ZY1
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 | 1.48Å | |
| N2 | C3 | sing | 1.46Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | O21 | sing | 1.43Å | 1.42Å | |
| C5 | C14 | sing | 1.51Å | 1.52Å | |
| C6 | N20 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | doub | 1.40Å | 1.43Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.43Å | Aromatic |
| C9 | C10 | sing | 1.37Å | 1.45Å | Aromatic |
| C10 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | N59 | sing | 1.40Å | 1.40Å | |
| C11 | C12 | sing | 1.40Å | 1.44Å | Aromatic |
| C11 | N56 | sing | 1.35Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C58 | sing | 1.47Å | 1.45Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| N20 | C37 | sing | 1.47Å | 1.47Å | |
| C37 | C39 | sing | 1.51Å | 1.51Å | |
| C39 | C42 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | C46 | sing | 1.38Å | 1.42Å | Aromatic |
| C42 | C43 | sing | 1.39Å | 1.43Å | Aromatic |
| C43 | C44 | doub | 1.39Å | 1.42Å | Aromatic |
| C43 | O47 | sing | 1.36Å | 1.40Å | |
| C44 | C45 | sing | 1.38Å | 1.41Å | Aromatic |
| C45 | C46 | doub | 1.38Å | 1.41Å | Aromatic |
| O47 | C48 | sing | 1.43Å | 1.42Å | |
| N56 | C57 | sing | 1.38Å | 1.36Å | Aromatic |
| N56 | C62 | sing | 1.48Å | 1.50Å | |
| C57 | C58 | doub | 1.34Å | 1.40Å | Aromatic |
| C58 | C68 | sing | 1.51Å | 1.53Å | |
| N59 | S60 | sing | 1.64Å | 1.67Å | |
| N59 | C75 | sing | 1.47Å | 1.49Å | |
| S60 | C61 | sing | 1.81Å | 1.78Å | |
| S60 | O79 | doub | 1.42Å | 1.43Å | |
| S60 | O80 | doub | 1.42Å | 1.44Å | |
| C61 | C62 | sing | 1.54Å | 1.55Å | |
| C68 | C69 | sing | 1.53Å | 1.53Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | 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 | H57 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C4 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | O7 | 120.7° | 120.0° |
| N2 | C1 | C8 | 117.1° | 120.0° |
| C1 | N2 | C3 | 122.4° | 120.0° |
| C1 | N2 | H2 | 118.8° | 120.0° |
| O7 | C1 | C8 | 122.1° | 120.0° |
| C1 | C8 | C9 | 124.0° | 119.8° |
| C1 | C8 | C13 | 117.3° | 119.8° |
| N2 | C3 | C4 | 112.3° | 109.5° |
| N2 | C3 | C5 | 105.4° | 109.5° |
| C3 | N2 | H2 | 118.8° | 120.0° |
| N2 | C3 | H3 | 112.6° | 109.5° |
| C4 | C3 | C5 | 115.4° | 109.4° |
| C3 | C4 | C6 | 115.7° | 109.5° |
| C3 | C4 | O21 | 107.6° | 109.4° |
| C4 | C3 | H3 | 102.0° | 109.4° |
| C3 | C4 | H4 | 106.0° | 109.4° |
| C3 | C5 | C14 | 115.2° | 109.5° |
