| HN1 | N1 | C3 | O1 | 166.8° | 180.0° |
| HN1 | N1 | C4 | C5 | 105.0° | 0.1° |
| HN1 | N1 | C4 | H4 | 15.0° | 120.0° |
| HN1 | N1 | C4 | H4A | 135.0° | 120.0° |
| N5 | C2 | C3 | H56 | 98.9° | 120.0° |
| N5 | C2 | C3 | N1 | 146.8° | 180.0° |
| N5 | C2 | C3 | O1 | 31.5° | 0.0° |
| C2 | N5 | C39 | HN5 | 180.0° | 180.0° |
| C2 | N5 | C39 | O9 | 13.2° | 0.1° |
| C2 | N5 | C39 | C40 | 164.0° | 180.0° |
| C2 | C3 | N1 | O1 | 178.3° | 180.0° |
| C3 | C2 | N5 | C39 | 58.4° | 155.0° |
| C3 | C2 | N5 | HN5 | 121.6° | 25.0° |
| H56 | C2 | C3 | N1 | 47.9° | 60.0° |
| H56 | C2 | C3 | O1 | 130.4° | 120.0° |
| H56 | C2 | N5 | C39 | 43.3° | 35.0° |
| H56 | C2 | N5 | HN5 | 136.7° | 145.0° |
| C10 | N2 | HN2 | C9 | 180.0° | 179.9° |
| C10 | N2 | C9 | C8 | 91.9° | 180.0° |
| C10 | N2 | C9 | O4 | 86.6° | 0.1° |
| N2 | C10 | C25 | C11 | 147.4° | 120.0° |
| N2 | C10 | C25 | H20 | 83.8° | 120.1° |
| N2 | C10 | C11 | H20 | 92.9° | 120.0° |
| N2 | C10 | C11 | N3 | 78.5° | 180.0° |
| N2 | C10 | C11 | O6 | 78.5° | 0.0° |
| N2 | C10 | C25 | C12 | 12.2° | 65.0° |
| N2 | C10 | C25 | H571 | 132.2° | 55.0° |
| N2 | C10 | C25 | H581 | 107.8° | 175.0° |
| HN2 | N2 | C9 | C8 | 88.1° | 0.1° |
| HN2 | N2 | C9 | O4 | 93.5° | 180.0° |
| HN2 | N2 | C10 | C25 | 64.1° | 94.9° |
| HN2 | N2 | C10 | C11 | 79.5° | 25.1° |
| HN2 | N2 | C10 | H20 | 159.6° | 145.0° |
| O2 | C5 | C4 | H5 | 120.0° | 120.0° |
| O2 | C5 | C4 | H5A | 120.0° | 119.9° |
| O2 | C5 | C4 | H4 | 82.1° | 55.0° |
| O2 | C5 | C4 | H4A | 157.9° | 175.0° |
| O2 | C5 | H5 | H5A | 118.7° | 120.0° |
| C5 | O2 | C6 | C7 | 145.5° | 180.0° |
| C5 | O2 | C6 | H6 | 94.5° | 60.0° |
| C5 | O2 | C6 | H6A | 25.5° | 60.0° |
| C6 | O2 | C5 | C4 | 108.1° | 180.0° |
| C6 | O2 | C5 | H5 | 131.9° | 60.0° |
| C6 | O2 | C5 | H5A | 11.9° | 60.0° |
| O2 | C6 | C7 | H6 | 120.0° | 120.0° |
| O2 | C6 | C7 | H6A | 120.0° | 120.0° |
| O2 | C6 | H6 | H6A | 118.9° | 120.0° |
| O2 | C6 | C7 | O3 | 66.4° | 65.0° |
| O2 | C6 | C7 | H7 | 53.6° | 54.9° |
| O2 | C6 | C7 | H7A | 173.6° | 175.0° |
| C3 | N1 | C4 | C5 | 75.0° | 180.0° |
| C3 | N1 | C4 | H4 | 165.0° | 59.9° |
| C3 | N1 | C4 | H4A | 45.0° | 60.1° |
| C8 | O3 | C7 | C6 | 108.6° | 180.0° |
| C8 | O3 | C7 | H7 | 131.4° | 60.0° |
| C8 | O3 | C7 | H7A | 11.4° | 60.0° |
| O3 | C8 | C9 | H8 | 120.0° | 120.0° |
| O3 | C8 | C9 | H8A | 120.0° | 120.1° |
