ZY2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.35Å | 1.36Å | |
| C1 | O7 | doub | 1.22Å | 1.23Å | |
| C1 | C8 | sing | 1.48Å | 1.46Å | |
| N2 | C3 | sing | 1.46Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | O21 | sing | 1.43Å | 1.43Å | |
| C5 | C14 | sing | 1.51Å | 1.54Å | |
| C6 | N20 | sing | 1.47Å | 1.49Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.46Å | Aromatic |
| C10 | N59 | sing | 1.39Å | 1.42Å | |
| C11 | C12 | doub | 1.40Å | 1.45Å | Aromatic |
| C11 | N56 | sing | 1.40Å | 1.42Å | |
| C12 | C13 | sing | 1.39Å | 1.45Å | Aromatic |
| C12 | N1 | sing | 1.40Å | 1.42Å | |
| C14 | C15 | sing | 1.38Å | 1.44Å | Aromatic |
| C14 | C19 | doub | 1.38Å | 1.45Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.44Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.43Å | Aromatic |
| N20 | C37 | sing | 1.47Å | 1.48Å | |
| C37 | C39 | sing | 1.51Å | 1.53Å | |
| C39 | C42 | sing | 1.38Å | 1.44Å | Aromatic |
| C39 | C46 | doub | 1.38Å | 1.43Å | Aromatic |
| C42 | C43 | doub | 1.39Å | 1.44Å | Aromatic |
| C43 | C44 | sing | 1.39Å | 1.43Å | Aromatic |
| C43 | O47 | sing | 1.36Å | 1.40Å | |
| C44 | C45 | doub | 1.38Å | 1.43Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.43Å | Aromatic |
| O47 | C48 | sing | 1.43Å | 1.44Å | |
| N56 | C62 | sing | 1.48Å | 1.48Å | |
| N56 | C2 | sing | 1.47Å | 1.47Å | |
| C57 | N1 | sing | 1.46Å | 1.49Å | |
| C57 | C2 | sing | 1.53Å | 1.52Å | |
| N1 | C68 | sing | 1.47Å | 1.47Å | |
| N59 | S60 | sing | 1.66Å | 1.74Å | |
| N59 | C75 | sing | 1.47Å | 1.49Å | |
| S60 | C61 | sing | 1.82Å | 1.77Å | |
| S60 | O79 | doub | 1.42Å | 1.44Å | |
| S60 | O80 | doub | 1.42Å | 1.44Å | |
| C61 | C62 | sing | 1.55Å | 1.53Å | |
| C68 | C69 | sing | 1.53Å | 1.54Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| N20 | H20 | sing | 1.01Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C57 | H572 | sing | 1.09Å | 1.10Å | |
| C2 | H221 | sing | 1.09Å | 1.10Å | |
| C2 | H222 | sing | 1.09Å | 1.10Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| C68 | H681 | sing | 1.09Å | 1.10Å | |
| C68 | H682 | sing | 1.09Å | 1.10Å | |
| C75 | H751 | sing | 1.09Å | 1.10Å | |
| C75 | H752 | sing | 1.09Å | 1.10Å | |
| C75 | H753 | sing | 1.09Å | 1.10Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C69 | H691 | sing | 1.09Å | 1.10Å | |
| C69 | H692 | sing | 1.09Å | 1.10Å | |
| C69 | H693 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | O7 | 122.0° | 120.0° |
| N2 | C1 | C8 | 115.5° | 120.0° |
| C1 | N2 | C3 | 120.4° | 120.0° |
| C1 | N2 | H2 | 119.8° | 120.0° |
| O7 | C1 | C8 | 121.9° | 120.0° |
| C1 | C8 | C9 | 120.3° | 120.6° |
| C1 | C8 | C13 | 119.6° | 120.6° |