| C5 | C3 | H3 | 109.4° | 109.5° |
| C3 | C5 | H51C | 107.6° | 109.5° |
| C3 | C5 | H52C | 106.3° | 109.5° |
| C6 | C4 | O21 | 107.8° | 109.5° |
| C4 | C6 | N20 | 110.6° | 109.5° |
| C4 | C6 | H61C | 109.1° | 109.5° |
| C4 | C6 | H62C | 108.8° | 109.5° |
| C6 | C4 | H4 | 105.8° | 109.5° |
| C4 | O21 | H21 | 109.5° | 114.0° |
| O21 | C4 | H4 | 114.2° | 109.4° |
| C5 | C14 | C15 | 120.5° | 120.0° |
| C5 | C14 | C19 | 120.8° | 120.0° |
| C14 | C5 | H51C | 107.6° | 109.5° |
| C14 | C5 | H52C | 106.3° | 109.4° |
| C6 | N20 | C37 | 114.8° | 111.0° |
| N20 | C6 | H61C | 109.1° | 109.4° |
| N20 | C6 | H62C | 108.8° | 109.4° |
| C6 | N20 | H20 | 107.7° | 111.0° |
| C9 | C8 | C13 | 118.6° | 120.3° |
| C8 | C9 | C10 | 120.5° | 120.2° |
| C8 | C9 | H9 | 119.7° | 119.9° |
| C8 | C13 | C12 | 121.1° | 119.7° |
| C8 | C13 | H13 | 119.4° | 120.2° |
| C9 | C10 | C11 | 118.9° | 119.9° |
| C9 | C10 | N59 | 120.7° | 123.0° |
| C10 | C9 | H9 | 119.7° | 119.9° |
| C11 | C10 | N59 | 120.3° | 117.1° |
| C10 | C11 | C12 | 120.3° | 119.7° |
| C10 | C11 | N56 | 132.6° | 131.3° |
| C10 | N59 | S60 | 114.1° | 120.3° |
| C10 | N59 | C75 | 114.9° | 119.8° |
| C12 | C11 | N56 | 107.1° | 109.0° |
| C11 | C12 | C13 | 120.5° | 119.8° |
| C11 | C12 | C58 | 106.8° | 104.9° |
| C11 | N56 | C57 | 108.9° | 108.4° |
| C11 | N56 | C62 | 124.5° | 129.0° |
| C13 | C12 | C58 | 132.7° | 135.3° |
| C12 | C13 | H13 | 119.5° | 120.2° |
| C12 | C58 | C57 | 106.4° | 106.9° |
| C12 | C58 | C68 | 127.6° | 126.5° |
| C15 | C14 | C19 | 118.7° | 120.0° |
| C14 | C15 | C16 | 120.6° | 120.0° |
| C14 | C15 | H15 | 119.7° | 120.0° |
| C14 | C19 | C18 | 120.7° | 120.0° |
| C14 | C19 | H19 | 119.6° | 120.0° |
| C15 | C16 | C17 | 120.1° | 120.0° |
| C16 | C15 | H15 | 119.7° | 120.0° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C18 | C17 | H17 | 120.1° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | H19 | 119.7° | 120.0° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| N20 | C37 | C39 | 112.3° | 109.5° |
| C37 | N20 | H20 | 107.7° | 111.0° |
| N20 | C37 | H371 | 108.5° | 109.5° |
| N20 | C37 | H372 | 107.9° | 109.4° |
| C37 | C39 | C42 | 120.1° | 120.0° |
| C37 | C39 | C46 | 120.6° | 120.0° |
| C39 | C37 | H371 | 108.5° | 109.5° |
| C39 | C37 | H372 | 107.9° | 109.5° |
| C42 | C39 | C46 | 119.2° | 120.1° |
| C39 | C42 | C43 | 121.0° | 119.9° |
| C39 | C42 | H42 | 119.5° | 120.0° |