| O3 | C8 | H8 | H8A | 113.3° | 120.1° |
| O3 | C8 | C9 | N2 | 114.0° | 180.0° |
| O3 | C8 | C9 | O4 | 67.3° | 0.0° |
| C5 | C4 | H4 | H4A | 121.7° | 120.0° |
| C4 | C5 | H5 | H5A | 118.7° | 120.0° |
| H4 | C4 | C5 | H5 | 157.9° | 175.0° |
| H4 | C4 | C5 | H5A | 37.8° | 64.9° |
| H4A | C4 | C5 | H5 | 37.9° | 65.0° |
| H4A | C4 | C5 | H5A | 82.2° | 55.1° |
| N5 | C39 | C40 | O11 | 69.2° | 175.0° |
| N5 | C39 | O9 | C40 | 176.2° | 180.0° |
| N5 | C39 | C40 | C41 | 166.7° | 65.0° |
| N5 | C39 | C40 | H40 | 42.3° | 55.0° |
| HN5 | N5 | C39 | O9 | 166.8° | 180.0° |
| HN5 | N5 | C39 | C40 | 16.0° | 0.0° |
| C7 | C6 | H6 | H6A | 118.9° | 120.0° |
| C6 | C7 | O3 | H7 | 120.0° | 120.0° |
| C6 | C7 | O3 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7A | 119.8° | 120.0° |
| H6 | C6 | C7 | O3 | 173.6° | 55.0° |
| H6 | C6 | C7 | H7 | 66.4° | 175.0° |
| H6 | C6 | C7 | H7A | 53.6° | 65.0° |
| H6A | C6 | C7 | O3 | 53.6° | 175.0° |
| H6A | C6 | C7 | H7 | 173.6° | 65.1° |
| H6A | C6 | C7 | H7A | 66.4° | 55.0° |
| C41 | N6 | HN6 | HN6A | 120.0° | 124.0° |
| N6 | C41 | C40 | O11 | 19.2° | 65.0° |
| N6 | C41 | C40 | C39 | 110.3° | 55.0° |
| N6 | C41 | C40 | C42 | 129.1° | 120.0° |
| N6 | C41 | C40 | H41 | 110.5° | 120.0° |
| N6 | C41 | C40 | H40 | 131.4° | 175.0° |
| N6 | C41 | C42 | H41 | 114.1° | 120.0° |
| N6 | C41 | C42 | C43 | 70.3° | 65.0° |
| N6 | C41 | C42 | H42 | 169.7° | 175.0° |
| N6 | C41 | C42 | H42A | 49.8° | 55.0° |
| HN6 | N6 | C41 | C40 | 180.0° | 60.1° |
| HN6 | N6 | C41 | C42 | 48.9° | 59.9° |
| HN6 | N6 | C41 | H41 | 72.5° | 180.0° |
| HN6A | N6 | C41 | C40 | 60.0° | 64.0° |
| HN6A | N6 | C41 | C42 | 71.1° | 176.0° |
| HN6A | N6 | C41 | H41 | 167.4° | 56.0° |
| O3 | C7 | H7 | H7A | 119.7° | 120.0° |
| C7 | O3 | C8 | C9 | 51.2° | 180.0° |
| C7 | O3 | C8 | H8 | 171.2° | 60.0° |
| C7 | O3 | C8 | H8A | 68.8° | 60.0° |
| C9 | C8 | H8 | H8A | 113.2° | 120.0° |
| C8 | C9 | N2 | O4 | 178.5° | 179.9° |
| H8 | C8 | C9 | N2 | 126.0° | 60.1° |
| H8 | C8 | C9 | O4 | 52.7° | 120.0° |
| H8A | C8 | C9 | N2 | 6.0° | 59.9° |
| H8A | C8 | C9 | O4 | 172.6° | 120.0° |
| C9 | N2 | C10 | C25 | 115.8° | 85.0° |
| C9 | N2 | C10 | C11 | 100.5° | 155.0° |
| C9 | N2 | C10 | H20 | 20.4° | 35.1° |
| C25 | C10 | C11 | H20 | 114.7° | 120.0° |
| C25 | C10 | C11 | N3 | 73.9° | 60.0° |
| C25 | C10 | C11 | O6 | 73.9° | 120.0° |