| N2 | C3 | C4 | 114.5° | 109.4° |
| N2 | C3 | C5 | 108.1° | 109.5° |
| C3 | N2 | H2 | 119.8° | 120.1° |
| N2 | C3 | H3 | 108.2° | 109.5° |
| C4 | C3 | C5 | 112.8° | 109.5° |
| C3 | C4 | C6 | 111.5° | 109.5° |
| C3 | C4 | O21 | 110.8° | 109.5° |
| C4 | C3 | H3 | 103.0° | 109.5° |
| C3 | C4 | H4 | 105.9° | 109.5° |
| C3 | C5 | C14 | 113.4° | 109.5° |
| C5 | C3 | H3 | 110.1° | 109.5° |
| C3 | C5 | H51C | 108.2° | 109.5° |
| C3 | C5 | H52C | 107.3° | 109.5° |
| C6 | C4 | O21 | 105.3° | 109.4° |
| C4 | C6 | N20 | 109.0° | 109.5° |
| C6 | C4 | H4 | 111.4° | 109.4° |
| C4 | C6 | H61C | 109.6° | 109.4° |
| C4 | C6 | H62C | 109.7° | 109.5° |
| O21 | C4 | H4 | 112.0° | 109.5° |
| C4 | O21 | H21 | 109.5° | 114.0° |
| C5 | C14 | C15 | 116.9° | 120.0° |
| C5 | C14 | C19 | 122.9° | 120.0° |
| C14 | C5 | H51C | 108.2° | 109.5° |
| C14 | C5 | H52C | 107.3° | 109.5° |
| C6 | N20 | C37 | 110.6° | 111.0° |
| N20 | C6 | H61C | 109.6° | 109.4° |
| N20 | C6 | H62C | 109.7° | 109.5° |
| C6 | N20 | H20 | 109.1° | 111.0° |
| C9 | C8 | C13 | 120.1° | 118.8° |
| C8 | C9 | C10 | 120.8° | 120.4° |
| C8 | C9 | H9 | 119.6° | 119.8° |
| C8 | C13 | C12 | 121.3° | 120.9° |
| C8 | C13 | H13 | 119.3° | 119.5° |
| C9 | C10 | C11 | 120.5° | 121.3° |
| C9 | C10 | N59 | 114.9° | 117.8° |
| C10 | C9 | H9 | 119.6° | 119.8° |
| C11 | C10 | N59 | 123.5° | 120.8° |
| C10 | C11 | C12 | 118.7° | 117.8° |
| C10 | C11 | N56 | 123.5° | 121.5° |
| C10 | N59 | S60 | 119.3° | 120.6° |
| C10 | N59 | C75 | 115.8° | 119.7° |
| C12 | C11 | N56 | 117.7° | 120.6° |
| C11 | C12 | C13 | 118.6° | 120.8° |
| C11 | C12 | N1 | 121.5° | 123.5° |
| C11 | N56 | C62 | 124.1° | 112.6° |
| C11 | N56 | C2 | 124.6° | 114.0° |
| C13 | C12 | N1 | 119.9° | 115.7° |
| C12 | C13 | H13 | 119.3° | 119.6° |
| C12 | N1 | C57 | 122.4° | 112.7° |
| C12 | N1 | C68 | 123.5° | 111.0° |
| C15 | C14 | C19 | 120.2° | 120.0° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C14 | C19 | C18 | 119.7° | 120.0° |
| C14 | C19 | H19 | 120.2° | 120.0° |
| C15 | C16 | C17 | 119.3° | 120.0° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | H16 | 120.4° | 120.0° |
| C16 | C17 | C18 | 121.3° | 120.0° |
| C17 | C16 | H16 | 120.3° | 120.0° |
| C16 | C17 | H17 | 119.3° | 120.0° |
| C17 | C18 | C19 | 119.5° | 120.0° |
| C18 | C17 | H17 | 119.3° | 120.0° |
| C17 | C18 | H18 | 120.2° | 120.0° |
| C18 | C19 | H19 | 120.2° | 120.0° |
| C19 | C18 | H18 | 120.3° | 120.0° |
| N20 | C37 | C39 | 110.9° | 109.5° |
| C37 | N20 | H20 | 109.1° | 111.0° |
| N20 | C37 | H371 | 109.0° | 109.5° |
| N20 | C37 | H372 | 108.7° | 109.5° |
| C37 | C39 | C42 | 120.0° | 120.0° |
| C37 | C39 | C46 | 119.9° | 120.0° |
| C39 | C37 | H371 | 109.0° | 109.5° |
