ZY4
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 | 1.24Å | |
| C1 | C8 | sing | 1.48Å | 1.46Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | O21 | sing | 1.43Å | 1.40Å | |
| C4 | O2 | sing | 1.43Å | 1.40Å | |
| C5 | C14 | sing | 1.51Å | 1.53Å | |
| C6 | N20 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C9 | C10 | doub | 1.37Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.42Å | 1.43Å | Aromatic |
| C10 | N59 | sing | 1.40Å | 1.39Å | |
| C11 | C12 | doub | 1.40Å | 1.46Å | Aromatic |
| C11 | C7 | sing | 1.44Å | 1.48Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N1 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C19 | doub | 1.38Å | 1.44Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| N20 | C39 | sing | 1.47Å | 1.47Å | |
| C39 | C42 | sing | 1.53Å | 1.54Å | |
| C39 | C46 | sing | 1.53Å | 1.55Å | |
| C42 | C43 | sing | 1.53Å | 1.55Å | |
| C43 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C45 | sing | 1.43Å | 1.44Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C7 | C57 | doub | 1.35Å | 1.39Å | Aromatic |
| C7 | C20 | sing | 1.52Å | 1.53Å | |
| C57 | N1 | sing | 1.37Å | 1.35Å | Aromatic |
| N1 | C68 | sing | 1.46Å | 1.48Å | |
| N59 | S60 | sing | 1.63Å | 1.64Å | |
| N59 | C2 | sing | 1.46Å | 1.47Å | |
| S60 | C61 | sing | 1.81Å | 1.78Å | |
| S60 | O79 | doub | 1.42Å | 1.44Å | |
| S60 | O80 | doub | 1.42Å | 1.43Å | |
| C61 | C20 | sing | 1.54Å | 1.53Å | |
| C68 | C69 | sing | 1.53Å | 1.54Å | |
| 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 | |
| O2 | HA | sing | 0.97Å | 0.95Å | |
| O21 | HB | 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 | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C68 | H681 | sing | 1.09Å | 1.10Å | |
| C68 | H682 | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C2 | H23C | 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 | 122.3° | 120.0° |
| N2 | C1 | C8 | 115.0° | 120.0° |
| C1 | N2 | C3 | 121.9° | 120.1° |
| C1 | N2 | H2 | 119.0° | 120.0° |
| O7 | C1 | C8 | 122.7° | 120.0° |
| C1 | C8 | C9 | 119.2° | 119.5° |
| C1 | C8 | C13 | 121.2° | 119.5° |
| N2 | C3 | C4 | 108.4° | 109.5° |
| N2 | C3 | C5 | 109.7° | 109.5° |
| C3 | N2 | H2 | 119.1° | 119.9° |
| N2 | C3 | H3 | 110.5° | 109.4° |
| C4 | C3 | C5 | 111.1° | 109.5° |
| C3 | C4 | C6 | 110.4° | 109.5° |
| C3 | C4 | O21 | 110.2° | 109.5° |
| C3 | C4 | O2 | 109.3° | 109.5° |
| C4 | C3 | H3 | 109.2° | 109.5° |
| C3 | C5 | C14 | 112.8° | 109.5° |
| C5 | C3 | H3 | 107.9° | 109.5° |