| C10 | C25 | C12 | H571 | 120.0° | 119.9° |
| C10 | C25 | C12 | H581 | 120.0° | 120.0° |
| C10 | C25 | C12 | C13 | 90.0° | 90.0° |
| C10 | C25 | C12 | C17 | 90.0° | 90.3° |
| C10 | C25 | H571 | H581 | 120.7° | 120.0° |
| C10 | C11 | N3 | O6 | 90.0° | 180.0° |
| C11 | C10 | C25 | C12 | 135.2° | 175.0° |
| C10 | C11 | N3 | C26 | 90.0° | 180.0° |
| C10 | C11 | N3 | H46 | 90.0° | 0.0° |
| C11 | C10 | C25 | H571 | 15.2° | 65.0° |
| C11 | C10 | C25 | H581 | 104.8° | 55.0° |
| H20 | C10 | C11 | N3 | 171.4° | 60.0° |
| H20 | C10 | C11 | O6 | 171.4° | 120.0° |
| H20 | C10 | C25 | C12 | 96.0° | 55.1° |
| H20 | C10 | C25 | H571 | 144.0° | 175.0° |
| H20 | C10 | C25 | H581 | 24.0° | 65.0° |
| C49 | O10 | C46 | C45 | 173.8° | 180.0° |
| C49 | O10 | C46 | C47 | 0.4° | 0.0° |
| O10 | C49 | C50 | H49 | 120.0° | 119.9° |
| O10 | C49 | C50 | H49A | 120.0° | 119.9° |
| O10 | C49 | H49 | H49A | 121.2° | 120.0° |
| O10 | C49 | C50 | C51 | 148.5° | 90.0° |
| O10 | C49 | C50 | C55 | 36.5° | 90.3° |
| C11 | N3 | C26 | H46 | 90.0° | 180.0° |
| C11 | N3 | C26 | C24 | 90.0° | 85.0° |
| C11 | N3 | C26 | C27 | 90.0° | 155.0° |
| C11 | N3 | C26 | H471 | 90.0° | 35.0° |
| O6 | C11 | N3 | C26 | 90.0° | 0.0° |
| O6 | C11 | N3 | H46 | 90.0° | 180.0° |
| O11 | C40 | C39 | O9 | 114.2° | 5.0° |
| O11 | C40 | C39 | C41 | 124.1° | 120.0° |
| O11 | C40 | C39 | H40 | 111.5° | 120.0° |
| O11 | C40 | C41 | H40 | 112.2° | 120.0° |
| O11 | C40 | C41 | C42 | 109.9° | 55.0° |
| O11 | C40 | C41 | H41 | 129.7° | 175.0° |
| HO11 | O11 | C40 | C39 | 180.0° | 60.0° |
| HO11 | O11 | C40 | C41 | 60.5° | 60.0° |
| HO11 | O11 | C40 | H40 | 63.1° | 180.0° |
| C25 | C12 | C13 | C17 | 90.0° | 179.7° |
| C25 | C12 | C13 | C14 | 90.0° | 180.0° |
| C25 | C12 | C17 | C16 | 90.0° | 179.7° |
| C12 | C25 | H571 | H581 | 120.7° | 120.1° |
| C25 | C12 | C13 | H591 | 90.0° | 0.1° |
| C25 | C12 | C17 | H621 | 90.0° | 0.3° |
| O9 | C39 | C40 | C41 | 10.0° | 115.0° |
| O9 | C39 | C40 | H40 | 134.4° | 125.0° |
| C39 | C40 | C41 | H40 | 118.4° | 120.0° |
| C39 | C40 | C41 | C42 | 120.6° | 175.0° |
| C39 | C40 | C41 | H41 | 0.3° | 65.0° |
| C40 | C41 | C42 | H41 | 109.9° | 120.0° |
| C40 | C41 | C42 | C43 | 153.7° | 175.0° |
| C40 | C41 | C42 | H42 | 33.7° | 55.0° |
| C40 | C41 | C42 | H42A | 86.3° | 65.0° |
| H40 | C40 | C41 | C42 | 2.3° | 65.0° |
