ZNJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N17 | sing | 1.47Å | 1.49Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| N17 | C16 | sing | 1.47Å | 1.49Å | |
| C19 | C14 | sing | 1.53Å | 1.49Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C14 | N13 | sing | 1.47Å | 1.46Å | |
| N13 | C12 | sing | 1.35Å | 1.46Å | |
| F10 | C09 | sing | 1.35Å | 1.36Å | |
| C12 | O20 | doub | 1.22Å | 1.19Å | |
| C12 | C11 | sing | 1.47Å | 1.54Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C09 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| O35 | S30 | doub | 1.42Å | 1.46Å | |
| C11 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | C31 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | S30 | sing | 1.81Å | 1.81Å | |
| C31 | C34 | sing | 1.53Å | 1.52Å | |
| S30 | O36 | doub | 1.42Å | 1.46Å | |
| S30 | N29 | sing | 1.66Å | 1.70Å | |
| C21 | C22 | doub | 1.37Å | 1.39Å | Aromatic |
| C07 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | N06 | sing | 1.39Å | 1.45Å | |
| N29 | C28 | sing | 1.40Å | 1.45Å | |
| N06 | C05 | sing | 1.39Å | 1.44Å | |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C37 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | N04 | doub | 1.32Å | 1.31Å | Aromatic |
| C05 | N23 | sing | 1.32Å | 1.31Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| N04 | C03 | sing | 1.33Å | 1.32Å | Aromatic |
| N23 | C24 | doub | 1.33Å | 1.32Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| O45 | C44 | doub | 1.21Å | 1.26Å | |
| C24 | C02 | sing | 1.40Å | 1.38Å | Aromatic |
| C24 | N25 | sing | 1.39Å | 1.44Å | |
| C26 | N25 | sing | 1.40Å | 1.45Å | |
| C26 | C51 | doub | 1.39Å | 1.37Å | Aromatic |
| C38 | C51 | sing | 1.39Å | 1.37Å | Aromatic |
| C38 | C39 | sing | 1.48Å | 1.51Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C44 | O46 | sing | 1.34Å | 1.26Å | |
| C44 | C43 | sing | 1.51Å | 1.53Å | |
| N40 | C39 | sing | 1.35Å | 1.44Å | |
| N40 | C41 | sing | 1.47Å | 1.45Å | |
| C39 | O50 | doub | 1.22Å | 1.19Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | C47 | sing | 1.51Å | 1.53Å | |
| O48 | C47 | doub | 1.21Å | 1.26Å | |
| C47 | O49 | sing | 1.34Å | 1.26Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C41 | H28 | sing | 1.09Å | 1.10Å | |
| C42 | H29 | sing | 1.09Å | 1.10Å | |
| C42 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| C51 | H33 | sing | 1.08Å | 1.08Å | |
| N06 | H34 | sing | 0.97Å | 1.00Å | |
| N13 | H35 | sing | 0.97Å | 1.00Å | |
| N17 | H36 | sing | 1.01Å | 1.00Å | |
| N25 | H38 | sing | 0.97Å | 1.00Å | |
| N29 | H39 | sing | 0.97Å | 1.00Å | |
| N40 | H40 | sing | 0.97Å | 1.00Å | |
| O46 | H41 | sing | 0.97Å | 0.95Å | |
| O49 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N17 | C18 | C19 | 112.0° | 109.5° |
| C18 | N17 | C16 | 112.5° | 111.2° |
| N17 | C18 | H11 | 108.8° | 109.5° |