| C3 | C5 | H51C | 108.4° | 109.5° |
| C3 | C5 | H52C | 107.6° | 109.5° |
| C6 | C4 | O21 | 105.3° | 109.4° |
| C6 | C4 | O2 | 112.9° | 109.5° |
| C4 | C6 | N20 | 115.8° | 109.5° |
| C4 | C6 | H61C | 107.4° | 109.5° |
| C4 | C6 | H62C | 106.0° | 109.5° |
| O21 | C4 | O2 | 108.7° | 109.5° |
| C4 | O21 | HB | 109.5° | 114.0° |
| C4 | O2 | HA | 109.5° | 114.0° |
| C5 | C14 | C15 | 119.9° | 120.0° |
| C5 | C14 | C19 | 121.6° | 120.0° |
| C14 | C5 | H51C | 108.4° | 109.5° |
| C14 | C5 | H52C | 107.7° | 109.4° |
| C6 | N20 | C39 | 117.3° | 111.0° |
| N20 | C6 | H61C | 107.4° | 109.5° |
| N20 | C6 | H62C | 106.0° | 109.5° |
| C6 | N20 | H20 | 107.0° | 111.0° |
| C9 | C8 | C13 | 119.6° | 121.0° |
| C8 | C9 | C10 | 121.6° | 119.6° |
| C8 | C9 | H9 | 119.2° | 120.2° |
| C8 | C13 | C12 | 120.8° | 120.0° |
| C8 | C13 | H13 | 119.6° | 120.0° |
| C9 | C10 | C11 | 118.4° | 119.3° |
| C9 | C10 | N59 | 117.6° | 124.4° |
| C10 | C9 | H9 | 119.2° | 120.2° |
| C11 | C10 | N59 | 123.9° | 116.2° |
| C10 | C11 | C12 | 119.8° | 121.0° |
| C10 | C11 | C7 | 134.4° | 130.9° |
| C10 | N59 | S60 | 119.9° | 121.0° |
| C10 | N59 | C2 | 120.3° | 119.5° |
| C12 | C11 | C7 | 105.7° | 108.1° |
| C11 | C12 | C13 | 119.8° | 118.7° |
| C11 | C12 | N1 | 107.4° | 105.8° |
| C11 | C7 | C57 | 105.6° | 106.1° |
| C11 | C7 | C20 | 131.7° | 128.6° |
| C13 | C12 | N1 | 132.9° | 135.5° |
| C12 | C13 | H13 | 119.6° | 120.0° |
| C12 | N1 | C57 | 109.4° | 109.9° |
| C12 | N1 | C68 | 125.4° | 125.0° |
| C15 | C14 | C19 | 118.5° | 120.0° |
| C14 | C15 | C16 | 120.7° | 120.0° |
| C14 | C15 | H15 | 119.7° | 119.9° |
| C14 | C19 | C18 | 120.7° | 119.9° |
| C14 | C19 | H19 | 119.6° | 120.0° |
| C15 | C16 | C17 | 120.3° | 120.0° |
| C16 | C15 | H15 | 119.6° | 120.0° |
| C15 | C16 | H16 | 119.8° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.0° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C16 | C17 | H17 | 120.1° | 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 | C39 | C42 | 112.4° | 109.5° |
| N20 | C39 | C46 | 111.3° | 109.5° |
| C39 | N20 | H20 | 106.9° | 111.0° |
| N20 | C39 | H39 | 105.7° | 109.6° |
| C42 | C39 | C46 | 108.1° | 109.0° |
| C39 | C42 | C43 | 111.8° | 109.2° |
| C42 | C39 | H39 | 109.1° | 109.6° |
| C39 | C42 | H421 | 108.7° | 109.6° |
| C39 | C42 | H422 | 108.2° | 109.5° |
| C39 | C46 | C45 | 110.5° | 109.2° |
| C46 | C39 | H39 | 110.2° | 109.6° |
| C39 | C46 | H461 | 109.1° | 109.5° |
| C39 | C46 | H462 | 108.9° | 109.5° |
| C42 | C43 | O1 | 109.3° | 109.4° |
| C43 | C42 | H421 | 108.7° | 109.5° |