| H40 | C40 | C41 | H41 | 118.1° | 55.0° |
| C41 | C42 | C43 | H42 | 120.0° | 119.9° |
| C41 | C42 | C43 | H42A | 120.0° | 120.0° |
| C41 | C42 | H42 | H42A | 117.9° | 120.0° |
| C41 | C42 | C43 | C48 | 17.6° | 90.0° |
| C41 | C42 | C43 | C44 | 161.6° | 89.7° |
| H41 | C41 | C42 | C43 | 43.8° | 55.0° |
| H41 | C41 | C42 | H42 | 76.2° | 64.9° |
| H41 | C41 | C42 | H42A | 163.8° | 175.0° |
| C43 | C42 | H42 | H42A | 117.9° | 120.0° |
| C42 | C43 | C48 | C44 | 179.2° | 179.8° |
| C42 | C43 | C44 | C45 | 180.0° | 179.9° |
| C42 | C43 | C44 | H44 | 0.1° | 0.0° |
| C42 | C43 | C48 | C47 | 177.3° | 179.7° |
| C42 | C43 | C48 | H48 | 2.7° | 0.1° |
| H42 | C42 | C43 | C48 | 102.4° | 29.9° |
| H42 | C42 | C43 | C44 | 78.4° | 150.3° |
| H42A | C42 | C43 | C48 | 137.6° | 150.0° |
| H42A | C42 | C43 | C44 | 41.5° | 30.3° |
| C48 | C43 | C44 | C45 | 0.8° | 0.3° |
| C48 | C43 | C44 | H44 | 179.2° | 179.8° |
| C43 | C48 | C47 | C46 | 2.2° | 0.5° |
| C43 | C48 | C47 | H47 | 177.8° | 179.8° |
| C43 | C48 | C47 | H48 | 180.0° | 179.8° |
| C43 | C44 | C45 | H44 | 180.0° | 179.9° |
| C43 | C44 | C45 | C46 | 3.3° | 0.1° |
| C43 | C44 | C45 | H45 | 176.7° | 180.0° |
| C44 | C43 | C48 | C47 | 3.5° | 0.5° |
| C44 | C43 | C48 | H48 | 176.5° | 179.7° |
| C44 | C45 | C46 | H45 | 180.0° | 180.0° |
| C44 | C45 | C46 | O10 | 179.0° | 180.0° |
| C44 | C45 | C46 | C47 | 4.8° | 0.1° |
| H44 | C44 | C45 | C46 | 176.7° | 180.0° |
| H44 | C44 | C45 | H45 | 3.2° | 0.1° |
| C45 | C46 | O10 | C47 | 173.4° | 180.0° |
| C45 | C46 | C47 | H47 | 178.3° | 180.0° |
| C45 | C46 | C47 | C48 | 1.7° | 0.3° |
| H45 | C45 | C46 | O10 | 1.0° | 0.0° |
| H45 | C45 | C46 | C47 | 175.2° | 180.0° |
| O10 | C46 | C47 | H47 | 4.8° | 0.0° |
| O10 | C46 | C47 | C48 | 175.2° | 179.8° |
| C46 | O10 | C49 | C50 | 75.9° | 180.0° |
| C46 | O10 | C49 | H49 | 164.1° | 60.1° |
| C46 | O10 | C49 | H49A | 44.1° | 60.0° |
| C46 | C47 | H47 | C48 | 180.0° | 179.7° |
| C46 | C47 | C48 | H48 | 177.8° | 179.7° |
| H47 | C47 | C48 | H48 | 2.2° | 0.0° |
| C50 | C49 | H49 | H49A | 121.2° | 120.0° |
| C49 | C50 | C51 | C55 | 175.0° | 179.7° |
| C49 | C50 | C51 | C52 | 172.3° | 180.0° |
| C49 | C50 | C51 | H51 | 7.7° | 0.1° |
| C49 | C50 | C55 | C54 | 171.2° | 179.8° |
| C49 | C50 | C55 | H55 | 8.8° | 0.0° |
| H49 | C49 | C50 | C51 | 91.5° | 29.9° |