| C39 | C37 | H372 | 108.7° | 109.4° |
| C42 | C39 | C46 | 120.1° | 120.0° |
| C39 | C42 | C43 | 119.6° | 120.0° |
| C39 | C42 | H42 | 120.2° | 120.0° |
| C39 | C46 | C45 | 120.7° | 120.1° |
| C39 | C46 | H46 | 119.7° | 120.0° |
| C42 | C43 | C44 | 119.1° | 119.9° |
| C42 | C43 | O47 | 124.9° | 120.1° |
| C43 | C42 | H42 | 120.2° | 120.0° |
| C44 | C43 | O47 | 116.0° | 120.1° |
| C43 | C44 | C45 | 121.6° | 120.0° |
| C43 | C44 | H44 | 119.2° | 120.0° |
| C43 | O47 | C48 | 119.5° | 117.0° |
| C44 | C45 | C46 | 119.0° | 120.0° |
| C45 | C44 | H44 | 119.2° | 120.0° |
| C44 | C45 | H45 | 120.5° | 120.0° |
| C45 | C46 | H46 | 119.6° | 119.9° |
| C46 | C45 | H45 | 120.5° | 120.0° |
| O47 | C48 | H481 | 109.5° | 109.5° |
| O47 | C48 | H482 | 109.5° | 109.5° |
| O47 | C48 | H483 | 109.5° | 109.5° |
| C62 | N56 | C2 | 110.9° | 107.7° |
| N56 | C62 | C61 | 117.5° | 107.1° |
| N56 | C62 | H621 | 106.9° | 110.0° |
| N56 | C62 | H622 | 105.0° | 109.9° |
| N56 | C2 | C57 | 116.6° | 110.2° |
| N56 | C2 | H221 | 107.1° | 109.3° |
| N56 | C2 | H222 | 105.5° | 109.3° |
| N1 | C57 | C2 | 116.0° | 108.0° |
| C57 | N1 | C68 | 114.1° | 111.0° |
| N1 | C57 | H571 | 107.4° | 109.7° |
| N1 | C57 | H572 | 105.9° | 109.8° |
| C2 | C57 | H571 | 107.4° | 109.7° |
| C2 | C57 | H572 | 105.9° | 109.8° |
| C57 | C2 | H221 | 107.2° | 109.3° |
| C57 | C2 | H222 | 105.5° | 109.3° |
| N1 | C68 | C69 | 109.9° | 109.4° |
| N1 | C68 | H681 | 109.3° | 109.5° |
| N1 | C68 | H682 | 109.3° | 109.4° |
| S60 | N59 | C75 | 122.3° | 119.7° |
| N59 | S60 | C61 | 107.3° | 100.9° |
| N59 | S60 | O79 | 106.5° | 104.9° |
| N59 | S60 | O80 | 105.0° | 104.9° |
| N59 | C75 | H751 | 109.5° | 109.5° |
| N59 | C75 | H752 | 109.5° | 109.5° |
| N59 | C75 | H753 | 109.5° | 109.5° |
| C61 | S60 | O79 | 108.7° | 111.0° |
| C61 | S60 | O80 | 109.8° | 111.0° |
| S60 | C61 | C62 | 110.7° | 106.2° |
| S60 | C61 | H611 | 109.1° | 110.1° |
| S60 | C61 | H612 | 108.8° | 110.1° |
| O79 | S60 | O80 | 119.0° | 121.6° |
| C61 | C62 | H621 | 106.9° | 109.9° |
| C61 | C62 | H622 | 105.0° | 109.9° |
| C62 | C61 | H611 | 109.1° | 110.1° |
| C62 | C61 | H612 | 108.8° | 110.1° |
| C69 | C68 | H681 | 109.3° | 109.5° |
| C69 | C68 | H682 | 109.2° | 109.4° |
| C68 | C69 | H691 | 109.5° | 109.5° |
| C68 | C69 | H692 | 109.4° | 109.5° |
| C68 | C69 | H693 | 109.4° | 109.5° |
| H51C | C5 | H52C | 112.6° | 109.4° |
| H61C | C6 | H62C | 109.1° | 109.4° |
| H371 | C37 | H372 | 110.6° | 109.5° |
| H481 | C48 | H482 | 109.4° | 109.5° |
| H481 | C48 | H483 | 109.5° | 109.4° |
| H482 | C48 | H483 | 109.5° | 109.5° |
| H571 | C57 | H572 | 114.7° | 109.8° |
| H221 | C2 | H222 | 115.2° | 109.2° |