| C39 | C46 | C45 | 120.3° | 120.1° |
| C39 | C46 | H46 | 119.9° | 119.9° |
| C42 | C43 | C44 | 118.5° | 119.9° |
| C42 | C43 | O47 | 126.0° | 120.0° |
| C43 | C42 | H42 | 119.5° | 120.0° |
| C44 | C43 | O47 | 115.5° | 120.1° |
| C43 | C44 | C45 | 120.8° | 120.0° |
| C43 | C44 | H44 | 119.6° | 120.0° |
| C43 | O47 | C48 | 118.7° | 117.0° |
| C44 | C45 | C46 | 120.1° | 120.0° |
| C45 | C44 | H44 | 119.6° | 120.0° |
| C44 | C45 | H45 | 119.9° | 120.0° |
| C45 | C46 | H46 | 119.8° | 120.0° |
| C46 | C45 | H45 | 119.9° | 120.0° |
| O47 | C48 | H481 | 109.5° | 109.5° |
| O47 | C48 | H482 | 109.5° | 109.5° |
| O47 | C48 | H483 | 109.5° | 109.5° |
| C57 | N56 | C62 | 126.6° | 122.5° |
| N56 | C57 | C58 | 110.8° | 110.0° |
| N56 | C57 | H57 | 124.6° | 125.0° |
| N56 | C62 | C61 | 122.0° | 109.6° |
| N56 | C62 | H621 | 105.5° | 109.4° |
| N56 | C62 | H622 | 102.6° | 109.4° |
| C57 | C58 | C68 | 125.9° | 126.6° |
| C58 | C57 | H57 | 124.6° | 125.0° |
| C58 | C68 | C69 | 110.8° | 109.4° |
| C58 | C68 | H681 | 109.0° | 109.5° |
| C58 | C68 | H682 | 108.7° | 109.5° |
| S60 | N59 | C75 | 114.2° | 119.8° |
| N59 | S60 | C61 | 107.3° | 108.4° |
| N59 | S60 | O79 | 108.8° | 103.6° |
| N59 | S60 | O80 | 107.0° | 103.5° |
| N59 | C75 | H751 | 109.5° | 109.4° |
| N59 | C75 | H752 | 109.5° | 109.5° |
| N59 | C75 | H753 | 109.4° | 109.4° |
| C61 | S60 | O79 | 107.2° | 109.9° |
| C61 | S60 | O80 | 108.8° | 110.0° |
| S60 | C61 | C62 | 115.6° | 111.2° |
| S60 | C61 | H611 | 107.5° | 109.2° |
| S60 | C61 | H612 | 106.1° | 109.1° |
| O79 | S60 | O80 | 117.4° | 120.5° |
| C61 | C62 | H621 | 105.5° | 109.5° |
| C61 | C62 | H622 | 102.6° | 109.5° |
| C62 | C61 | H611 | 107.5° | 109.2° |
| C62 | C61 | H612 | 106.1° | 109.1° |
| C69 | C68 | H681 | 109.0° | 109.4° |
| C69 | C68 | H682 | 108.7° | 109.4° |
| C68 | C69 | H691 | 109.5° | 109.5° |
| C68 | C69 | H692 | 109.5° | 109.4° |
| C68 | C69 | H693 | 109.4° | 109.4° |
| H51C | C5 | H52C | 114.1° | 109.5° |
| H61C | C6 | H62C | 110.4° | 109.5° |
| H371 | C37 | H372 | 111.7° | 109.5° |
| H481 | C48 | H482 | 109.5° | 109.5° |
| H481 | C48 | H483 | 109.5° | 109.5° |
| H482 | C48 | H483 | 109.5° | 109.4° |
| H621 | C62 | H622 | 119.9° | 109.5° |
| H681 | C68 | H682 | 110.6° | 109.5° |
| H751 | C75 | H752 | 109.5° | 109.5° |
| H751 | C75 | H753 | 109.5° | 109.5° |
| H752 | C75 | H753 | 109.5° | 109.5° |
| H611 | C61 | H612 | 114.4° | 109.1° |
| H691 | C69 | H692 | 109.5° | 109.5° |