| C43 | C42 | H422 | 108.2° | 109.5° |
| C42 | C43 | H431 | 109.5° | 109.5° |
| C42 | C43 | H432 | 109.6° | 109.5° |
| C43 | O1 | C45 | 116.0° | 114.1° |
| O1 | C43 | H431 | 109.5° | 109.5° |
| O1 | C43 | H432 | 109.5° | 109.5° |
| O1 | C45 | C46 | 109.3° | 109.5° |
| O1 | C45 | H451 | 109.5° | 109.5° |
| O1 | C45 | H452 | 109.5° | 109.5° |
| C45 | C46 | H461 | 109.1° | 109.6° |
| C45 | C46 | H462 | 108.9° | 109.5° |
| C46 | C45 | H451 | 109.5° | 109.5° |
| C46 | C45 | H452 | 109.6° | 109.4° |
| C57 | C7 | C20 | 122.7° | 125.1° |
| C7 | C57 | N1 | 111.9° | 109.8° |
| C7 | C57 | H57 | 124.1° | 125.1° |
| C7 | C20 | C61 | 119.9° | 108.9° |
| C7 | C20 | H201 | 106.1° | 109.5° |
| C7 | C20 | H202 | 103.7° | 109.6° |
| C57 | N1 | C68 | 125.2° | 125.1° |
| N1 | C57 | H57 | 124.0° | 125.1° |
| N1 | C68 | C69 | 114.4° | 109.5° |
| N1 | C68 | H681 | 107.9° | 109.5° |
| N1 | C68 | H682 | 106.7° | 109.5° |
| S60 | N59 | C2 | 119.7° | 119.5° |
| N59 | S60 | C61 | 106.8° | 110.0° |
| N59 | S60 | O79 | 107.9° | 103.3° |
| N59 | S60 | O80 | 107.1° | 103.3° |
| N59 | C2 | H21C | 109.5° | 109.5° |
| N59 | C2 | H22C | 109.5° | 109.5° |
| N59 | C2 | H23C | 109.5° | 109.5° |
| C61 | S60 | O79 | 109.2° | 109.7° |
| C61 | S60 | O80 | 107.9° | 109.7° |
| S60 | C61 | C20 | 115.7° | 111.6° |
| S60 | C61 | H611 | 107.5° | 109.0° |
| S60 | C61 | H612 | 106.0° | 109.0° |
| O79 | S60 | O80 | 117.4° | 120.0° |
| C61 | C20 | H201 | 106.1° | 109.5° |
| C61 | C20 | H202 | 103.7° | 109.6° |
| C20 | C61 | H611 | 107.5° | 109.0° |
| C20 | C61 | H612 | 106.0° | 109.1° |
| C69 | C68 | H681 | 107.9° | 109.4° |
| C69 | C68 | H682 | 106.7° | 109.5° |
| C68 | C69 | H691 | 109.5° | 109.4° |
| C68 | C69 | H692 | 109.5° | 109.5° |
| C68 | C69 | H693 | 109.4° | 109.5° |
| H51C | C5 | H52C | 112.1° | 109.5° |
| H61C | C6 | H62C | 114.6° | 109.4° |
| H421 | C42 | H422 | 111.3° | 109.6° |
| H461 | C46 | H462 | 110.3° | 109.5° |
| H431 | C43 | H432 | 109.4° | 109.6° |
| H451 | C45 | H452 | 109.4° | 109.5° |
| H201 | C20 | H202 | 118.1° | 109.7° |
| H681 | C68 | H682 | 113.4° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.4° |
| H21C | C2 | H23C | 109.4° | 109.5° |
| H22C | C2 | H23C | 109.5° | 109.4° |
| H611 | C61 | H612 | 114.4° | 109.0° |
| H691 | C69 | H692 | 109.5° | 109.5° |
| H691 | C69 | H693 | 109.5° | 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 | 179.9° | 179.7° |
| C1 | N2 | C3 | H2 | 180.0° | 180.0° |
| C1 | N2 | C3 | C4 | 109.7° | 155.0° |
