VG0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.37Å | 1.37Å | |
| C1 | O7 | doub | 1.23Å | 1.23Å | |
| C1 | C8 | sing | 1.46Å | 1.46Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.55Å | 1.55Å | |
| C4 | C6 | sing | 1.52Å | 1.52Å | |
| C4 | O21 | sing | 1.42Å | 1.42Å | |
| C5 | C14 | sing | 1.51Å | 1.51Å | |
| C6 | N20 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | C13 | doub | 1.43Å | 1.43Å | Aromatic |
| C9 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.43Å | 1.43Å | Aromatic |
| C10 | N46 | sing | 1.39Å | 1.39Å | |
| C11 | C12 | doub | 1.42Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.43Å | 1.43Å | Aromatic |
| C12 | N38 | sing | 1.39Å | 1.39Å | |
| C14 | C15 | sing | 1.42Å | 1.42Å | Aromatic |
| C14 | C19 | doub | 1.42Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.42Å | 1.42Å | Aromatic |
| N20 | C59 | sing | 1.49Å | 1.49Å | |
| N38 | C39 | sing | 1.47Å | 1.47Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| N46 | C47 | sing | 1.48Å | 1.48Å | |
| N46 | C50 | sing | 1.37Å | 1.37Å | |
| C47 | C48 | sing | 1.52Å | 1.52Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C50 | O57 | doub | 1.23Å | 1.23Å | |
| C59 | C61 | sing | 1.55Å | 1.55Å | |
| C59 | C65 | sing | 1.55Å | 1.55Å | |
| C59 | C69 | sing | 1.56Å | 1.56Å | |
| C69 | C70 | sing | 1.54Å | 1.54Å | |
| C70 | C73 | sing | 1.53Å | 1.53Å | |
| C73 | C76 | sing | 1.54Å | 1.54Å | |
| C76 | C79 | sing | 1.53Å | 1.53Å | |
| C76 | C83 | sing | 1.54Å | 1.54Å | |
| N2 | H2 | sing | 1.00Å | 1.00Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| C5 | H5C1 | sing | 1.10Å | 1.10Å | |
| C5 | H5C2 | sing | 1.10Å | 1.10Å | |
| C6 | H6C1 | sing | 1.10Å | 1.10Å | |
| C6 | H6C2 | sing | 1.10Å | 1.10Å | |
| O21 | H21 | sing | 0.95Å | 0.95Å | |
| N20 | H20 | sing | 1.00Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N38 | H38 | sing | 1.00Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.10Å | 1.10Å | |
| C39 | H392 | sing | 1.10Å | 1.10Å | |
| C40 | H401 | sing | 1.10Å | 1.10Å | |
| C40 | H402 | sing | 1.10Å | 1.10Å | |
| C40 | H403 | sing | 1.10Å | 1.10Å | |
| C47 | H471 | sing | 1.10Å | 1.10Å | |
| C47 | H472 | sing | 1.10Å | 1.10Å | |
| C48 | H481 | sing | 1.10Å | 1.10Å | |
| C48 | H482 | sing | 1.10Å | 1.10Å | |
| C49 | H491 | sing | 1.10Å | 1.10Å | |
| C49 | H492 | sing | 1.10Å | 1.10Å | |
| C61 | H611 | sing | 1.10Å | 1.10Å | |
| C61 | H612 | sing | 1.10Å | 1.10Å | |
| C61 | H613 | sing | 1.10Å | 1.10Å | |
| C65 | H651 | sing | 1.10Å | 1.10Å | |
| C65 | H652 | sing | 1.10Å | 1.10Å | |
| C65 | H653 | sing | 1.10Å | 1.10Å | |
| C69 | H691 | sing | 1.10Å | 1.10Å | |
| C69 | H692 | sing | 1.10Å | 1.10Å | |
| C70 | H701 | sing | 1.10Å | 1.10Å | |
| C70 | H702 | sing | 1.10Å | 1.10Å | |
| C73 | H731 | sing | 1.10Å | 1.10Å | |
| C73 | H732 | sing | 1.10Å | 1.10Å | |
| C76 | H76 | sing | 1.10Å | 1.10Å | |
| C79 | H791 | sing | 1.10Å | 1.10Å | |