| H621 | C62 | H622 | 116.0° | 110.0° |
| H681 | C68 | H682 | 109.7° | 109.5° |
| H751 | C75 | H752 | 109.4° | 109.5° |
| H751 | C75 | H753 | 109.5° | 109.5° |
| H752 | C75 | H753 | 109.5° | 109.4° |
| H611 | C61 | H612 | 110.4° | 110.2° |
| H691 | C69 | H692 | 109.5° | 109.4° |
| H691 | C69 | H693 | 109.5° | 109.5° |
| H692 | C69 | H693 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | O7 | C8 | 170.9° | 179.7° |
| C1 | N2 | C3 | H2 | 180.0° | 179.9° |
| C1 | N2 | C3 | C4 | 97.3° | 155.0° |
| C1 | N2 | C3 | C5 | 136.1° | 85.0° |
| N2 | C1 | C8 | C9 | 141.3° | 0.1° |
| N2 | C1 | C8 | C13 | 40.1° | 179.7° |
| C1 | N2 | C3 | H3 | 17.0° | 35.1° |
| O7 | C1 | N2 | C3 | 3.6° | 0.1° |
| O7 | C1 | C8 | C9 | 47.2° | 179.7° |
| O7 | C1 | C8 | C13 | 131.4° | 0.6° |
| O7 | C1 | N2 | H2 | 176.4° | 180.0° |
| C8 | C1 | N2 | C3 | 167.9° | 179.7° |
| C1 | C8 | C9 | C13 | 178.7° | 179.7° |
| C1 | C8 | C9 | C10 | 177.9° | 179.0° |
| C1 | C8 | C13 | C12 | 178.1° | 179.6° |
| C8 | C1 | N2 | H2 | 12.1° | 0.3° |
| C1 | C8 | C9 | H9 | 2.1° | 0.9° |
| C1 | C8 | C13 | H13 | 1.9° | 0.7° |
| N2 | C3 | C4 | C5 | 124.2° | 120.0° |
| N2 | C3 | C4 | H3 | 117.2° | 120.0° |
| N2 | C3 | C5 | H3 | 118.0° | 120.0° |
| N2 | C3 | C4 | C6 | 72.7° | 175.0° |
| N2 | C3 | C4 | O21 | 170.4° | 65.0° |
| N2 | C3 | C5 | C14 | 49.4° | 65.0° |
| N2 | C3 | C4 | H4 | 48.6° | 55.0° |
| N2 | C3 | C5 | H51C | 70.6° | 55.0° |
| N2 | C3 | C5 | H52C | 167.6° | 175.0° |
| C4 | C3 | C5 | H3 | 114.4° | 120.0° |
| C3 | C4 | C6 | O21 | 120.3° | 120.0° |
| C3 | C4 | C6 | H4 | 118.1° | 120.0° |
| C3 | C4 | O21 | H4 | 118.1° | 120.0° |
| C4 | C3 | C5 | C14 | 177.0° | 175.0° |
| C3 | C4 | C6 | N20 | 179.6° | 175.0° |
| C4 | C3 | N2 | H2 | 82.8° | 25.0° |
| C4 | C3 | C5 | H51C | 57.0° | 65.0° |
| C4 | C3 | C5 | H52C | 64.8° | 55.0° |
| C3 | C4 | C6 | H61C | 60.4° | 55.0° |
| C3 | C4 | C6 | H62C | 59.4° | 64.9° |
| C3 | C4 | O21 | H21 | 150.1° | 60.0° |
| C5 | C3 | C4 | C6 | 163.2° | 65.0° |
| C5 | C3 | C4 | O21 | 46.2° | 55.0° |
| C3 | C5 | C14 | H51C | 120.0° | 120.0° |
| C3 | C5 | C14 | H52C | 118.3° | 120.0° |
| C3 | C5 | C14 | C15 | 136.4° | 90.0° |
| C3 | C5 | C14 | C19 | 42.6° | 90.3° |
| C5 | C3 | N2 | H2 | 43.8° | 95.0° |
| C5 | C3 | C4 | H4 | 75.5° | 175.0° |
| C3 | C5 | H51C | H52C | 118.4° | 120.0° |
| C6 | C4 | O21 | H4 | 121.2° | 120.0° |
| C4 | C6 | N20 | H61C | 120.0° | 120.0° |
| C4 | C6 | N20 | H62C | 120.2° | 120.1° |
| C4 | C6 | N20 | C37 | 176.7° | 180.0° |
| C6 | C4 | C3 | H3 | 44.5° | 55.0° |
| C4 | C6 | H61C | H62C | 120.2° | 119.9° |
| C6 | C4 | O21 | H21 | 29.4° | 60.0° |
| C4 | C6 | N20 | H20 | 56.7° | 56.0° |
| O21 | C4 | C6 | N20 | 59.4° | 65.0° |