| C1 | N2 | C3 | C5 | 128.9° | 85.0° |
| N2 | C1 | C8 | C9 | 133.4° | 180.0° |
| N2 | C1 | C8 | C13 | 47.1° | 0.3° |
| C1 | N2 | C3 | H3 | 10.0° | 35.0° |
| O7 | C1 | N2 | C3 | 17.7° | 0.0° |
| O7 | C1 | C8 | C9 | 46.7° | 0.3° |
| O7 | C1 | C8 | C13 | 132.8° | 179.4° |
| O7 | C1 | N2 | H2 | 162.3° | 180.0° |
| C8 | C1 | N2 | C3 | 162.1° | 179.7° |
| C1 | C8 | C9 | C13 | 179.5° | 179.7° |
| C1 | C8 | C9 | C10 | 179.5° | 178.2° |
| C1 | C8 | C13 | C12 | 179.6° | 178.4° |
| C8 | C1 | N2 | H2 | 17.9° | 0.3° |
| C1 | C8 | C9 | H9 | 0.5° | 1.9° |
| C1 | C8 | C13 | H13 | 0.4° | 2.0° |
| N2 | C3 | C4 | C5 | 120.6° | 120.0° |
| N2 | C3 | C4 | H3 | 120.5° | 120.0° |
| N2 | C3 | C5 | H3 | 120.5° | 119.9° |
| N2 | C3 | C4 | C6 | 72.6° | 175.0° |
| N2 | C3 | C4 | O21 | 171.5° | 65.1° |
| N2 | C3 | C4 | O2 | 52.2° | 55.0° |
| N2 | C3 | C5 | C14 | 50.2° | 65.0° |
| N2 | C3 | C5 | H51C | 69.8° | 55.1° |
| N2 | C3 | C5 | H52C | 168.8° | 175.1° |
| C4 | C3 | C5 | H3 | 119.6° | 120.0° |
| C3 | C4 | C6 | O21 | 119.0° | 120.0° |
| C3 | C4 | C6 | O2 | 122.6° | 120.1° |
| C3 | C4 | O21 | O2 | 119.7° | 120.1° |
| C4 | C3 | C5 | C14 | 170.1° | 175.0° |
| C3 | C4 | C6 | N20 | 179.8° | 180.0° |
| C4 | C3 | N2 | H2 | 70.3° | 25.1° |
| C4 | C3 | C5 | H51C | 50.1° | 65.0° |
| C4 | C3 | C5 | H52C | 71.3° | 55.0° |
| C3 | C4 | C6 | H61C | 60.2° | 60.0° |
| C3 | C4 | C6 | H62C | 62.6° | 59.9° |
| C3 | C4 | O2 | HA | 88.2° | 60.0° |
| C3 | C4 | O21 | HB | 149.4° | 60.0° |
| C5 | C3 | C4 | C6 | 166.8° | 65.0° |
| C5 | C3 | C4 | O21 | 50.9° | 55.0° |
| C5 | C3 | C4 | O2 | 68.4° | 175.0° |
| C3 | C5 | C14 | H51C | 120.0° | 120.0° |
| C3 | C5 | C14 | H52C | 118.6° | 120.0° |
| C3 | C5 | C14 | C15 | 129.0° | 90.0° |
| C3 | C5 | C14 | C19 | 50.9° | 90.3° |
| C5 | C3 | N2 | H2 | 51.2° | 95.0° |
| C3 | C5 | H51C | H52C | 118.6° | 120.0° |
| C6 | C4 | O21 | O2 | 121.2° | 120.0° |
| C4 | C6 | N20 | H61C | 120.0° | 120.0° |
| C4 | C6 | N20 | H62C | 117.1° | 120.0° |
| C4 | C6 | N20 | C39 | 176.7° | 180.0° |
| C6 | C4 | C3 | H3 | 47.9° | 55.0° |
| C4 | C6 | H61C | H62C | 117.4° | 120.0° |
| C6 | C4 | O2 | HA | 35.1° | 60.0° |
| C6 | C4 | O21 | HB | 30.3° | 60.0° |
| C4 | C6 | N20 | H20 | 56.7° | 56.1° |
| O21 | C4 | C6 | N20 | 60.8° | 60.0° |
| O21 | C4 | C3 | H3 | 68.0° | 175.0° |
| O21 | C4 | C6 | H61C | 179.2° | 180.0° |
| O21 | C4 | C6 | H62C | 56.3° | 60.0° |
| O21 | C4 | O2 | HA | 151.5° | 180.0° |
| O2 | C4 | C6 | N20 | 57.6° | 59.9° |
| O2 | C4 | C3 | H3 | 172.7° | 65.0° |