| N17 | C18 | H12 | 108.8° | 109.4° |
| C18 | N17 | H36 | 108.7° | 111.0° |
| C18 | C19 | C14 | 111.8° | 109.3° |
| C19 | C18 | H11 | 108.8° | 109.4° |
| C19 | C18 | H12 | 108.8° | 109.5° |
| C18 | C19 | H13 | 108.9° | 109.5° |
| C18 | C19 | H14 | 108.9° | 109.5° |
| N17 | C16 | C15 | 112.1° | 109.5° |
| N17 | C16 | H9 | 108.8° | 109.5° |
| N17 | C16 | H10 | 108.8° | 109.5° |
| C16 | N17 | H36 | 108.7° | 111.0° |
| C19 | C14 | C15 | 112.0° | 109.1° |
| C19 | C14 | N13 | 108.5° | 109.5° |
| C19 | C14 | H5 | 108.9° | 109.6° |
| C14 | C19 | H13 | 108.9° | 109.5° |
| C14 | C19 | H14 | 108.9° | 109.5° |
| C16 | C15 | C14 | 111.9° | 109.3° |
| C16 | C15 | H7 | 108.9° | 109.5° |
| C16 | C15 | H8 | 108.9° | 109.5° |
| C15 | C16 | H9 | 108.8° | 109.4° |
| C15 | C16 | H10 | 108.8° | 109.4° |
| C15 | C14 | N13 | 109.2° | 109.5° |
| C15 | C14 | H5 | 108.8° | 109.5° |
| C14 | C15 | H7 | 108.8° | 109.5° |
| C14 | C15 | H8 | 108.8° | 109.5° |
| C14 | N13 | C12 | 119.9° | 120.0° |
| N13 | C14 | H5 | 109.4° | 109.5° |
| C14 | N13 | H35 | 120.0° | 120.0° |
| N13 | C12 | O20 | 120.1° | 120.0° |
| N13 | C12 | C11 | 120.2° | 120.0° |
| C12 | N13 | H35 | 120.0° | 120.0° |
| F10 | C09 | C11 | 121.0° | 120.1° |
| F10 | C09 | C08 | 119.5° | 120.1° |
| O20 | C12 | C11 | 119.6° | 120.0° |
| C12 | C11 | C09 | 120.2° | 120.1° |
| C12 | C11 | C21 | 119.8° | 120.1° |
| C32 | C31 | C33 | 109.0° | 109.5° |
| C32 | C31 | S30 | 108.1° | 109.5° |
| C32 | C31 | C34 | 110.3° | 109.4° |
| C31 | C32 | H18 | 109.5° | 109.5° |
| C31 | C32 | H19 | 109.5° | 109.5° |
| C31 | C32 | H20 | 109.5° | 109.4° |
| C11 | C09 | C08 | 119.5° | 119.7° |
| C09 | C11 | C21 | 120.0° | 119.8° |
| C09 | C08 | C07 | 120.7° | 119.9° |
| C09 | C08 | H6 | 119.7° | 120.0° |
| O35 | S30 | C31 | 109.0° | 110.5° |
| O35 | S30 | O36 | 109.6° | 121.1° |
| O35 | S30 | N29 | 109.0° | 104.3° |
| C11 | C21 | C22 | 120.5° | 120.1° |
| C11 | C21 | H15 | 119.7° | 120.0° |
| C33 | C31 | S30 | 109.4° | 109.5° |
| C33 | C31 | C34 | 110.7° | 109.4° |
| C31 | C33 | H21 | 109.5° | 109.4° |
| C31 | C33 | H22 | 109.5° | 109.5° |
| C31 | C33 | H23 | 109.5° | 109.5° |
| C08 | C07 | C22 | 120.1° | 120.2° |
| C08 | C07 | N06 | 115.5° | 119.9° |
| C07 | C08 | H6 | 119.6° | 120.1° |
| S30 | C31 | C34 | 109.2° | 109.5° |
| C31 | S30 | O36 | 107.7° | 110.5° |
| C31 | S30 | N29 | 108.4° | 104.4° |
| C31 | C34 | H24 | 109.5° | 109.5° |
| C31 | C34 | H25 | 109.5° | 109.5° |
| C31 | C34 | H26 | 109.5° | 109.5° |
| O36 | S30 | N29 | 113.0° | 104.3° |
| S30 | N29 | C28 | 126.6° | 120.0° |
| S30 | N29 | H39 | 105.0° | 120.0° |
| C21 | C22 | C07 | 119.2° | 120.3° |
| C22 | C21 | H15 | 119.7° | 120.0° |
| C21 | C22 | H16 | 120.4° | 119.9° |
| C22 | C07 | N06 | 124.4° | 119.9° |
| C07 | C22 | H16 | 120.4° | 119.9° |
| C07 | N06 | C05 | 127.2° | 120.0° |
| C07 | N06 | H34 | 116.4° | 120.1° |