| C79 | H792 | sing | 1.10Å | 1.10Å | |
| C79 | H793 | sing | 1.10Å | 1.10Å | |
| C83 | H831 | sing | 1.10Å | 1.10Å | |
| C83 | H832 | sing | 1.10Å | 1.10Å | |
| C83 | H833 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | O7 | 122.2° | 122.2° |
| N2 | C1 | C8 | 116.1° | 116.1° |
| C1 | N2 | C3 | 125.0° | 125.0° |
| C1 | N2 | H2 | 117.5° | 117.5° |
| O7 | C1 | C8 | 121.6° | 121.6° |
| C1 | C8 | C9 | 122.1° | 122.1° |
| C1 | C8 | C13 | 118.2° | 118.2° |
| N2 | C3 | C4 | 107.5° | 107.5° |
| N2 | C3 | C5 | 106.8° | 106.8° |
| C3 | N2 | H2 | 117.5° | 117.5° |
| N2 | C3 | H3 | 115.0° | 115.0° |
| C4 | C3 | C5 | 115.9° | 115.9° |
| C3 | C4 | C6 | 114.2° | 114.2° |
| C3 | C4 | O21 | 108.7° | 108.7° |
| C4 | C3 | H3 | 105.7° | 105.7° |
| C3 | C4 | H4 | 106.1° | 106.1° |
| C3 | C5 | C14 | 113.4° | 113.4° |
| C5 | C3 | H3 | 106.4° | 106.4° |
| C3 | C5 | H5C1 | 108.2° | 108.2° |
| C3 | C5 | H5C2 | 107.3° | 107.3° |
| C6 | C4 | O21 | 107.3° | 107.3° |
| C4 | C6 | N20 | 111.0° | 111.0° |
| C6 | C4 | H4 | 107.5° | 107.5° |
| C4 | C6 | H6C1 | 108.9° | 108.9° |
| C4 | C6 | H6C2 | 108.6° | 108.6° |
| O21 | C4 | H4 | 113.1° | 113.1° |
| C4 | O21 | H21 | 109.5° | 109.5° |
| C5 | C14 | C15 | 121.0° | 121.0° |
| C5 | C14 | C19 | 120.1° | 120.1° |
| C14 | C5 | H5C1 | 108.2° | 108.2° |
| C14 | C5 | H5C2 | 107.3° | 107.3° |
| C6 | N20 | C59 | 119.5° | 119.5° |
| N20 | C6 | H6C1 | 109.0° | 109.0° |
| N20 | C6 | H6C2 | 108.6° | 108.6° |
| C6 | N20 | H20 | 106.3° | 106.3° |
| C9 | C8 | C13 | 119.7° | 119.7° |
| C8 | C9 | C10 | 120.9° | 120.9° |
| C8 | C9 | H9 | 119.6° | 119.6° |
| C8 | C13 | C12 | 120.5° | 120.5° |
| C8 | C13 | H13 | 119.8° | 119.8° |
| C9 | C10 | C11 | 119.0° | 119.0° |
| C9 | C10 | N46 | 119.6° | 119.6° |
| C10 | C9 | H9 | 119.5° | 119.5° |
| C11 | C10 | N46 | 121.3° | 121.3° |
| C10 | C11 | C12 | 121.5° | 121.5° |
| C10 | C11 | H11 | 119.3° | 119.3° |
| C10 | N46 | C47 | 123.0° | 123.0° |
| C10 | N46 | C50 | 125.2° | 125.2° |
| C11 | C12 | C13 | 118.5° | 118.5° |
| C11 | C12 | N38 | 120.5° | 120.5° |
| C12 | C11 | H11 | 119.3° | 119.3° |
| C13 | C12 | N38 | 121.0° | 121.0° |
| C12 | C13 | H13 | 119.7° | 119.7° |
| C12 | N38 | C39 | 125.9° | 125.9° |
| C12 | N38 | H38 | 104.3° | 104.3° |
| C15 | C14 | C19 | 118.8° | 118.8° |
| C14 | C15 | C16 | 120.8° | 120.8° |
| C14 | C15 | H15 | 119.7° | 119.7° |
| C14 | C19 | C18 | 120.4° | 120.4° |
| C14 | C19 | H19 | 119.8° | 119.8° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C16 | C15 | H15 | 119.6° | 119.6° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | C18 | 119.8° | 119.8° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | H17 | 120.1° | 120.1° |
| C17 | C18 | C19 | 120.2° | 120.2° |
| C18 | C17 | H17 | 120.1° | 120.1° |
| C17 | C18 | H18 | 119.9° | 119.9° |
| C18 | C19 | H19 | 119.8° | 119.8° |
| C19 | C18 | H18 | 119.9° | 119.9° |
| N20 | C59 | C61 | 107.2° | 107.2° |
| N20 | C59 | C65 | 110.8° | 110.8° |