| O2 | C4 | C6 | H61C | 62.4° | 60.0° |
| O2 | C4 | C6 | H62C | 174.7° | 180.0° |
| O2 | C4 | O21 | HB | 90.9° | 179.9° |
| C5 | C14 | C15 | C19 | 179.9° | 179.8° |
| C5 | C14 | C15 | C16 | 180.0° | 180.0° |
| C5 | C14 | C19 | C18 | 179.9° | 179.8° |
| C14 | C5 | C3 | H3 | 70.3° | 55.0° |
| C14 | C5 | H51C | H52C | 118.7° | 120.0° |
| C5 | C14 | C15 | H15 | 0.0° | 0.0° |
| C5 | C14 | C19 | H19 | 0.1° | 0.0° |
| C6 | N20 | C39 | H20 | 120.0° | 123.9° |
| C6 | N20 | C39 | C42 | 59.8° | 155.0° |
| C6 | N20 | C39 | C46 | 178.8° | 85.4° |
| N20 | C6 | H61C | H62C | 117.4° | 120.0° |
| C6 | N20 | C39 | H39 | 59.1° | 34.8° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.0° | 2.6° |
| C8 | C9 | C10 | N59 | 179.5° | 175.0° |
| C9 | C8 | C13 | C12 | 0.1° | 1.3° |
| C9 | C8 | C13 | H13 | 179.9° | 178.3° |
| C13 | C8 | C9 | C10 | 0.0° | 1.5° |
| C8 | C13 | C12 | C11 | 0.2° | 2.9° |
| C8 | C13 | C12 | H13 | 180.0° | 179.6° |
| C8 | C13 | C12 | N1 | 179.9° | 175.9° |
| C13 | C8 | C9 | H9 | 180.0° | 178.4° |
| C9 | C10 | C11 | N59 | 179.5° | 177.8° |
| C9 | C10 | C11 | C12 | 0.1° | 7.0° |
| C9 | C10 | C11 | C7 | 180.0° | 175.0° |
| C9 | C10 | N59 | S60 | 142.3° | 112.4° |
| C9 | C10 | N59 | C2 | 40.1° | 67.7° |
| C10 | C11 | C12 | C7 | 180.0° | 178.5° |
| C10 | C11 | C12 | C13 | 0.2° | 7.1° |
| C10 | C11 | C12 | N1 | 180.0° | 172.0° |
| C10 | C11 | C7 | C57 | 180.0° | 172.5° |
| C10 | C11 | C7 | C20 | 0.3° | 12.7° |
| C11 | C10 | N59 | S60 | 38.3° | 69.9° |
| C11 | C10 | N59 | C2 | 139.4° | 110.0° |
| C11 | C10 | C9 | H9 | 180.0° | 177.6° |
| N59 | C10 | C11 | C12 | 179.5° | 170.8° |
| N59 | C10 | C11 | C7 | 0.5° | 7.2° |
| C10 | N59 | S60 | C2 | 177.7° | 179.9° |
| C10 | N59 | S60 | C61 | 77.7° | 55.2° |
| C10 | N59 | S60 | O79 | 39.7° | 61.9° |
| C10 | N59 | S60 | O80 | 166.9° | 172.3° |
| N59 | C10 | C9 | H9 | 0.5° | 4.9° |
| C10 | N59 | C2 | H21C | 13.6° | 90.1° |
| C10 | N59 | C2 | H22C | 106.4° | 150.0° |
| C10 | N59 | C2 | H23C | 133.6° | 29.9° |
| C11 | C12 | C13 | N1 | 179.7° | 178.8° |
| C12 | C11 | C7 | C57 | 0.0° | 5.8° |
| C12 | C11 | C7 | C20 | 179.7° | 169.1° |
| C11 | C12 | N1 | C57 | 0.1° | 4.8° |
| C11 | C12 | N1 | C68 | 179.8° | 175.2° |
| C11 | C12 | C13 | H13 | 179.8° | 177.4° |
| C7 | C11 | C12 | C13 | 179.8° | 174.4° |
| C7 | C11 | C12 | N1 | 0.0° | 6.4° |
| C11 | C7 | C57 | C20 | 179.7° | 175.1° |
| C11 | C7 | C57 | N1 | 0.0° | 2.9° |
| C11 | C7 | C20 | C61 | 3.3° | 43.7° |
| C11 | C7 | C57 | H57 | 179.9° | 177.2° |
| C11 | C7 | C20 | H201 | 116.7° | 163.4° |