| H691 | C69 | H693 | 109.4° | 109.5° |
| H692 | C69 | H693 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | O7 | C8 | 176.5° | 180.0° |
| C1 | N2 | C3 | H2 | 180.0° | 180.0° |
| C1 | N2 | C3 | C4 | 98.4° | 155.0° |
| C1 | N2 | C3 | C5 | 135.2° | 85.0° |
| N2 | C1 | C8 | C9 | 146.2° | 180.0° |
| N2 | C1 | C8 | C13 | 35.9° | 0.0° |
| C1 | N2 | C3 | H3 | 16.1° | 35.0° |
| O7 | C1 | N2 | C3 | 1.0° | 0.0° |
| O7 | C1 | C8 | C9 | 37.2° | 0.0° |
| O7 | C1 | C8 | C13 | 140.8° | 180.0° |
| O7 | C1 | N2 | H2 | 179.0° | 180.0° |
| C8 | C1 | N2 | C3 | 175.8° | 180.0° |
| C1 | C8 | C9 | C13 | 177.9° | 180.0° |
| C1 | C8 | C9 | C10 | 177.7° | 178.1° |
| C1 | C8 | C13 | C12 | 177.9° | 179.3° |
| C8 | C1 | N2 | H2 | 4.3° | 0.0° |
| C1 | C8 | C9 | H9 | 2.3° | 1.9° |
| C1 | C8 | C13 | H13 | 2.2° | 0.7° |
| N2 | C3 | C4 | C5 | 120.7° | 120.0° |
| N2 | C3 | C4 | H3 | 120.8° | 120.0° |
| N2 | C3 | C5 | H3 | 121.3° | 120.0° |
| N2 | C3 | C4 | C6 | 66.9° | 175.0° |
| N2 | C3 | C4 | O21 | 172.6° | 65.0° |
| N2 | C3 | C5 | C14 | 34.3° | 65.0° |
| N2 | C3 | C5 | H51C | 85.7° | 55.0° |
| N2 | C3 | C5 | H52C | 151.7° | 175.0° |
| N2 | C3 | C4 | H4 | 50.0° | 55.0° |
| C4 | C3 | C5 | H3 | 114.3° | 119.9° |
| C3 | C4 | C6 | O21 | 120.5° | 120.0° |
| C3 | C4 | C6 | H4 | 117.0° | 120.0° |
| C3 | C4 | O21 | H4 | 117.3° | 119.9° |
| C4 | C3 | C5 | C14 | 158.7° | 175.0° |
| C3 | C4 | C6 | N20 | 159.3° | 175.0° |
| C4 | C3 | N2 | H2 | 81.5° | 25.0° |
| C4 | C3 | C5 | H51C | 38.7° | 65.0° |
| C4 | C3 | C5 | H52C | 83.9° | 55.0° |
| C3 | C4 | C6 | H61C | 80.7° | 55.0° |
| C3 | C4 | C6 | H62C | 39.7° | 65.1° |
| C3 | C4 | O21 | H21 | 145.1° | 60.1° |
| C5 | C3 | C4 | C6 | 172.4° | 65.0° |
| C5 | C3 | C4 | O21 | 51.8° | 55.1° |
| C3 | C5 | C14 | H51C | 120.0° | 120.0° |
| C3 | C5 | C14 | H52C | 117.4° | 120.0° |
| C3 | C5 | C14 | C15 | 121.2° | 90.0° |
| C3 | C5 | C14 | C19 | 58.5° | 90.3° |
| C5 | C3 | N2 | H2 | 44.8° | 95.0° |
| C3 | C5 | H51C | H52C | 117.7° | 120.0° |
| C5 | C3 | C4 | H4 | 70.7° | 175.0° |
| C6 | C4 | O21 | H4 | 117.2° | 120.0° |
| C4 | C6 | N20 | H61C | 120.0° | 120.0° |
| C4 | C6 | N20 | H62C | 119.5° | 120.0° |
| C4 | C6 | N20 | C37 | 158.4° | 180.0° |
| C6 | C4 | C3 | H3 | 54.0° | 55.0° |
| C4 | C6 | H61C | H62C | 119.5° | 120.0° |
| C6 | C4 | O21 | H21 | 19.7° | 60.0° |
| C4 | C6 | N20 | H20 | 38.4° | 56.0° |
| O21 | C4 | C6 | N20 | 38.8° | 65.0° |