| H49 | C49 | C50 | C55 | 83.5° | 149.8° |
| H49A | C49 | C50 | C51 | 28.5° | 150.0° |
| H49A | C49 | C50 | C55 | 156.5° | 29.7° |
| C50 | C51 | C52 | H51 | 180.0° | 179.9° |
| C50 | C51 | C52 | C53 | 2.1° | 0.1° |
| C50 | C51 | C52 | H52 | 178.0° | 179.9° |
| C51 | C50 | C55 | C54 | 4.1° | 0.5° |
| C51 | C50 | C55 | H55 | 175.9° | 179.7° |
| C55 | C50 | C51 | C52 | 2.8° | 0.3° |
| C55 | C50 | C51 | H51 | 177.2° | 179.8° |
| C50 | C55 | C54 | C53 | 4.7° | 0.5° |
| C50 | C55 | C54 | H54 | 175.3° | 179.8° |
| C50 | C55 | C54 | H55 | 180.0° | 179.8° |
| C51 | C52 | C53 | H52 | 180.0° | 180.0° |
| C51 | C52 | C53 | H53 | 177.5° | 180.0° |
| C51 | C52 | C53 | C54 | 2.5° | 0.0° |
| H51 | C51 | C52 | C53 | 177.9° | 180.0° |
| H51 | C51 | C52 | H52 | 2.0° | 0.0° |
| C52 | C53 | H53 | C54 | 180.0° | 180.0° |
| C52 | C53 | C54 | H54 | 176.1° | 180.0° |
| C52 | C53 | C54 | C55 | 3.9° | 0.2° |
| H52 | C52 | C53 | H53 | 2.4° | 0.0° |
| H52 | C52 | C53 | C54 | 177.6° | 180.0° |
| H53 | C53 | C54 | H54 | 3.9° | 0.0° |
| H53 | C53 | C54 | C55 | 176.1° | 179.8° |
| C53 | C54 | H54 | C55 | 180.0° | 179.7° |
| C53 | C54 | C55 | H55 | 175.3° | 179.8° |
| H54 | C54 | C55 | H55 | 4.7° | 0.0° |
| N3 | C26 | C24 | C27 | 90.0° | 120.0° |
| N3 | C26 | C24 | H471 | 90.0° | 120.0° |
| N3 | C26 | C27 | H471 | 90.0° | 120.0° |
| N3 | C26 | C24 | O7 | 90.0° | 0.0° |
| N3 | C26 | C24 | N4 | 90.0° | 180.0° |
| N3 | C26 | C27 | C28 | 90.0° | 65.0° |
| N3 | C26 | C27 | H50 | 90.0° | 175.0° |
| N3 | C26 | C27 | H511 | 90.0° | 55.0° |
| H46 | N3 | C26 | C24 | 90.0° | 95.0° |
| H46 | N3 | C26 | C27 | 90.0° | 24.9° |
| H46 | N3 | C26 | H471 | 90.0° | 145.0° |
| C24 | C26 | C27 | H471 | 90.0° | 120.0° |
| C26 | C24 | O7 | N4 | 90.0° | 180.0° |
| C26 | C24 | N4 | H481 | 90.0° | 0.0° |
| C26 | C24 | N4 | H491 | 90.0° | 180.0° |
| C24 | C26 | C27 | C28 | 90.0° | 175.0° |
| C24 | C26 | C27 | H50 | 90.0° | 55.0° |
| C24 | C26 | C27 | H511 | 90.0° | 65.0° |
| C27 | C26 | C24 | O7 | 90.0° | 120.0° |
| C27 | C26 | C24 | N4 | 90.0° | 60.0° |
| C26 | C27 | C28 | H50 | 90.0° | 119.9° |
| C26 | C27 | C28 | H511 | 90.0° | 120.1° |
| C26 | C27 | H50 | H511 | 90.0° | 120.1° |
| C26 | C27 | C28 | C29 | 90.0° | 180.0° |
| C26 | C27 | C28 | H521 | 90.0° | 60.0° |
| C26 | C27 | C28 | H531 | 90.0° | 60.0° |
| H471 | C26 | C24 | O7 | 90.0° | 120.1° |