| C11 | C7 | C20 | H202 | 118.3° | 76.2° |
| C13 | C12 | N1 | C57 | 179.8° | 176.3° |
| C13 | C12 | N1 | C68 | 0.4° | 3.7° |
| C12 | N1 | C57 | C7 | 0.1° | 1.2° |
| C12 | N1 | C57 | C68 | 179.8° | 180.0° |
| C12 | N1 | C68 | C69 | 79.5° | 85.0° |
| N1 | C12 | C13 | H13 | 0.0° | 3.8° |
| C12 | N1 | C57 | H57 | 179.9° | 178.8° |
| C12 | N1 | C68 | H681 | 40.5° | 155.0° |
| C12 | N1 | C68 | H682 | 162.7° | 35.1° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C14 | C19 | C18 | 0.0° | 0.5° |
| C15 | C14 | C5 | H51C | 9.0° | 30.0° |
| C15 | C14 | C5 | H52C | 112.4° | 150.0° |
| C15 | C14 | C19 | H19 | 180.0° | 179.7° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C19 | C14 | C15 | C16 | 0.0° | 0.3° |
| C14 | C19 | C18 | C17 | 0.0° | 0.5° |
| C14 | C19 | C18 | H19 | 180.0° | 179.8° |
| C19 | C14 | C5 | H51C | 170.9° | 149.7° |
| C19 | C14 | C5 | H52C | 67.6° | 29.8° |
| C19 | C14 | C15 | H15 | 180.0° | 179.7° |
| C14 | C19 | C18 | H18 | 180.0° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 179.9° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.0° | 0.2° |
| C17 | C16 | C15 | H15 | 179.9° | 179.9° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | H19 | 180.0° | 179.7° |
| C18 | C17 | C16 | H16 | 179.9° | 180.0° |
| C19 | C18 | C17 | H17 | 180.0° | 179.9° |
| N20 | C39 | C42 | C46 | 123.3° | 119.9° |
| N20 | C39 | C42 | H39 | 116.9° | 120.2° |
| N20 | C39 | C46 | H39 | 117.0° | 120.2° |
| N20 | C39 | C42 | C43 | 177.9° | 176.8° |
| N20 | C39 | C46 | C45 | 179.5° | 176.8° |
| C39 | N20 | C6 | H61C | 63.3° | 60.0° |
| C39 | N20 | C6 | H62C | 59.6° | 60.0° |
| N20 | C39 | C42 | H421 | 57.9° | 56.9° |
| N20 | C39 | C42 | H422 | 63.1° | 63.3° |
| N20 | C39 | C46 | H461 | 60.5° | 63.2° |
| N20 | C39 | C46 | H462 | 60.0° | 56.9° |
| C42 | C39 | C46 | H39 | 119.1° | 119.9° |
| C39 | C42 | C43 | H421 | 120.0° | 120.0° |
| C39 | C42 | C43 | H422 | 119.0° | 119.9° |
| C39 | C42 | C43 | O1 | 54.4° | 57.6° |
| C42 | C39 | C46 | C45 | 55.6° | 57.0° |
| C42 | C39 | N20 | H20 | 179.8° | 81.0° |
| C39 | C42 | H421 | H422 | 119.0° | 120.2° |
| C42 | C39 | C46 | H461 | 175.6° | 176.9° |
| C42 | C39 | C46 | H462 | 63.9° | 62.9° |
| C39 | C42 | C43 | H431 | 174.4° | 177.6° |
| C39 | C42 | C43 | H432 | 65.6° | 62.3° |
| C46 | C39 | C42 | C43 | 54.6° | 57.0° |
| C39 | C46 | C45 | O1 | 57.0° | 57.6° |
| C39 | C46 | C45 | H461 | 120.0° | 120.0° |
| C39 | C46 | C45 | H462 | 119.5° | 119.9° |
| C46 | C39 | N20 | H20 | 58.8° | 38.5° |