| N20 | C59 | C69 | 109.0° | 109.0° |
| C59 | N20 | H20 | 106.3° | 106.3° |
| N38 | C39 | C40 | 110.3° | 110.3° |
| C39 | N38 | H38 | 104.3° | 104.3° |
| N38 | C39 | H391 | 109.2° | 109.2° |
| N38 | C39 | H392 | 109.0° | 109.0° |
| C40 | C39 | H391 | 109.2° | 109.2° |
| C40 | C39 | H392 | 109.0° | 109.0° |
| C39 | C40 | H401 | 109.5° | 109.5° |
| C39 | C40 | H402 | 109.5° | 109.4° |
| C39 | C40 | H403 | 109.5° | 109.5° |
| C47 | N46 | C50 | 111.8° | 111.8° |
| N46 | C47 | C48 | 104.8° | 104.8° |
| N46 | C47 | H471 | 111.1° | 111.1° |
| N46 | C47 | H472 | 112.1° | 112.1° |
| N46 | C50 | C49 | 109.7° | 109.7° |
| N46 | C50 | O57 | 127.2° | 127.2° |
| C47 | C48 | C49 | 105.4° | 105.4° |
| C48 | C47 | H471 | 111.1° | 111.1° |
| C48 | C47 | H472 | 112.1° | 112.1° |
| C47 | C48 | H481 | 110.8° | 110.8° |
| C47 | C48 | H482 | 111.7° | 111.7° |
| C48 | C49 | C50 | 103.5° | 103.5° |
| C49 | C48 | H481 | 110.8° | 110.9° |
| C49 | C48 | H482 | 111.7° | 111.7° |
| C48 | C49 | H491 | 111.5° | 111.5° |
| C48 | C49 | H492 | 112.8° | 112.8° |
| C49 | C50 | O57 | 123.2° | 123.2° |
| C50 | C49 | H491 | 111.5° | 111.5° |
| C50 | C49 | H492 | 112.7° | 112.7° |
| C61 | C59 | C65 | 108.7° | 108.7° |
| C61 | C59 | C69 | 110.2° | 110.2° |
| C59 | C61 | H611 | 109.5° | 109.5° |
| C59 | C61 | H612 | 109.5° | 109.5° |
| C59 | C61 | H613 | 109.5° | 109.5° |
| C65 | C59 | C69 | 110.9° | 110.9° |
| C59 | C65 | H651 | 109.5° | 109.5° |
| C59 | C65 | H652 | 109.5° | 109.5° |
| C59 | C65 | H653 | 109.5° | 109.5° |
| C59 | C69 | C70 | 115.6° | 115.6° |
| C59 | C69 | H691 | 107.5° | 107.5° |
| C59 | C69 | H692 | 106.1° | 106.1° |
| C69 | C70 | C73 | 112.3° | 112.3° |
| C70 | C69 | H691 | 107.5° | 107.5° |
| C70 | C69 | H692 | 106.1° | 106.1° |
| C69 | C70 | H701 | 108.5° | 108.5° |
| C69 | C70 | H702 | 107.9° | 107.9° |
| C70 | C73 | C76 | 114.2° | 114.2° |
| C73 | C70 | H701 | 108.5° | 108.5° |
| C73 | C70 | H702 | 107.9° | 107.9° |
| C70 | C73 | H731 | 107.9° | 107.9° |
| C70 | C73 | H732 | 106.8° | 106.8° |
| C73 | C76 | C79 | 109.3° | 109.3° |
| C73 | C76 | C83 | 112.3° | 112.3° |
| C76 | C73 | H731 | 107.9° | 107.9° |
| C76 | C73 | H732 | 106.8° | 106.8° |
| C73 | C76 | H76 | 107.4° | 107.5° |
| C79 | C76 | C83 | 108.9° | 108.9° |
| C79 | C76 | H76 | 111.0° | 111.0° |
| C76 | C79 | H791 | 109.5° | 109.5° |
| C76 | C79 | H792 | 109.5° | 109.5° |
| C76 | C79 | H793 | 109.5° | 109.5° |
| C83 | C76 | H76 | 107.9° | 107.9° |
| C76 | C83 | H831 | 109.5° | 109.5° |
| C76 | C83 | H832 | 109.4° | 109.5° |
| C76 | C83 | H833 | 109.4° | 109.4° |
| H5C1 | C5 | H5C2 | 112.6° | 112.6° |
| H6C1 | C6 | H6C2 | 110.7° | 110.7° |
| H391 | C39 | H392 | 110.1° | 110.2° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H401 | C40 | H403 | 109.4° | 109.4° |
| H402 | C40 | H403 | 109.5° | 109.5° |
| H471 | C47 | H472 | 105.9° | 105.9° |
| H481 | C48 | H482 | 106.4° | 106.4° |
| H491 | C49 | H492 | 105.0° | 105.0° |