| H471 | C26 | C24 | N4 | 90.0° | 60.0° |
| H471 | C26 | C27 | C28 | 90.0° | 55.0° |
| H471 | C26 | C27 | H50 | 90.0° | 64.9° |
| H471 | C26 | C27 | H511 | 90.0° | 175.0° |
| O7 | C24 | N4 | H481 | 90.0° | 180.0° |
| O7 | C24 | N4 | H491 | 90.0° | 0.0° |
| C24 | N4 | H481 | H491 | 90.0° | 180.0° |
| C28 | C27 | H50 | H511 | 90.0° | 120.0° |
| C27 | C28 | C29 | H521 | 90.0° | 120.0° |
| C27 | C28 | C29 | H531 | 90.0° | 120.0° |
| C27 | C28 | H521 | H531 | 90.0° | 120.0° |
| C27 | C28 | C29 | C30 | 90.0° | 180.0° |
| C27 | C28 | C29 | H541 | 90.0° | 60.0° |
| C27 | C28 | C29 | H551 | 90.0° | 60.0° |
| H50 | C27 | C28 | C29 | 90.0° | 60.1° |
| H50 | C27 | C28 | H521 | 90.0° | 180.0° |
| H50 | C27 | C28 | H531 | 90.0° | 60.0° |
| H511 | C27 | C28 | C29 | 90.0° | 59.9° |
| H511 | C27 | C28 | H521 | 90.0° | 60.0° |
| H511 | C27 | C28 | H531 | 90.0° | 180.0° |
| C29 | C28 | H521 | H531 | 90.0° | 120.0° |
| C28 | C29 | C30 | H541 | 90.0° | 120.0° |
| C28 | C29 | C30 | H551 | 90.0° | 120.0° |
| C28 | C29 | H541 | H551 | 90.0° | 120.1° |
| C28 | C29 | C30 | N7 | 90.0° | 180.0° |
| C28 | C29 | C30 | H561 | 90.0° | 60.0° |
| C28 | C29 | C30 | H57 | 90.0° | 60.0° |
| H521 | C28 | C29 | C30 | 90.0° | 60.0° |
| H521 | C28 | C29 | H541 | 90.0° | 180.0° |
| H521 | C28 | C29 | H551 | 90.0° | 60.0° |
| H531 | C28 | C29 | C30 | 90.0° | 60.0° |
| H531 | C28 | C29 | H541 | 90.0° | 60.0° |
| H531 | C28 | C29 | H551 | 90.0° | 180.0° |
| C30 | C29 | H541 | H551 | 90.0° | 120.0° |
| C29 | C30 | N7 | H561 | 90.0° | 120.0° |
| C29 | C30 | N7 | H57 | 90.0° | 120.0° |
| C29 | C30 | H561 | H57 | 90.0° | 120.1° |
| C29 | C30 | N7 | C32 | 90.0° | 180.0° |
| C29 | C30 | N7 | H58 | 90.0° | 0.1° |
| H541 | C29 | C30 | N7 | 90.0° | 60.0° |
| H541 | C29 | C30 | H561 | 90.0° | 180.0° |
| H541 | C29 | C30 | H57 | 90.0° | 59.9° |
| H551 | C29 | C30 | N7 | 90.0° | 60.0° |
| H551 | C29 | C30 | H561 | 90.0° | 60.0° |
| H551 | C29 | C30 | H57 | 90.0° | 180.0° |
| N7 | C30 | H561 | H57 | 90.0° | 120.0° |
| C30 | N7 | C32 | H58 | 90.0° | 179.9° |
| C30 | N7 | C32 | C31 | 90.0° | 180.0° |
| C30 | N7 | C32 | O8 | 90.0° | 0.0° |
| H561 | C30 | N7 | C32 | 90.0° | 60.0° |
| H561 | C30 | N7 | H58 | 90.0° | 120.1° |
| H57 | C30 | N7 | C32 | 90.0° | 60.0° |
| H57 | C30 | N7 | H58 | 90.0° | 119.9° |
| N7 | C32 | C31 | O8 | 90.0° | 180.0° |
| N7 | C32 | C31 | C33 | 90.0° | 180.0° |