| O21 | C4 | C3 | H3 | 66.6° | 175.0° |
| O21 | C4 | C6 | H61C | 158.8° | 175.0° |
| O21 | C4 | C6 | H62C | 80.7° | 55.0° |
| C5 | C14 | C15 | C19 | 179.6° | 179.7° |
| C5 | C14 | C15 | C16 | 179.7° | 180.0° |
| C5 | C14 | C19 | C18 | 179.5° | 179.8° |
| C14 | C5 | C3 | H3 | 87.0° | 55.0° |
| C14 | C5 | H51C | H52C | 117.6° | 120.0° |
| C5 | C14 | C15 | H15 | 0.4° | 0.1° |
| C5 | C14 | C19 | H19 | 0.5° | 0.0° |
| C6 | N20 | C37 | H20 | 120.0° | 124.0° |
| C6 | N20 | C37 | C39 | 72.2° | 180.0° |
| N20 | C6 | H61C | H62C | 119.5° | 120.0° |
| C6 | N20 | C37 | H371 | 167.8° | 60.0° |
| C6 | N20 | C37 | H372 | 46.6° | 60.0° |
| N20 | C6 | C4 | H4 | 83.7° | 55.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.3° | 1.5° |
| C8 | C9 | C10 | N59 | 179.2° | 178.7° |
| C9 | C8 | C13 | C12 | 0.2° | 0.7° |
| C9 | C8 | C13 | H13 | 179.8° | 179.3° |
| C13 | C8 | C9 | C10 | 0.2° | 1.9° |
| C8 | C13 | C12 | C11 | 0.4° | 3.8° |
| C8 | C13 | C12 | H13 | 180.0° | 180.0° |
| C8 | C13 | C12 | C58 | 179.6° | 175.3° |
| C13 | C8 | C9 | H9 | 179.8° | 178.1° |
| C9 | C10 | C11 | N59 | 178.9° | 179.8° |
| C9 | C10 | C11 | C12 | 0.9° | 6.1° |
| C9 | C10 | C11 | N56 | 179.2° | 173.4° |
| C9 | C10 | N59 | S60 | 119.7° | 110.5° |
| C9 | C10 | N59 | C75 | 14.9° | 69.6° |
| C10 | C11 | C12 | N56 | 180.0° | 179.6° |
| C10 | C11 | C12 | C13 | 0.9° | 7.2° |
| C10 | C11 | C12 | C58 | 179.7° | 172.1° |
| C10 | C11 | N56 | C57 | 179.8° | 171.0° |
| C10 | C11 | N56 | C62 | 1.1° | 13.3° |
| C11 | C10 | N59 | S60 | 61.3° | 69.2° |
| C11 | C10 | N59 | C75 | 164.0° | 110.7° |
| C11 | C10 | C9 | H9 | 179.7° | 178.5° |
| N59 | C10 | C11 | C12 | 179.8° | 174.2° |
| N59 | C10 | C11 | N56 | 0.3° | 6.4° |
| C10 | N59 | S60 | C75 | 135.0° | 179.9° |
| C10 | N59 | S60 | C61 | 85.5° | 53.4° |
| C10 | N59 | S60 | O79 | 30.1° | 63.3° |
| C10 | N59 | S60 | O80 | 157.9° | 170.2° |
| N59 | C10 | C9 | H9 | 0.8° | 1.3° |
| C10 | N59 | C75 | H751 | 159.8° | 179.9° |
| C10 | N59 | C75 | H752 | 80.2° | 59.9° |
| C10 | N59 | C75 | H753 | 39.8° | 60.1° |
| C11 | C12 | C13 | C58 | 179.2° | 179.1° |
| C12 | C11 | N56 | C57 | 0.2° | 9.5° |
| C12 | C11 | N56 | C62 | 178.9° | 166.2° |
| C11 | C12 | C58 | C57 | 0.3° | 4.1° |
| C11 | C12 | C58 | C68 | 179.8° | 175.7° |
| C11 | C12 | C13 | H13 | 179.6° | 176.1° |
| N56 | C11 | C12 | C13 | 179.1° | 172.3° |
| N56 | C11 | C12 | C58 | 0.3° | 8.3° |
| C11 | N56 | C57 | C62 | 179.1° | 176.0° |