| H611 | C61 | H612 | 109.5° | 109.4° |
| H611 | C61 | H613 | 109.5° | 109.5° |
| H612 | C61 | H613 | 109.4° | 109.5° |
| H651 | C65 | H652 | 109.5° | 109.5° |
| H651 | C65 | H653 | 109.4° | 109.4° |
| H652 | C65 | H653 | 109.5° | 109.5° |
| H691 | C69 | H692 | 114.4° | 114.4° |
| H701 | C70 | H702 | 111.7° | 111.7° |
| H731 | C73 | H732 | 113.2° | 113.2° |
| H791 | C79 | H792 | 109.5° | 109.5° |
| H791 | C79 | H793 | 109.5° | 109.5° |
| H792 | C79 | H793 | 109.5° | 109.5° |
| H831 | C83 | H832 | 109.5° | 109.5° |
| H831 | C83 | H833 | 109.5° | 109.5° |
| H832 | C83 | H833 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | O7 | C8 | 178.5° | 178.5° |
| C1 | N2 | C3 | H2 | 180.0° | 180.0° |
| C1 | N2 | C3 | C4 | 99.3° | 99.3° |
| C1 | N2 | C3 | C5 | 135.8° | 135.8° |
| N2 | C1 | C8 | C9 | 139.2° | 139.2° |
| N2 | C1 | C8 | C13 | 41.4° | 41.4° |
| C1 | N2 | C3 | H3 | 18.0° | 18.0° |
| O7 | C1 | N2 | C3 | 0.8° | 0.8° |
| O7 | C1 | C8 | C9 | 42.2° | 42.2° |
| O7 | C1 | C8 | C13 | 137.2° | 137.2° |
| O7 | C1 | N2 | H2 | 179.2° | 179.2° |
| C8 | C1 | N2 | C3 | 177.8° | 177.8° |
| C1 | C8 | C9 | C13 | 179.4° | 179.4° |
| C1 | C8 | C9 | C10 | 179.4° | 179.4° |
| C1 | C8 | C13 | C12 | 179.4° | 179.4° |
| C8 | C1 | N2 | H2 | 2.2° | 2.2° |
| C1 | C8 | C9 | H9 | 0.6° | 0.6° |
| C1 | C8 | C13 | H13 | 0.5° | 0.5° |
| N2 | C3 | C4 | C5 | 119.3° | 119.3° |
| N2 | C3 | C4 | H3 | 123.3° | 123.2° |
| N2 | C3 | C5 | H3 | 123.3° | 123.2° |
| N2 | C3 | C4 | C6 | 73.1° | 73.1° |
| N2 | C3 | C4 | O21 | 167.1° | 167.1° |
| N2 | C3 | C5 | C14 | 42.6° | 42.6° |
| N2 | C3 | C4 | H4 | 45.1° | 45.1° |
| N2 | C3 | C5 | H5C1 | 77.3° | 77.3° |
| N2 | C3 | C5 | H5C2 | 160.9° | 160.9° |
| C4 | C3 | C5 | H3 | 117.1° | 117.1° |
| C3 | C4 | C6 | O21 | 120.6° | 120.6° |
| C3 | C4 | C6 | H4 | 117.4° | 117.4° |
| C3 | C4 | O21 | H4 | 117.6° | 117.6° |
| C4 | C3 | C5 | C14 | 162.3° | 162.3° |
| C3 | C4 | C6 | N20 | 171.2° | 171.2° |
| C4 | C3 | N2 | H2 | 80.7° | 80.6° |
| C4 | C3 | C5 | H5C1 | 42.3° | 42.3° |
| C4 | C3 | C5 | H5C2 | 79.4° | 79.4° |
| C3 | C4 | C6 | H6C1 | 68.8° | 68.8° |
| C3 | C4 | C6 | H6C2 | 51.9° | 51.9° |
| C3 | C4 | O21 | H21 | 150.8° | 150.8° |
| C5 | C3 | C4 | C6 | 167.6° | 167.6° |
| C5 | C3 | C4 | O21 | 47.8° | 47.8° |
| C3 | C5 | C14 | H5C1 | 120.0° | 120.0° |
| C3 | C5 | C14 | H5C2 | 118.3° | 118.3° |
| C3 | C5 | C14 | C15 | 53.1° | 53.1° |
| C3 | C5 | C14 | C19 | 126.5° | 126.5° |
| C5 | C3 | N2 | H2 | 44.2° | 44.3° |
| C5 | C3 | C4 | H4 | 74.1° | 74.1° |
| C3 | C5 | H5C1 | H5C2 | 118.4° | 118.4° |
| C6 | C4 | O21 | H4 | 118.5° | 118.5° |
| C4 | C6 | N20 | H6C1 | 120.0° | 120.0° |
| C4 | C6 | N20 | H6C2 | 119.4° | 119.4° |
| C4 | C6 | N20 | C59 | 163.9° | 163.9° |
| C6 | C4 | C3 | H3 | 50.1° | 50.1° |
| C4 | C6 | H6C1 | H6C2 | 119.4° | 119.4° |
| C6 | C4 | O21 | H21 | 26.9° | 26.9° |
| C4 | C6 | N20 | H20 | 43.9° | 43.9° |