| N29 | C28 | C27 | 124.5° | 120.0° |
| N29 | C28 | C37 | 115.8° | 120.0° |
| C28 | N29 | H39 | 105.0° | 120.0° |
| N06 | C05 | N04 | 114.6° | 119.2° |
| N06 | C05 | N23 | 121.8° | 119.2° |
| C05 | N06 | H34 | 116.4° | 120.0° |
| C27 | C28 | C37 | 119.7° | 120.0° |
| C28 | C27 | C26 | 119.3° | 120.2° |
| C28 | C27 | H17 | 120.4° | 119.9° |
| C28 | C37 | C38 | 119.5° | 119.9° |
| C28 | C37 | H27 | 120.3° | 120.0° |
| N04 | C05 | N23 | 123.5° | 121.7° |
| C05 | N04 | C03 | 120.2° | 120.9° |
| C05 | N23 | C24 | 119.0° | 120.6° |
| C27 | C26 | N25 | 123.8° | 120.0° |
| C27 | C26 | C51 | 121.0° | 120.0° |
| C26 | C27 | H17 | 120.3° | 119.9° |
| N04 | C03 | C02 | 119.1° | 119.3° |
| N04 | C03 | H4 | 120.5° | 120.4° |
| N23 | C24 | C02 | 120.0° | 119.1° |
| N23 | C24 | N25 | 122.4° | 120.5° |
| C37 | C38 | C51 | 121.5° | 119.9° |
| C37 | C38 | C39 | 121.5° | 120.1° |
| C38 | C37 | H27 | 120.2° | 120.0° |
| C03 | C02 | C24 | 118.1° | 118.5° |
| C03 | C02 | C01 | 121.1° | 120.7° |
| C02 | C03 | H4 | 120.5° | 120.4° |
| O45 | C44 | O46 | 120.0° | 120.0° |
| O45 | C44 | C43 | 120.0° | 120.0° |
| C02 | C24 | N25 | 117.6° | 120.4° |
| C24 | C02 | C01 | 120.8° | 120.8° |
| C24 | N25 | C26 | 122.7° | 119.9° |
| C24 | N25 | H38 | 118.6° | 120.0° |
| N25 | C26 | C51 | 115.2° | 119.9° |
| C26 | N25 | H38 | 118.7° | 120.0° |
| C26 | C51 | C38 | 119.1° | 119.9° |
| C26 | C51 | H33 | 120.5° | 120.0° |
| C51 | C38 | C39 | 117.0° | 120.0° |
| C38 | C51 | H33 | 120.5° | 120.1° |
| C38 | C39 | N40 | 116.9° | 120.0° |
| C38 | C39 | O50 | 120.6° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| O46 | C44 | C43 | 119.9° | 120.0° |
| C44 | O46 | H41 | 109.5° | 117.0° |
| C44 | C43 | C42 | 113.9° | 109.5° |
| C44 | C43 | H31 | 108.4° | 109.5° |
| C44 | C43 | H32 | 108.4° | 109.4° |
| C39 | N40 | C41 | 120.6° | 120.0° |
| N40 | C39 | O50 | 122.5° | 120.0° |
| C39 | N40 | H40 | 119.7° | 120.0° |
| N40 | C41 | C42 | 110.3° | 109.5° |
| N40 | C41 | C47 | 110.7° | 109.5° |
| N40 | C41 | H28 | 108.8° | 109.5° |
| C41 | N40 | H40 | 119.7° | 120.0° |
| C43 | C42 | C41 | 113.4° | 109.5° |
| C43 | C42 | H29 | 108.5° | 109.5° |
| C43 | C42 | H30 | 108.5° | 109.5° |
| C42 | C43 | H31 | 108.4° | 109.5° |
| C42 | C43 | H32 | 108.3° | 109.5° |
| C42 | C41 | C47 | 111.1° | 109.5° |
| C42 | C41 | H28 | 107.9° | 109.5° |
| C41 | C42 | H29 | 108.5° | 109.5° |
| C41 | C42 | H30 | 108.5° | 109.4° |
| C41 | C47 | O48 | 119.5° | 120.0° |
| C41 | C47 | O49 | 120.1° | 120.0° |
| C47 | C41 | H28 | 107.9° | 109.5° |
| O48 | C47 | O49 | 120.3° | 120.0° |
| C47 | O49 | H42 | 109.5° | 117.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H18 | C32 | H19 | 109.5° | 109.5° |
| H18 | C32 | H20 | 109.5° | 109.5° |
| H19 | C32 | H20 | 109.5° | 109.5° |
| H21 | C33 | H22 | 109.4° | 109.5° |
| H21 | C33 | H23 | 109.4° | 109.5° |