| O21 | C4 | C3 | H3 | 72.4° | 175.0° |
| O21 | C4 | C6 | H61C | 179.4° | 175.0° |
| O21 | C4 | C6 | H62C | 60.8° | 55.1° |
| C5 | C14 | C15 | C19 | 179.0° | 179.8° |
| C5 | C14 | C15 | C16 | 179.1° | 180.0° |
| C5 | C14 | C19 | C18 | 179.0° | 179.7° |
| C14 | C5 | C3 | H3 | 68.6° | 55.0° |
| C14 | C5 | H51C | H52C | 118.4° | 120.0° |
| C5 | C14 | C15 | H15 | 0.9° | 0.0° |
| C5 | C14 | C19 | H19 | 1.0° | 0.0° |
| C6 | N20 | C37 | H20 | 120.0° | 124.0° |
| C6 | N20 | C37 | C39 | 63.2° | 180.0° |
| N20 | C6 | C4 | H4 | 62.3° | 55.0° |
| N20 | C6 | H61C | H62C | 120.2° | 120.0° |
| C6 | N20 | C37 | H371 | 176.8° | 60.0° |
| C6 | N20 | C37 | H372 | 56.2° | 60.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.3° | 1.5° |
| C8 | C9 | C10 | N59 | 168.0° | 176.6° |
| C9 | C8 | C13 | C12 | 0.6° | 0.1° |
| C9 | C8 | C13 | H13 | 179.4° | 179.6° |
| C13 | C8 | C9 | C10 | 0.8° | 1.3° |
| C8 | C13 | C12 | C11 | 0.7° | 1.2° |
| C8 | C13 | C12 | H13 | 180.0° | 179.6° |
| C8 | C13 | C12 | N1 | 179.5° | 176.2° |
| C13 | C8 | C9 | H9 | 179.2° | 178.8° |
| C9 | C10 | C11 | N59 | 167.3° | 178.1° |
| C9 | C10 | C11 | C12 | 1.6° | 0.3° |
| C9 | C10 | C11 | N56 | 174.5° | 176.7° |
| C9 | C10 | N59 | S60 | 130.1° | 134.1° |
| C9 | C10 | N59 | C75 | 67.9° | 45.8° |
| C10 | C11 | C12 | N56 | 176.4° | 177.0° |
| C10 | C11 | C12 | C13 | 1.7° | 1.1° |
| C10 | C11 | C12 | N1 | 178.4° | 176.2° |
| C10 | C11 | N56 | C62 | 7.6° | 46.9° |
| C10 | C11 | N56 | C2 | 179.3° | 169.9° |
| C11 | C10 | N59 | S60 | 37.9° | 47.7° |
| C11 | C10 | N59 | C75 | 124.1° | 132.3° |
| C11 | C10 | C9 | H9 | 179.7° | 178.6° |
| N59 | C10 | C11 | C12 | 165.7° | 177.8° |
| N59 | C10 | C11 | N56 | 18.2° | 5.3° |
| C10 | N59 | S60 | C75 | 160.8° | 179.9° |
| C10 | N59 | S60 | C61 | 78.4° | 88.5° |
| C10 | N59 | S60 | O79 | 37.8° | 26.9° |
| C10 | N59 | S60 | O80 | 164.8° | 156.1° |
| N59 | C10 | C9 | H9 | 12.0° | 3.3° |
| C10 | N59 | C75 | H751 | 0.4° | 90.0° |
| C10 | N59 | C75 | H752 | 119.6° | 150.0° |
| C10 | N59 | C75 | H753 | 120.4° | 30.1° |
| C11 | C12 | C13 | N1 | 179.8° | 177.4° |
| C12 | C11 | N56 | C62 | 168.6° | 136.3° |
| C12 | C11 | N56 | C2 | 3.1° | 13.2° |
| C11 | C12 | N1 | C57 | 2.0° | 19.1° |
| C11 | C12 | N1 | C68 | 179.8° | 144.3° |
| C11 | C12 | C13 | H13 | 179.3° | 178.4° |
| N56 | C11 | C12 | C13 | 174.6° | 178.0° |
| N56 | C11 | C12 | N1 | 5.2° | 0.8° |
| C11 | N56 | C62 | C2 | 172.7° | 126.5° |
| C11 | N56 | C2 | C57 | 5.7° | 45.0° |
| C11 | N56 | C62 | C61 | 77.9° | 107.9° |
| C11 | N56 | C2 | H221 | 114.3° | 75.3° |
| C11 | N56 | C2 | H222 | 122.4° | 165.2° |
| C11 | N56 | C62 | H621 | 162.1° | 132.7° |