| O21 | C4 | C6 | N20 | 50.7° | 50.7° |
| O21 | C4 | C3 | H3 | 69.7° | 69.7° |
| O21 | C4 | C6 | H6C1 | 170.7° | 170.7° |
| O21 | C4 | C6 | H6C2 | 68.7° | 68.7° |
| C5 | C14 | C15 | C19 | 179.6° | 179.6° |
| C5 | C14 | C15 | C16 | 179.5° | 179.5° |
| C5 | C14 | C19 | C18 | 179.6° | 179.6° |
| C14 | C5 | C3 | H3 | 80.6° | 80.6° |
| C14 | C5 | H5C1 | H5C2 | 118.4° | 118.4° |
| C5 | C14 | C15 | H15 | 0.5° | 0.5° |
| C5 | C14 | C19 | H19 | 0.4° | 0.4° |
| C6 | N20 | C59 | H20 | 120.0° | 120.0° |
| C6 | N20 | C59 | C61 | 61.1° | 61.1° |
| C6 | N20 | C59 | C65 | 179.5° | 179.5° |
| C6 | N20 | C59 | C69 | 58.2° | 58.2° |
| N20 | C6 | C4 | H4 | 71.3° | 71.3° |
| N20 | C6 | H6C1 | H6C2 | 119.4° | 119.4° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C8 | C9 | C10 | N46 | 179.6° | 179.6° |
| C9 | C8 | C13 | C12 | 0.0° | 0.0° |
| C9 | C8 | C13 | H13 | 180.0° | 180.0° |
| C13 | C8 | C9 | C10 | 0.0° | 0.0° |
| C8 | C13 | C12 | C11 | 0.1° | 0.1° |
| C8 | C13 | C12 | H13 | 180.0° | 180.0° |
| C8 | C13 | C12 | N38 | 180.0° | 180.0° |
| C13 | C8 | C9 | H9 | 180.0° | 180.0° |
| C9 | C10 | C11 | N46 | 179.6° | 179.6° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C9 | C10 | N46 | C47 | 47.7° | 47.7° |
| C9 | C10 | N46 | C50 | 131.9° | 131.9° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | N38 | 180.0° | 180.0° |
| C11 | C10 | N46 | C47 | 131.9° | 131.9° |
| C11 | C10 | N46 | C50 | 48.5° | 48.5° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| N46 | C10 | C11 | C12 | 179.7° | 179.7° |
| C10 | N46 | C47 | C50 | 179.7° | 179.7° |
| C10 | N46 | C47 | C48 | 166.6° | 166.6° |
| C10 | N46 | C50 | C49 | 180.0° | 180.0° |
| C10 | N46 | C50 | O57 | 0.1° | 0.1° |
| N46 | C10 | C9 | H9 | 0.4° | 0.4° |
| N46 | C10 | C11 | H11 | 0.4° | 0.4° |
| C10 | N46 | C47 | H471 | 46.6° | 46.6° |
| C10 | N46 | C47 | H472 | 71.6° | 71.6° |
| C11 | C12 | C13 | N38 | 179.9° | 179.9° |
| C11 | C12 | N38 | C39 | 179.9° | 179.9° |
| C11 | C12 | C13 | H13 | 179.9° | 179.9° |
| C11 | C12 | N38 | H38 | 59.9° | 59.9° |
| C13 | C12 | N38 | C39 | 0.0° | 0.0° |
| C13 | C12 | C11 | H11 | 179.9° | 179.9° |
| C13 | C12 | N38 | H38 | 120.0° | 120.0° |
| C12 | N38 | C39 | H38 | 120.0° | 120.0° |
| C12 | N38 | C39 | C40 | 98.9° | 98.9° |
| N38 | C12 | C13 | H13 | 0.0° | 0.0° |
| N38 | C12 | C11 | H11 | 0.0° | 0.0° |
| C12 | N38 | C39 | H391 | 21.1° | 21.1° |
| C12 | N38 | C39 | H392 | 141.4° | 141.4° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.3° |
| C15 | C14 | C19 | C18 | 0.0° | 0.0° |
| C15 | C14 | C5 | H5C1 | 173.1° | 173.1° |
| C15 | C14 | C5 | H5C2 | 65.2° | 65.2° |
| C15 | C14 | C19 | H19 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 179.7° | 179.7° |
| C19 | C14 | C15 | C16 | 0.1° | 0.1° |
| C14 | C19 | C18 | C17 | 0.0° | 0.0° |
| C14 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C14 | C5 | H5C1 | 6.5° | 6.5° |
| C19 | C14 | C5 | H5C2 | 115.2° | 115.2° |
| C19 | C14 | C15 | H15 | 179.8° | 179.8° |