| C46 | C39 | C42 | H421 | 65.4° | 62.9° |
| C46 | C39 | C42 | H422 | 173.7° | 176.9° |
| C39 | C46 | H461 | H462 | 119.6° | 120.2° |
| C39 | C46 | C45 | H451 | 177.0° | 177.6° |
| C39 | C46 | C45 | H452 | 63.0° | 62.4° |
| C42 | C43 | O1 | H431 | 120.0° | 119.9° |
| C42 | C43 | O1 | H432 | 120.1° | 119.9° |
| C42 | C43 | O1 | C45 | 57.8° | 61.1° |
| C43 | C42 | C39 | H39 | 65.2° | 62.9° |
| C43 | C42 | H421 | H422 | 119.1° | 120.1° |
| C42 | C43 | H431 | H432 | 120.1° | 120.0° |
| C43 | O1 | C45 | C46 | 59.5° | 61.1° |
| O1 | C43 | C42 | H421 | 65.6° | 62.3° |
| O1 | C43 | C42 | H422 | 173.4° | 177.5° |
| O1 | C43 | H431 | H432 | 120.0° | 120.1° |
| C43 | O1 | C45 | H451 | 179.5° | 178.8° |
| C43 | O1 | C45 | H452 | 60.6° | 58.8° |
| O1 | C45 | C46 | H451 | 120.0° | 120.0° |
| O1 | C45 | C46 | H452 | 120.0° | 120.0° |
| O1 | C45 | C46 | H461 | 177.0° | 177.5° |
| O1 | C45 | C46 | H462 | 62.5° | 62.4° |
| C45 | O1 | C43 | H431 | 177.8° | 179.0° |
| C45 | O1 | C43 | H432 | 62.3° | 58.8° |
| O1 | C45 | H451 | H452 | 120.0° | 120.0° |
| C45 | C46 | C39 | H39 | 63.5° | 63.0° |
| C45 | C46 | H461 | H462 | 119.6° | 120.1° |
| C46 | C45 | H451 | H452 | 120.1° | 120.0° |
| C7 | C57 | N1 | H57 | 180.0° | 180.0° |
| C7 | C57 | N1 | C68 | 179.8° | 178.8° |
| C57 | C7 | C20 | C61 | 177.0° | 130.3° |
| C57 | C7 | C20 | H201 | 63.0° | 10.5° |
| C57 | C7 | C20 | H202 | 62.1° | 109.8° |
| C20 | C7 | C57 | N1 | 179.8° | 172.2° |
| C7 | C20 | C61 | S60 | 38.6° | 78.1° |
| C7 | C20 | C61 | H201 | 120.0° | 119.8° |
| C7 | C20 | C61 | H202 | 114.9° | 119.9° |
| C20 | C7 | C57 | H57 | 0.2° | 7.7° |
| C7 | C20 | H201 | H202 | 115.7° | 120.3° |
| C7 | C20 | C61 | H611 | 81.4° | 161.3° |
| C7 | C20 | C61 | H612 | 155.8° | 42.4° |
| C57 | N1 | C68 | C69 | 100.2° | 95.0° |
| C57 | N1 | C68 | H681 | 139.7° | 25.0° |
| C57 | N1 | C68 | H682 | 17.6° | 145.0° |
| N1 | C68 | C69 | H681 | 120.0° | 120.0° |
| N1 | C68 | C69 | H682 | 117.8° | 120.0° |
| C68 | N1 | C57 | H57 | 0.1° | 1.2° |
| N1 | C68 | H681 | H682 | 118.0° | 120.0° |
| N1 | C68 | C69 | H691 | 29.7° | 60.0° |
| N1 | C68 | C69 | H692 | 90.3° | 60.0° |
| N1 | C68 | C69 | H693 | 149.7° | 180.0° |
| N59 | S60 | C61 | O79 | 116.4° | 113.0° |
| N59 | S60 | C61 | O80 | 114.9° | 113.1° |
| N59 | S60 | O79 | O80 | 121.0° | 114.3° |
| N59 | S60 | C61 | C20 | 76.9° | 32.7° |
| S60 | N59 | C2 | H21C | 164.0° | 90.0° |
| S60 | N59 | C2 | H22C | 76.0° | 29.9° |
| S60 | N59 | C2 | H23C | 44.1° | 149.9° |
| N59 | S60 | C61 | H611 | 43.2° | 153.3° |