| C11 | N56 | C62 | H622 | 38.3° | 11.4° |
| C13 | C12 | N1 | C57 | 178.2° | 158.3° |
| C13 | C12 | N1 | C68 | 0.0° | 33.1° |
| C12 | N1 | C57 | C68 | 178.4° | 125.2° |
| C12 | N1 | C57 | C2 | 10.7° | 49.4° |
| C12 | N1 | C68 | C69 | 95.3° | 176.1° |
| N1 | C12 | C13 | H13 | 0.5° | 4.2° |
| C12 | N1 | C57 | H571 | 109.3° | 70.1° |
| C12 | N1 | C57 | H572 | 127.7° | 169.1° |
| C12 | N1 | C68 | H681 | 24.7° | 63.9° |
| C12 | N1 | C68 | H682 | 144.8° | 56.2° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C15 | C14 | C19 | C18 | 0.0° | 0.5° |
| C15 | C14 | C5 | H51C | 16.4° | 30.1° |
| C15 | C14 | C5 | H52C | 105.3° | 150.0° |
| C15 | C14 | C19 | H19 | 180.0° | 179.7° |
| C14 | C15 | C16 | H16 | 179.8° | 179.9° |
| C19 | C14 | C15 | C16 | 0.1° | 0.3° |
| C14 | C19 | C18 | C17 | 0.0° | 0.5° |
| C14 | C19 | C18 | H19 | 180.0° | 179.7° |
| C19 | C14 | C5 | H51C | 162.6° | 149.7° |
| C19 | C14 | C5 | H52C | 75.7° | 29.7° |
| C19 | C14 | C15 | H15 | 179.9° | 179.7° |
| C14 | C19 | C18 | H18 | 180.0° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H17 | 179.8° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.2° |
| C17 | C16 | C15 | H15 | 179.8° | 180.0° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | H19 | 180.0° | 179.8° |
| C18 | C17 | C16 | H16 | 179.8° | 180.0° |
| C19 | C18 | C17 | H17 | 179.9° | 179.8° |
| N20 | C37 | C39 | H371 | 120.0° | 120.0° |
| N20 | C37 | C39 | H372 | 119.4° | 120.0° |
| N20 | C37 | C39 | C42 | 48.2° | 90.0° |
| N20 | C37 | C39 | C46 | 131.0° | 90.2° |
| C37 | N20 | C6 | H61C | 63.3° | 60.0° |
| C37 | N20 | C6 | H62C | 56.5° | 60.0° |
| N20 | C37 | H371 | H372 | 119.5° | 120.0° |
| C37 | C39 | C42 | C46 | 179.2° | 179.8° |
| C37 | C39 | C42 | C43 | 179.0° | 180.0° |
| C37 | C39 | C46 | C45 | 179.0° | 179.7° |
| C39 | C37 | N20 | H20 | 56.8° | 56.0° |
| C39 | C37 | H371 | H372 | 119.4° | 119.9° |
| C37 | C39 | C42 | H42 | 1.0° | 0.1° |
| C37 | C39 | C46 | H46 | 0.9° | 0.1° |
| C39 | C42 | C43 | H42 | 180.0° | 179.9° |
| C39 | C42 | C43 | C44 | 0.0° | 0.1° |
| C39 | C42 | C43 | O47 | 179.8° | 180.0° |
| C42 | C39 | C46 | C45 | 0.1° | 0.5° |
| C42 | C39 | C37 | H371 | 71.8° | 30.1° |
| C42 | C39 | C37 | H372 | 167.6° | 150.0° |
| C42 | C39 | C46 | H46 | 179.9° | 179.7° |
| C46 | C39 | C42 | C43 | 0.2° | 0.2° |
| C39 | C46 | C45 | C44 | 0.1° | 0.5° |
| C39 | C46 | C45 | H46 | 180.0° | 179.8° |
| C46 | C39 | C37 | H371 | 109.0° | 149.7° |
| C46 | C39 | C37 | H372 | 11.6° | 29.8° |
| C46 | C39 | C42 | H42 | 179.8° | 179.8° |
| C39 | C46 | C45 | H45 | 179.9° | 179.7° |
| C42 | C43 | C44 | O47 | 179.9° | 179.9° |
| C42 | C43 | C44 | C45 | 0.2° | 0.0° |
| C42 | C43 | O47 | C48 | 0.1° | 180.0° |