| C14 | C19 | C18 | H18 | 180.0° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.2° |
| C15 | C16 | C17 | H17 | 179.7° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C17 | C16 | C15 | H15 | 179.7° | 179.7° |
| C16 | C17 | C18 | H18 | 179.9° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C17 | C16 | H16 | 179.7° | 179.7° |
| C19 | C18 | C17 | H17 | 179.9° | 179.9° |
| N20 | C59 | C61 | C65 | 119.8° | 119.8° |
| N20 | C59 | C61 | C69 | 118.5° | 118.5° |
| N20 | C59 | C65 | C69 | 121.3° | 121.3° |
| N20 | C59 | C69 | C70 | 62.0° | 62.0° |
| C59 | N20 | C6 | H6C1 | 76.1° | 76.1° |
| C59 | N20 | C6 | H6C2 | 44.5° | 44.5° |
| N20 | C59 | C61 | H611 | 102.3° | 102.3° |
| N20 | C59 | C61 | H612 | 137.6° | 137.7° |
| N20 | C59 | C61 | H613 | 17.7° | 17.7° |
| N20 | C59 | C65 | H651 | 99.1° | 99.1° |
| N20 | C59 | C65 | H652 | 140.8° | 140.8° |
| N20 | C59 | C65 | H653 | 20.8° | 20.8° |
| N20 | C59 | C69 | H691 | 178.0° | 178.0° |
| N20 | C59 | C69 | H692 | 55.3° | 55.3° |
| N38 | C39 | C40 | H391 | 120.0° | 120.0° |
| N38 | C39 | C40 | H392 | 119.7° | 119.6° |
| N38 | C39 | H391 | H392 | 119.7° | 119.6° |
| N38 | C39 | C40 | H401 | 13.7° | 13.7° |
| N38 | C39 | C40 | H402 | 106.3° | 106.3° |
| N38 | C39 | C40 | H403 | 133.7° | 133.7° |
| C40 | C39 | N38 | H38 | 141.0° | 141.0° |
| C40 | C39 | H391 | H392 | 119.6° | 119.7° |
| C39 | C40 | H401 | H402 | 120.0° | 120.0° |
| C39 | C40 | H401 | H403 | 120.0° | 120.0° |
| C39 | C40 | H402 | H403 | 120.0° | 120.0° |
| N46 | C47 | C48 | H471 | 120.0° | 120.0° |
| N46 | C47 | C48 | H472 | 121.8° | 121.8° |
| N46 | C47 | C48 | C49 | 21.3° | 21.3° |
| C47 | N46 | C50 | C49 | 0.3° | 0.3° |
| C47 | N46 | C50 | O57 | 179.7° | 179.7° |
| N46 | C47 | H471 | H472 | 121.9° | 121.9° |
| N46 | C47 | C48 | H481 | 98.7° | 98.7° |
| N46 | C47 | C48 | H482 | 142.8° | 142.8° |
| C50 | N46 | C47 | C48 | 13.7° | 13.7° |
| N46 | C50 | C49 | C48 | 13.2° | 13.2° |
| N46 | C50 | C49 | O57 | 180.0° | 180.0° |
| C50 | N46 | C47 | H471 | 133.7° | 133.7° |
| C50 | N46 | C47 | H472 | 108.1° | 108.1° |
| N46 | C50 | C49 | H491 | 133.2° | 133.2° |
| N46 | C50 | C49 | H492 | 109.0° | 109.0° |
| C47 | C48 | C49 | H481 | 120.0° | 120.0° |
| C47 | C48 | C49 | H482 | 121.5° | 121.5° |
| C47 | C48 | C49 | C50 | 20.8° | 20.8° |
| C48 | C47 | H471 | H472 | 121.9° | 121.9° |
| C47 | C48 | H481 | H482 | 121.6° | 121.6° |
| C47 | C48 | C49 | H491 | 140.8° | 140.8° |
| C47 | C48 | C49 | H492 | 101.3° | 101.3° |
| C48 | C49 | C50 | H491 | 120.0° | 120.0° |
| C48 | C49 | C50 | H492 | 122.2° | 122.2° |
| C48 | C49 | C50 | O57 | 166.8° | 166.8° |
| C49 | C48 | C47 | H471 | 141.3° | 141.3° |
| C49 | C48 | C47 | H472 | 100.5° | 100.5° |
| C49 | C48 | H481 | H482 | 121.6° | 121.6° |
| C48 | C49 | H491 | H492 | 122.5° | 122.5° |
| C50 | C49 | C48 | H481 | 99.2° | 99.2° |
| C50 | C49 | C48 | H482 | 142.4° | 142.4° |