| C11 | N56 | C57 | C58 | 0.0° | 6.9° |
| C11 | N56 | C62 | C61 | 51.6° | 44.5° |
| C11 | N56 | C57 | H57 | 180.0° | 173.1° |
| C11 | N56 | C62 | H621 | 171.6° | 164.6° |
| C11 | N56 | C62 | H622 | 62.1° | 75.5° |
| C13 | C12 | C58 | C57 | 179.0° | 176.7° |
| C13 | C12 | C58 | C68 | 0.5° | 3.5° |
| C12 | C58 | C57 | N56 | 0.1° | 1.5° |
| C12 | C58 | C57 | C68 | 179.5° | 179.8° |
| C12 | C58 | C68 | C69 | 82.2° | 84.7° |
| C58 | C12 | C13 | H13 | 0.4° | 4.8° |
| C12 | C58 | C57 | H57 | 179.9° | 178.4° |
| C12 | C58 | C68 | H681 | 37.8° | 35.2° |
| C12 | C58 | C68 | H682 | 158.4° | 155.3° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C14 | C19 | C18 | 0.1° | 0.5° |
| C15 | C14 | C5 | H51C | 1.1° | 30.0° |
| C15 | C14 | C5 | H52C | 121.4° | 150.0° |
| C15 | C14 | C19 | H19 | 179.9° | 179.7° |
| C14 | C15 | C16 | H16 | 179.9° | 179.9° |
| C19 | C14 | C15 | C16 | 0.0° | 0.3° |
| C14 | C19 | C18 | C17 | 0.2° | 0.5° |
| C14 | C19 | C18 | H19 | 180.0° | 179.8° |
| C19 | C14 | C5 | H51C | 178.5° | 149.7° |
| C19 | C14 | C5 | H52C | 58.9° | 29.7° |
| C19 | C14 | C15 | H15 | 180.0° | 179.8° |
| C14 | C19 | C18 | H18 | 179.8° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.3° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 179.9° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | H19 | 179.8° | 179.7° |
| C18 | C17 | C16 | H16 | 179.9° | 180.0° |
| C19 | C18 | C17 | H17 | 179.9° | 179.8° |
| N20 | C37 | C39 | H371 | 120.0° | 120.0° |
| N20 | C37 | C39 | H372 | 118.8° | 120.0° |
| N20 | C37 | C39 | C42 | 52.2° | 90.0° |
| N20 | C37 | C39 | C46 | 127.6° | 90.3° |
| C37 | N20 | C6 | H61C | 81.6° | 60.0° |
| C37 | N20 | C6 | H62C | 38.9° | 60.0° |
| N20 | C37 | H371 | H372 | 118.8° | 120.0° |
| C37 | C39 | C42 | C46 | 179.9° | 179.7° |
| C37 | C39 | C42 | C43 | 179.9° | 180.0° |
| C37 | C39 | C46 | C45 | 179.9° | 179.8° |
| C39 | C37 | N20 | H20 | 47.8° | 56.0° |
| C39 | C37 | H371 | H372 | 118.8° | 120.0° |
| C37 | C39 | C42 | H42 | 0.1° | 0.1° |
| C37 | C39 | C46 | H46 | 0.1° | 0.0° |
| C39 | C42 | C43 | H42 | 180.0° | 180.0° |
| C39 | C42 | C43 | C44 | 0.1° | 0.0° |
| C39 | C42 | C43 | O47 | 179.8° | 180.0° |
| C42 | C39 | C46 | C45 | 0.0° | 0.5° |
| C42 | C39 | C37 | H371 | 67.7° | 30.0° |
| C42 | C39 | C37 | H372 | 171.0° | 150.0° |
| C42 | C39 | C46 | H46 | 180.0° | 179.7° |
| C46 | C39 | C42 | C43 | 0.0° | 0.2° |
| C39 | C46 | C45 | C44 | 0.0° | 0.5° |