| C42 | C43 | C44 | H44 | 179.8° | 179.9° |
| C43 | C44 | C45 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.3° | 0.3° |
| C44 | C43 | O47 | C48 | 180.0° | 0.0° |
| C44 | C43 | C42 | H42 | 180.0° | 180.0° |
| C43 | C44 | C45 | H45 | 179.7° | 180.0° |
| O47 | C43 | C44 | C45 | 179.9° | 179.9° |
| O47 | C43 | C42 | H42 | 0.2° | 0.1° |
| O47 | C43 | C44 | H44 | 0.1° | 0.0° |
| C43 | O47 | C48 | H481 | 25.1° | 60.0° |
| C43 | O47 | C48 | H482 | 145.0° | 60.0° |
| C43 | O47 | C48 | H483 | 95.0° | 179.9° |
| C44 | C45 | C46 | H45 | 180.0° | 179.7° |
| C44 | C45 | C46 | H46 | 179.9° | 179.7° |
| C46 | C45 | C44 | H44 | 179.7° | 179.8° |
| O47 | C48 | H481 | H482 | 120.0° | 120.0° |
| O47 | C48 | H481 | H483 | 120.0° | 120.0° |
| O47 | C48 | H482 | H483 | 120.0° | 120.0° |
| C62 | N56 | C2 | C57 | 178.4° | 170.6° |
| N56 | C62 | C61 | S60 | 55.0° | 54.7° |
| N56 | C62 | C61 | H621 | 120.0° | 119.5° |
| N56 | C62 | C61 | H622 | 116.2° | 119.4° |
| C62 | N56 | C2 | H221 | 58.4° | 50.4° |
| C62 | N56 | C2 | H222 | 64.9° | 69.1° |
| N56 | C62 | H621 | H622 | 116.7° | 121.2° |
| N56 | C62 | C61 | H611 | 175.0° | 173.9° |
| N56 | C62 | C61 | H612 | 64.5° | 64.4° |
| N56 | C2 | C57 | N1 | 12.1° | 63.8° |
| N56 | C2 | C57 | H221 | 120.0° | 120.2° |
| N56 | C2 | C57 | H222 | 116.7° | 120.2° |
| C2 | N56 | C62 | C61 | 109.4° | 125.6° |
| N56 | C2 | C57 | H571 | 108.0° | 55.8° |
| N56 | C2 | C57 | H572 | 129.1° | 176.6° |
| N56 | C2 | H221 | H222 | 117.1° | 119.6° |
| C2 | N56 | C62 | H621 | 10.6° | 6.2° |
| C2 | N56 | C62 | H622 | 134.4° | 115.1° |
| N1 | C57 | C2 | H571 | 120.0° | 119.6° |
| N1 | C57 | C2 | H572 | 117.1° | 119.7° |
| C57 | N1 | C68 | C69 | 83.0° | 57.6° |
| N1 | C57 | H571 | H572 | 117.3° | 120.7° |
| N1 | C57 | C2 | H221 | 107.9° | 56.5° |
| N1 | C57 | C2 | H222 | 128.8° | 176.0° |
| C57 | N1 | C68 | H681 | 157.0° | 62.3° |
| C57 | N1 | C68 | H682 | 36.8° | 177.6° |
| C2 | C57 | N1 | C68 | 171.0° | 174.7° |
| C2 | C57 | H571 | H572 | 117.3° | 120.8° |
| C57 | C2 | H221 | H222 | 117.1° | 119.6° |
| N1 | C68 | C69 | H681 | 120.0° | 120.0° |
| N1 | C68 | C69 | H682 | 119.9° | 119.9° |
| C68 | N1 | C57 | H571 | 69.0° | 55.1° |
| C68 | N1 | C57 | H572 | 53.9° | 65.6° |
| N1 | C68 | H681 | H682 | 119.8° | 120.0° |
| N1 | C68 | C69 | H691 | 7.4° | 60.0° |
| N1 | C68 | C69 | H692 | 112.6° | 60.0° |
| N1 | C68 | C69 | H693 | 127.4° | 180.0° |
| N59 | S60 | C61 | O79 | 114.8° | 110.8° |
| N59 | S60 | C61 | O80 | 113.6° | 110.8° |
| N59 | S60 | O79 | O80 | 118.2° | 118.4° |
| N59 | S60 | C61 | C62 | 24.4° | 31.0° |
| S60 | N59 | C75 | H751 | 161.1° | 89.9° |
| S60 | N59 | C75 | H752 | 78.9° | 30.1° |