| C50 | C49 | H491 | H492 | 122.4° | 122.4° |
| O57 | C50 | C49 | H491 | 46.8° | 46.8° |
| O57 | C50 | C49 | H492 | 71.0° | 71.0° |
| C61 | C59 | C65 | C69 | 121.2° | 121.2° |
| C61 | C59 | C69 | C70 | 179.3° | 179.3° |
| C61 | C59 | N20 | H20 | 178.9° | 178.9° |
| C59 | C61 | H611 | H612 | 120.0° | 120.0° |
| C59 | C61 | H611 | H613 | 120.0° | 120.0° |
| C59 | C61 | H612 | H613 | 120.0° | 120.0° |
| C61 | C59 | C65 | H651 | 18.4° | 18.4° |
| C61 | C59 | C65 | H652 | 101.7° | 101.7° |
| C61 | C59 | C65 | H653 | 138.3° | 138.3° |
| C61 | C59 | C69 | H691 | 60.6° | 60.6° |
| C61 | C59 | C69 | H692 | 62.1° | 62.1° |
| C65 | C59 | C69 | C70 | 60.3° | 60.3° |
| C65 | C59 | N20 | H20 | 60.5° | 60.5° |
| C65 | C59 | C61 | H611 | 137.9° | 137.9° |
| C65 | C59 | C61 | H612 | 17.8° | 17.9° |
| C65 | C59 | C61 | H613 | 102.1° | 102.1° |
| C59 | C65 | H651 | H652 | 120.0° | 120.0° |
| C59 | C65 | H651 | H653 | 120.0° | 120.0° |
| C59 | C65 | H652 | H653 | 120.0° | 120.0° |
| C65 | C59 | C69 | H691 | 59.7° | 59.7° |
| C65 | C59 | C69 | H692 | 177.6° | 177.6° |
| C59 | C69 | C70 | H691 | 120.0° | 120.0° |
| C59 | C69 | C70 | H692 | 117.3° | 117.3° |
| C59 | C69 | C70 | C73 | 179.2° | 179.2° |
| C69 | C59 | N20 | H20 | 61.8° | 61.8° |
| C69 | C59 | C61 | H611 | 16.2° | 16.2° |
| C69 | C59 | C61 | H612 | 103.8° | 103.8° |
| C69 | C59 | C61 | H613 | 136.2° | 136.2° |
| C69 | C59 | C65 | H651 | 139.6° | 139.6° |
| C69 | C59 | C65 | H652 | 19.6° | 19.6° |
| C69 | C59 | C65 | H653 | 100.4° | 100.4° |
| C59 | C69 | H691 | H692 | 117.5° | 117.5° |
| C59 | C69 | C70 | H701 | 60.7° | 60.7° |
| C59 | C69 | C70 | H702 | 60.5° | 60.5° |
| C69 | C70 | C73 | H701 | 120.0° | 120.0° |
| C69 | C70 | C73 | H702 | 118.8° | 118.8° |
| C69 | C70 | C73 | C76 | 179.7° | 179.7° |
| C70 | C69 | H691 | H692 | 117.5° | 117.5° |
| C69 | C70 | H701 | H702 | 118.8° | 118.8° |
| C69 | C70 | C73 | H731 | 59.7° | 59.7° |
| C69 | C70 | C73 | H732 | 62.4° | 62.4° |
| C70 | C73 | C76 | H731 | 120.0° | 120.0° |
| C70 | C73 | C76 | H732 | 117.9° | 117.9° |
| C70 | C73 | C76 | C79 | 175.0° | 175.0° |
| C70 | C73 | C76 | C83 | 54.0° | 54.0° |
| C73 | C70 | C69 | H691 | 59.3° | 59.3° |
| C73 | C70 | C69 | H692 | 63.5° | 63.5° |
| C73 | C70 | H701 | H702 | 118.8° | 118.8° |
| C70 | C73 | H731 | H732 | 118.0° | 118.0° |
| C70 | C73 | C76 | H76 | 64.5° | 64.4° |
| C73 | C76 | C79 | C83 | 123.1° | 123.1° |
| C73 | C76 | C79 | H76 | 118.3° | 118.4° |
| C73 | C76 | C83 | H76 | 118.2° | 118.2° |
| C76 | C73 | C70 | H701 | 60.3° | 60.3° |
| C76 | C73 | C70 | H702 | 60.9° | 60.9° |
| C76 | C73 | H731 | H732 | 118.1° | 118.1° |
| C73 | C76 | C79 | H791 | 165.7° | 165.7° |
| C73 | C76 | C79 | H792 | 74.3° | 74.3° |
| C73 | C76 | C79 | H793 | 45.7° | 45.7° |
| C73 | C76 | C83 | H831 | 7.6° | 7.6° |
| C73 | C76 | C83 | H832 | 127.6° | 127.6° |
| C73 | C76 | C83 | H833 | 112.4° | 112.4° |
| C79 | C76 | C83 | H76 | 120.6° | 120.5° |