| N7 | C32 | C31 | H59 | 90.0° | 60.0° |
| N7 | C32 | C31 | H60 | 90.0° | 60.0° |
| H58 | N7 | C32 | C31 | 90.0° | 0.0° |
| H58 | N7 | C32 | O8 | 90.0° | 180.0° |
| C32 | C31 | C33 | H59 | 90.0° | 120.0° |
| C32 | C31 | C33 | H60 | 90.0° | 120.0° |
| C32 | C31 | H59 | H60 | 90.0° | 120.0° |
| C32 | C31 | C33 | C34 | 90.0° | 180.0° |
| C32 | C31 | C33 | H61 | 90.0° | 59.9° |
| C32 | C31 | C33 | H62 | 90.0° | 60.0° |
| O8 | C32 | C31 | C33 | 90.0° | 0.0° |
| O8 | C32 | C31 | H59 | 90.0° | 120.0° |
| O8 | C32 | C31 | H60 | 90.0° | 120.0° |
| C33 | C31 | H59 | H60 | 90.0° | 120.0° |
| C31 | C33 | C34 | H61 | 90.0° | 120.0° |
| C31 | C33 | C34 | H62 | 90.0° | 120.0° |
| C31 | C33 | H61 | H62 | 90.0° | 119.9° |
| C31 | C33 | C34 | C35 | 90.0° | 180.0° |
| C31 | C33 | C34 | H63 | 90.0° | 60.0° |
| C31 | C33 | C34 | H64 | 90.0° | 60.0° |
| H59 | C31 | C33 | C34 | 90.0° | 60.0° |
| H59 | C31 | C33 | H61 | 90.0° | 179.9° |
| H59 | C31 | C33 | H62 | 90.0° | 60.0° |
| H60 | C31 | C33 | C34 | 90.0° | 60.0° |
| H60 | C31 | C33 | H61 | 90.0° | 60.0° |
| H60 | C31 | C33 | H62 | 90.0° | 179.9° |
| C34 | C33 | H61 | H62 | 90.0° | 120.0° |
| C33 | C34 | C35 | H63 | 90.0° | 120.0° |
| C33 | C34 | C35 | H64 | 90.0° | 120.0° |
| C33 | C34 | H63 | H64 | 90.0° | 120.0° |
| C33 | C34 | C35 | C36 | 90.0° | 71.6° |
| H61 | C33 | C34 | C35 | 90.0° | 60.0° |
| H61 | C33 | C34 | H63 | 90.0° | 180.0° |
| H61 | C33 | C34 | H64 | 90.0° | 60.0° |
| H62 | C33 | C34 | C35 | 90.0° | 60.0° |
| H62 | C33 | C34 | H63 | 90.0° | 60.0° |
| H62 | C33 | C34 | H64 | 90.0° | 180.0° |
| C35 | C34 | H63 | H64 | 90.0° | 120.0° |
| C34 | C35 | C36 | H65 | 90.0° | 179.5° |
| H63 | C34 | C35 | C36 | 90.0° | 168.3° |
| H64 | C34 | C35 | C36 | 90.0° | 48.4° |
| C12 | C13 | C14 | H591 | 90.0° | 179.9° |
| C12 | C13 | C14 | C15 | 90.0° | 0.0° |
| C13 | C12 | C17 | C16 | 90.0° | 0.6° |
| C13 | C12 | C25 | H571 | 90.0° | 29.9° |
| C13 | C12 | C25 | H581 | 90.0° | 150.0° |
| C12 | C13 | C14 | H601 | 90.0° | 180.0° |
| C13 | C12 | C17 | H621 | 90.0° | 180.0° |
| C13 | C14 | C15 | H601 | 90.0° | 180.0° |
| C13 | C14 | C15 | C16 | 90.0° | 0.0° |
| C13 | C14 | C15 | C18 | 90.0° | 180.0° |
| C14 | C13 | C12 | C17 | 90.0° | 0.3° |
| C14 | C15 | C16 | C18 | 90.0° | 180.0° |
| C14 | C15 | C16 | C17 | 90.0° | 0.3° |