| S60 | N59 | C75 | H753 | 41.1° | 150.0° |
| N59 | S60 | C61 | H611 | 95.6° | 88.2° |
| N59 | S60 | C61 | H612 | 143.9° | 150.1° |
| C75 | N59 | S60 | C61 | 82.4° | 91.5° |
| C75 | N59 | S60 | O79 | 161.4° | 153.0° |
| C75 | N59 | S60 | O80 | 34.3° | 23.9° |
| N59 | C75 | H751 | H752 | 120.0° | 120.0° |
| N59 | C75 | H751 | H753 | 120.0° | 120.1° |
| N59 | C75 | H752 | H753 | 120.0° | 120.0° |
| C61 | S60 | O79 | O80 | 126.5° | 133.4° |
| S60 | C61 | C62 | H611 | 120.0° | 119.2° |
| S60 | C61 | C62 | H612 | 119.5° | 119.1° |
| S60 | C61 | C62 | H621 | 175.0° | 174.2° |
| S60 | C61 | C62 | H622 | 61.2° | 64.7° |
| S60 | C61 | H611 | H612 | 119.5° | 121.6° |
| O79 | S60 | C61 | C62 | 90.4° | 79.7° |
| O79 | S60 | C61 | H611 | 149.6° | 161.1° |
| O79 | S60 | C61 | H612 | 29.1° | 39.4° |
| O80 | S60 | C61 | C62 | 138.0° | 141.8° |
| O80 | S60 | C61 | H611 | 17.9° | 22.6° |
| O80 | S60 | C61 | H612 | 102.6° | 99.1° |
| C61 | C62 | H621 | H622 | 116.7° | 121.1° |
| C62 | C61 | H611 | H612 | 119.5° | 121.7° |
| C69 | C68 | H681 | H682 | 119.8° | 120.0° |
| C68 | C69 | H691 | H692 | 120.0° | 120.0° |
| C68 | C69 | H691 | H693 | 120.0° | 120.0° |
| C68 | C69 | H692 | H693 | 120.0° | 120.0° |
| H2 | N2 | C3 | H3 | 163.0° | 145.0° |
| H3 | C3 | C4 | H4 | 165.8° | 65.0° |
| H3 | C3 | C5 | H51C | 171.4° | 175.0° |
| H3 | C3 | C5 | H52C | 49.6° | 65.0° |
| H4 | C4 | C6 | H61C | 57.7° | 65.0° |
| H4 | C4 | C6 | H62C | 177.5° | 175.1° |
| H4 | C4 | O21 | H21 | 91.8° | 180.0° |
| H61C | C6 | N20 | H20 | 176.7° | 176.0° |
| H62C | C6 | N20 | H20 | 63.5° | 64.0° |
| H20 | N20 | C37 | H371 | 63.2° | 176.0° |
| H20 | N20 | C37 | H372 | 176.2° | 64.0° |
| H15 | C15 | C16 | H16 | 0.2° | 0.1° |
| H19 | C19 | C18 | H18 | 0.0° | 0.0° |
| H16 | C16 | C17 | H17 | 0.2° | 0.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H46 | C46 | C45 | H45 | 0.2° | 0.1° |
| H44 | C44 | C45 | H45 | 0.3° | 0.0° |
| H481 | C48 | H482 | H483 | 120.0° | 119.9° |
| H571 | C57 | C2 | H221 | 132.1° | 176.0° |
| H571 | C57 | C2 | H222 | 8.8° | 64.4° |
| H572 | C57 | C2 | H221 | 9.1° | 63.2° |
| H572 | C57 | C2 | H222 | 114.2° | 56.3° |
| H621 | C62 | C61 | H611 | 65.0° | 66.6° |
| H621 | C62 | C61 | H612 | 55.5° | 55.1° |
| H622 | C62 | C61 | H611 | 58.8° | 54.5° |
| H622 | C62 | C61 | H612 | 179.3° | 176.2° |
| H681 | C68 | C69 | H691 | 127.4° | 180.0° |
| H681 | C68 | C69 | H692 | 7.4° | 60.0° |
| H681 | C68 | C69 | H693 | 112.6° | 60.0° |
| H682 | C68 | C69 | H691 | 112.5° | 60.0° |
| H682 | C68 | C69 | H692 | 127.6° | 180.0° |
| H682 | C68 | C69 | H693 | 7.5° | 60.1° |
| H751 | C75 | H752 | H753 | 120.0° | 120.0° |
| H691 | C69 | H692 | H693 | 120.0° | 120.0° |