| N59 | S60 | C61 | H612 | 165.9° | 87.8° |
| C2 | N59 | S60 | C61 | 100.0° | 124.7° |
| C2 | N59 | S60 | O79 | 142.7° | 118.2° |
| C2 | N59 | S60 | O80 | 15.4° | 7.6° |
| N59 | C2 | H21C | H22C | 120.0° | 120.0° |
| N59 | C2 | H21C | H23C | 120.0° | 120.1° |
| N59 | C2 | H22C | H23C | 120.0° | 120.1° |
| C61 | S60 | O79 | O80 | 123.2° | 128.4° |
| S60 | C61 | C20 | H611 | 120.0° | 120.5° |
| S60 | C61 | C20 | H612 | 117.2° | 120.6° |
| S60 | C61 | C20 | H201 | 81.4° | 162.1° |
| S60 | C61 | C20 | H202 | 153.5° | 41.7° |
| S60 | C61 | H611 | H612 | 117.4° | 118.9° |
| O79 | S60 | C61 | C20 | 39.5° | 145.8° |
| O79 | S60 | C61 | H611 | 159.6° | 93.7° |
| O79 | S60 | C61 | H612 | 77.6° | 25.2° |
| O80 | S60 | C61 | C20 | 168.3° | 80.3° |
| O80 | S60 | C61 | H611 | 71.7° | 40.2° |
| O80 | S60 | C61 | H612 | 51.1° | 159.1° |
| C61 | C20 | H201 | H202 | 115.7° | 120.3° |
| C20 | C61 | H611 | H612 | 117.4° | 119.0° |
| C69 | C68 | H681 | H682 | 118.0° | 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 | 170.0° | 145.0° |
| H3 | C3 | C5 | H51C | 169.7° | 175.0° |
| H3 | C3 | C5 | H52C | 48.3° | 65.0° |
| H61C | C6 | N20 | H20 | 176.7° | 176.1° |
| H62C | C6 | N20 | H20 | 60.4° | 63.9° |
| H20 | N20 | C39 | H39 | 60.9° | 158.7° |
| H15 | C15 | C16 | H16 | 0.1° | 0.0° |
| H19 | C19 | C18 | H18 | 0.0° | 0.1° |
| H16 | C16 | C17 | H17 | 0.1° | 0.1° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| H39 | C39 | C42 | H421 | 174.8° | 177.1° |
| H39 | C39 | C42 | H422 | 53.8° | 56.9° |
| H39 | C39 | C46 | H461 | 56.5° | 57.0° |
| H39 | C39 | C46 | H462 | 176.9° | 177.2° |
| H421 | C42 | C43 | H431 | 54.4° | 57.6° |
| H421 | C42 | C43 | H432 | 174.4° | 177.7° |
| H422 | C42 | C43 | H431 | 66.6° | 62.5° |
| H422 | C42 | C43 | H432 | 53.4° | 57.6° |
| H461 | C46 | C45 | H451 | 63.0° | 62.4° |
| H461 | C46 | C45 | H452 | 57.0° | 57.6° |
| H462 | C46 | C45 | H451 | 57.4° | 57.7° |
| H462 | C46 | C45 | H452 | 177.4° | 177.7° |
| H201 | C20 | C61 | H611 | 158.5° | 41.6° |
| H201 | C20 | C61 | H612 | 35.8° | 77.3° |
| H202 | C20 | C61 | H611 | 33.5° | 78.8° |
| H202 | C20 | C61 | H612 | 89.3° | 162.3° |
| H681 | C68 | C69 | H691 | 149.7° | 180.0° |
| H681 | C68 | C69 | H692 | 29.7° | 60.0° |
| H681 | C68 | C69 | H693 | 90.3° | 60.0° |
| H682 | C68 | C69 | H691 | 88.1° | 60.0° |
| H682 | C68 | C69 | H692 | 151.9° | 180.0° |
| H682 | C68 | C69 | H693 | 31.9° | 59.9° |
| H21C | C2 | H22C | H23C | 120.0° | 120.0° |
| H691 | C69 | H692 | H693 | 120.0° | 120.0° |