| C79 | C76 | C73 | H731 | 55.0° | 55.0° |
| C79 | C76 | C73 | H732 | 67.1° | 67.1° |
| C76 | C79 | H791 | H792 | 120.0° | 120.0° |
| C76 | C79 | H791 | H793 | 120.0° | 120.0° |
| C76 | C79 | H792 | H793 | 120.0° | 120.0° |
| C79 | C76 | C83 | H831 | 113.6° | 113.6° |
| C79 | C76 | C83 | H832 | 6.3° | 6.4° |
| C79 | C76 | C83 | H833 | 126.3° | 126.3° |
| C83 | C76 | C73 | H731 | 66.0° | 66.0° |
| C83 | C76 | C73 | H732 | 171.9° | 171.9° |
| C83 | C76 | C79 | H791 | 71.3° | 71.3° |
| C83 | C76 | C79 | H792 | 48.7° | 48.7° |
| C83 | C76 | C79 | H793 | 168.7° | 168.7° |
| C76 | C83 | H831 | H832 | 120.0° | 120.0° |
| C76 | C83 | H831 | H833 | 120.0° | 120.0° |
| C76 | C83 | H832 | H833 | 120.0° | 120.0° |
| H2 | N2 | C3 | H3 | 162.0° | 162.0° |
| H3 | C3 | C4 | H4 | 168.4° | 168.3° |
| H3 | C3 | C5 | H5C1 | 159.4° | 159.4° |
| H3 | C3 | C5 | H5C2 | 37.7° | 37.7° |
| H4 | C4 | C6 | H6C1 | 48.6° | 48.6° |
| H4 | C4 | C6 | H6C2 | 169.3° | 169.3° |
| H4 | C4 | O21 | H21 | 91.6° | 91.6° |
| H6C1 | C6 | N20 | H20 | 163.9° | 163.9° |
| H6C2 | C6 | N20 | H20 | 75.5° | 75.5° |
| H38 | N38 | C39 | H391 | 99.0° | 99.0° |
| H38 | N38 | C39 | H392 | 21.4° | 21.4° |
| H15 | C15 | C16 | H16 | 0.3° | 0.3° |
| H19 | C19 | C18 | H18 | 0.0° | 0.0° |
| H16 | C16 | C17 | H17 | 0.3° | 0.3° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| H391 | C39 | C40 | H401 | 133.7° | 133.7° |
| H391 | C39 | C40 | H402 | 13.7° | 13.7° |
| H391 | C39 | C40 | H403 | 106.3° | 106.3° |
| H392 | C39 | C40 | H401 | 105.9° | 105.9° |
| H392 | C39 | C40 | H402 | 134.0° | 134.1° |
| H392 | C39 | C40 | H403 | 14.0° | 14.1° |
| H401 | C40 | H402 | H403 | 120.0° | 120.0° |
| H471 | C47 | C48 | H481 | 21.3° | 21.2° |
| H471 | C47 | C48 | H482 | 97.2° | 97.2° |
| H472 | C47 | C48 | H481 | 139.5° | 139.5° |
| H472 | C47 | C48 | H482 | 21.0° | 21.0° |
| H481 | C48 | C49 | H491 | 20.8° | 20.8° |
| H481 | C48 | C49 | H492 | 138.7° | 138.7° |
| H482 | C48 | C49 | H491 | 97.7° | 97.7° |
| H482 | C48 | C49 | H492 | 20.2° | 20.2° |
| H611 | C61 | H612 | H613 | 120.0° | 120.0° |
| H651 | C65 | H652 | H653 | 120.0° | 120.0° |
| H691 | C69 | C70 | H701 | 179.3° | 179.3° |
| H691 | C69 | C70 | H702 | 59.5° | 59.5° |
| H692 | C69 | C70 | H701 | 56.5° | 56.5° |
| H692 | C69 | C70 | H702 | 177.7° | 177.7° |
| H701 | C70 | C73 | H731 | 179.7° | 179.7° |
| H701 | C70 | C73 | H732 | 57.6° | 57.6° |
| H702 | C70 | C73 | H731 | 59.1° | 59.1° |
| H702 | C70 | C73 | H732 | 178.8° | 178.8° |
| H731 | C73 | C76 | H76 | 175.5° | 175.6° |
| H732 | C73 | C76 | H76 | 53.5° | 53.5° |
| H76 | C76 | C79 | H791 | 47.4° | 47.3° |
| H76 | C76 | C79 | H792 | 167.4° | 167.3° |
| H76 | C76 | C79 | H793 | 72.7° | 72.7° |
| H76 | C76 | C83 | H831 | 125.8° | 125.8° |
| H76 | C76 | C83 | H832 | 114.2° | 114.2° |
| H76 | C76 | C83 | H833 | 5.8° | 5.8° |
| H791 | C79 | H792 | H793 | 120.0° | 120.0° |
| H831 | C83 | H832 | H833 | 120.0° | 120.0° |