| C14 | C15 | C18 | C19 | 90.0° | 146.1° |
| C14 | C15 | C18 | O5 | 90.0° | 34.0° |
| C15 | C14 | C13 | H591 | 90.0° | 180.0° |
| C14 | C15 | C16 | H611 | 90.0° | 180.0° |
| C15 | C16 | C17 | H611 | 90.0° | 179.7° |
| C15 | C16 | C17 | C12 | 90.0° | 0.6° |
| C16 | C15 | C18 | C19 | 90.0° | 33.9° |
| C16 | C15 | C18 | O5 | 90.0° | 146.0° |
| C16 | C15 | C14 | H601 | 90.0° | 180.0° |
| C15 | C16 | C17 | H621 | 90.0° | 180.0° |
| C18 | C15 | C16 | C17 | 90.0° | 179.7° |
| C15 | C18 | C19 | O5 | 90.0° | 179.9° |
| C15 | C18 | C19 | C20 | 90.0° | 172.4° |
| C15 | C18 | C19 | C37 | 90.0° | 7.8° |
| C18 | C15 | C14 | H601 | 90.0° | 0.0° |
| C18 | C15 | C16 | H611 | 90.0° | 0.0° |
| C16 | C17 | C12 | H621 | 90.0° | 179.4° |
| C17 | C12 | C25 | H571 | 90.0° | 149.7° |
| C17 | C12 | C25 | H581 | 90.0° | 29.7° |
| C17 | C12 | C13 | H591 | 90.0° | 179.7° |
| C12 | C17 | C16 | H611 | 90.0° | 179.7° |
| C18 | C19 | C20 | C37 | 90.0° | 179.8° |
| C18 | C19 | C20 | C21 | 90.0° | 180.0° |
| C18 | C19 | C37 | C23 | 90.0° | 179.7° |
| C18 | C19 | C20 | H631 | 90.0° | 0.0° |
| C18 | C19 | C37 | H67 | 90.0° | 0.3° |
| O5 | C18 | C19 | C20 | 90.0° | 7.5° |
| O5 | C18 | C19 | C37 | 90.0° | 172.2° |
| C19 | C20 | C21 | H631 | 90.0° | 180.0° |
| C19 | C20 | C21 | C22 | 90.0° | 0.1° |
| C20 | C19 | C37 | C23 | 90.0° | 0.5° |
| C19 | C20 | C21 | H641 | 90.0° | 180.0° |
| C20 | C19 | C37 | H67 | 90.0° | 179.9° |
| C20 | C21 | C22 | H641 | 90.0° | 179.9° |
| C20 | C21 | C22 | C23 | 90.0° | 0.0° |
| C21 | C20 | C19 | C37 | 90.0° | 0.2° |
| C20 | C21 | C22 | H651 | 90.0° | 179.9° |
| C21 | C22 | C23 | H651 | 90.0° | 179.9° |
| C21 | C22 | C23 | C37 | 90.0° | 0.3° |
| C22 | C21 | C20 | H631 | 90.0° | 180.0° |
| C21 | C22 | C23 | H66 | 90.0° | 179.9° |
| C22 | C23 | C37 | H66 | 90.0° | 179.8° |
| C22 | C23 | C37 | C19 | 90.0° | 0.6° |
| C23 | C22 | C21 | H641 | 90.0° | 179.9° |
| C22 | C23 | C37 | H67 | 90.0° | 180.0° |
| C23 | C37 | C19 | H67 | 90.0° | 179.4° |
| C37 | C23 | C22 | H651 | 90.0° | 179.8° |
| C37 | C19 | C20 | H631 | 90.0° | 179.7° |
| C19 | C37 | C23 | H66 | 90.0° | 179.6° |
| H591 | C13 | C14 | H601 | 90.0° | 0.1° |
| H611 | C16 | C17 | H621 | 90.0° | 0.3° |
| H631 | C20 | C21 | H641 | 90.0° | 0.1° |
| H641 | C21 | C22 | H651 | 90.0° | 0.0° |
| H651 | C22 | C23 | H66 | 90.0° | 0.0° |
| H66 | C23 | C37 | H67 | 90.0° | 0.2° |