| C39 | C46 | C45 | H46 | 180.0° | 179.8° |
| C46 | C39 | C37 | H371 | 112.4° | 149.7° |
| C46 | C39 | C37 | H372 | 8.9° | 29.7° |
| C46 | C39 | C42 | H42 | 180.0° | 179.8° |
| C39 | C46 | C45 | H45 | 180.0° | 179.8° |
| C42 | C43 | C44 | O47 | 179.7° | 180.0° |
| C42 | C43 | C44 | C45 | 0.1° | 0.0° |
| C42 | C43 | O47 | C48 | 26.0° | 180.0° |
| C42 | C43 | C44 | H44 | 179.9° | 179.9° |
| C43 | C44 | C45 | H44 | 180.0° | 179.9° |
| C43 | C44 | C45 | C46 | 0.0° | 0.3° |
| C44 | C43 | O47 | C48 | 154.3° | 0.0° |
| C44 | C43 | C42 | H42 | 180.0° | 180.0° |
| C43 | C44 | C45 | H45 | 180.0° | 180.0° |
| O47 | C43 | C44 | C45 | 179.8° | 180.0° |
| O47 | C43 | C42 | H42 | 0.2° | 0.0° |
| O47 | C43 | C44 | H44 | 0.2° | 0.1° |
| C43 | O47 | C48 | H481 | 11.5° | 60.0° |
| C43 | O47 | C48 | H482 | 131.5° | 60.0° |
| C43 | O47 | C48 | H483 | 108.5° | 180.0° |
| C44 | C45 | C46 | H45 | 180.0° | 179.7° |
| C44 | C45 | C46 | H46 | 180.0° | 179.7° |
| C46 | C45 | C44 | H44 | 180.0° | 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° |
| N56 | C57 | C58 | H57 | 180.0° | 179.9° |
| N56 | C57 | C58 | C68 | 179.7° | 178.7° |
| C57 | N56 | C62 | C61 | 129.4° | 130.6° |
| C57 | N56 | C62 | H621 | 9.5° | 10.6° |
| C57 | N56 | C62 | H622 | 116.9° | 109.4° |
| C62 | N56 | C57 | C58 | 179.1° | 169.1° |
| N56 | C62 | C61 | S60 | 41.2° | 79.4° |
| N56 | C62 | C61 | H621 | 120.0° | 120.0° |
| N56 | C62 | C61 | H622 | 113.7° | 120.0° |
| C62 | N56 | C57 | H57 | 0.9° | 10.9° |
| N56 | C62 | H621 | H622 | 114.9° | 119.9° |
| N56 | C62 | C61 | H611 | 161.2° | 41.1° |
| N56 | C62 | C61 | H612 | 76.0° | 160.2° |
| C57 | C58 | C68 | C69 | 98.4° | 95.0° |
| C57 | C58 | C68 | H681 | 141.7° | 145.0° |
| C57 | C58 | C68 | H682 | 21.1° | 24.9° |
| C58 | C68 | C69 | H681 | 120.0° | 120.0° |
| C58 | C68 | C69 | H682 | 119.4° | 120.0° |
| C68 | C58 | C57 | H57 | 0.3° | 1.4° |
| C58 | C68 | H681 | H682 | 119.4° | 120.0° |
| C58 | C68 | C69 | H691 | 27.0° | 60.0° |
| C58 | C68 | C69 | H692 | 93.0° | 60.0° |
| C58 | C68 | C69 | H693 | 147.0° | 180.0° |
| N59 | S60 | C61 | O79 | 116.7° | 112.6° |
| N59 | S60 | C61 | O80 | 115.4° | 112.5° |
| N59 | S60 | O79 | O80 | 121.6° | 114.9° |
| N59 | S60 | C61 | C62 | 26.2° | 32.1° |
| S60 | N59 | C75 | H751 | 25.2° | 0.0° |
| S60 | N59 | C75 | H752 | 145.2° | 120.0° |
| S60 | N59 | C75 | H753 | 94.8° | 120.0° |
| N59 | S60 | C61 | H611 | 93.7° | 88.4° |
| N59 | S60 | C61 | H612 | 143.4° | 152.5° |
| C75 | N59 | S60 | C61 | 139.5° | 126.5° |
| C75 | N59 | S60 | O79 | 104.8° | 116.8° |
| C75 | N59 | S60 | O80 | 22.9° | 9.7° |
| N59 | C75 | H751 | H752 | 120.0° | 120.0° |
| N59 | C75 | H751 | H753 | 120.0° | 119.9° |
| N59 | C75 | H752 | H753 | 120.0° | 119.9° |
| C61 | S60 | O79 | O80 | 122.7° | 129.4° |
| S60 | C61 | C62 | H611 | 120.0° | 120.5° |
| S60 | C61 | C62 | H612 | 117.2° | 120.3° |
| S60 | C61 | C62 | H621 | 161.2° | 160.6° |
| S60 | C61 | C62 | H622 | 72.5° | 40.6° |
| S60 | C61 | H611 | H612 | 117.5° | 119.1° |
| O79 | S60 | C61 | C62 | 90.5° | 144.7° |
| O79 | S60 | C61 | H611 | 149.5° | 24.2° |
| O79 | S60 | C61 | H612 | 26.7° | 94.9° |
| O80 | S60 | C61 | C62 | 141.6° | 80.4° |
| O80 | S60 | C61 | H611 | 21.7° | 159.1° |
| O80 | S60 | C61 | H612 | 101.2° | 39.9° |
| C61 | C62 | H621 | H622 | 114.8° | 120.0° |
| C62 | C61 | H611 | H612 | 117.5° | 119.1° |
| C69 | C68 | H681 | H682 | 119.4° | 120.0° |
| C68 | C69 | H691 | H692 | 120.0° | 120.0° |
| C68 | C69 | H691 | H693 | 120.0° | 120.0° |
| C68 | C69 | H692 | H693 | 120.0° | 119.9° |
| H2 | N2 | C3 | H3 | 164.0° | 145.0° |
| H3 | C3 | C5 | H51C | 153.0° | 175.0° |
| H3 | C3 | C5 | H52C | 30.4° | 64.9° |
| H3 | C3 | C4 | H4 | 170.9° | 65.0° |
| H61C | C6 | N20 | H20 | 158.4° | 176.1° |
| H61C | C6 | C4 | H4 | 36.3° | 65.0° |
| H62C | C6 | N20 | H20 | 81.1° | 63.9° |
| H62C | C6 | C4 | H4 | 156.8° | 175.0° |
| H21 | O21 | C4 | H4 | 97.6° | 180.0° |
| H20 | N20 | C37 | H371 | 72.2° | 176.0° |
| H20 | N20 | C37 | H372 | 166.6° | 64.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| H19 | C19 | C18 | H18 | 0.2° | 0.1° |
| H16 | C16 | C17 | H17 | 0.1° | 0.1° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H46 | C46 | C45 | H45 | 0.0° | 0.0° |
| H44 | C44 | C45 | H45 | 0.0° | 0.1° |
| H481 | C48 | H482 | H483 | 120.0° | 120.0° |
| H621 | C62 | C61 | H611 | 78.8° | 78.9° |
| H621 | C62 | C61 | H612 | 44.0° | 40.2° |
| H622 | C62 | C61 | H611 | 47.5° | 161.1° |
| H622 | C62 | C61 | H612 | 170.3° | 79.8° |
| H681 | C68 | C69 | H691 | 147.0° | 60.0° |
| H681 | C68 | C69 | H692 | 27.0° | 180.0° |
| H681 | C68 | C69 | H693 | 93.0° | 60.1° |
| H682 | C68 | C69 | H691 | 92.4° | 179.9° |
| H682 | C68 | C69 | H692 | 147.6° | 60.0° |
| H682 | C68 | C69 | H693 | 27.6° | 60.0° |
| H751 | C75 | H752 | H753 | 120.0° | 120.1° |
| H691 | C69 | H692 | H693 | 120.0° | 120.1° |