| H22 | C33 | H23 | 109.5° | 109.5° |
| H24 | C34 | H25 | 109.5° | 109.4° |
| H24 | C34 | H26 | 109.4° | 109.4° |
| H25 | C34 | H26 | 109.5° | 109.4° |
| H29 | C42 | H30 | 109.4° | 109.5° |
| H31 | C43 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | C18 | C19 | H11 | 120.4° | 120.0° |
| N17 | C18 | C19 | H12 | 120.4° | 120.0° |
| C18 | N17 | C16 | H36 | 120.4° | 124.1° |
| N17 | C18 | C19 | C14 | 53.2° | 59.2° |
| C18 | N17 | C16 | C15 | 52.3° | 61.7° |
| C18 | N17 | C16 | H9 | 172.7° | 178.3° |
| C18 | N17 | C16 | H10 | 68.1° | 58.2° |
| N17 | C18 | H11 | H12 | 118.8° | 119.9° |
| N17 | C18 | C19 | H13 | 173.6° | 179.1° |
| N17 | C18 | C19 | H14 | 67.1° | 60.8° |
| C19 | C18 | N17 | C16 | 52.5° | 61.7° |
| C18 | C19 | C14 | H13 | 120.3° | 119.9° |
| C18 | C19 | C14 | H14 | 120.3° | 119.9° |
| C18 | C19 | C14 | C15 | 53.8° | 57.7° |
| C18 | C19 | C14 | N13 | 66.8° | 177.6° |
| C18 | C19 | C14 | H5 | 174.2° | 62.3° |
| C19 | C18 | H11 | H12 | 118.8° | 120.0° |
| C18 | C19 | H13 | H14 | 118.9° | 120.1° |
| C19 | C18 | N17 | H36 | 67.9° | 174.2° |
| N17 | C16 | C15 | H9 | 120.4° | 120.0° |
| N17 | C16 | C15 | H10 | 120.4° | 120.0° |
| N17 | C16 | C15 | C14 | 52.7° | 59.2° |
| N17 | C16 | C15 | H7 | 67.7° | 60.8° |
| N17 | C16 | C15 | H8 | 173.0° | 179.1° |
| N17 | C16 | H9 | H10 | 118.8° | 120.0° |
| C16 | N17 | C18 | H11 | 67.8° | 58.3° |
| C16 | N17 | C18 | H12 | 172.9° | 178.2° |
| C19 | C14 | C15 | C16 | 53.6° | 57.7° |
| C19 | C14 | C15 | N13 | 120.2° | 119.9° |
| C19 | C14 | C15 | H5 | 120.4° | 120.0° |
| C19 | C14 | N13 | H5 | 118.7° | 120.2° |
| C19 | C14 | N13 | C12 | 142.8° | 85.4° |
| C19 | C14 | C15 | H7 | 66.8° | 62.3° |
| C19 | C14 | C15 | H8 | 174.0° | 177.7° |
| C14 | C19 | C18 | H11 | 67.2° | 60.8° |
| C14 | C19 | C18 | H12 | 173.6° | 179.2° |
| C14 | C19 | H13 | H14 | 118.9° | 120.1° |
| C19 | C14 | N13 | H35 | 37.2° | 94.7° |
| C16 | C15 | C14 | H7 | 120.4° | 120.0° |
| C16 | C15 | C14 | H8 | 120.4° | 120.0° |
| C16 | C15 | C14 | N13 | 66.6° | 177.6° |
| C16 | C15 | C14 | H5 | 174.0° | 62.3° |
| C16 | C15 | H7 | H8 | 118.9° | 120.1° |
| C15 | C16 | H9 | H10 | 118.8° | 119.9° |
| C15 | C16 | N17 | H36 | 68.1° | 174.2° |
| C15 | C14 | N13 | H5 | 119.0° | 120.1° |
| C15 | C14 | N13 | C12 | 94.9° | 155.0° |
| C14 | C15 | H7 | H8 | 118.8° | 120.1° |
| C14 | C15 | C16 | H9 | 173.0° | 179.2° |
| C14 | C15 | C16 | H10 | 67.7° | 60.8° |
| C15 | C14 | C19 | H13 | 174.1° | 177.6° |
| C15 | C14 | C19 | H14 | 66.6° | 62.3° |
| C15 | C14 | N13 | H35 | 85.1° | 24.9° |
| C14 | N13 | C12 | H35 | 180.0° | 179.9° |
| C14 | N13 | C12 | O20 | 0.9° | 0.1° |
| C14 | N13 | C12 | C11 | 180.0° | 180.0° |
| N13 | C14 | C15 | H7 | 173.0° | 57.6° |
| N13 | C14 | C15 | H8 | 53.8° | 62.5° |
| N13 | C14 | C19 | H13 | 53.5° | 62.5° |
| N13 | C14 | C19 | H14 | 172.8° | 57.6° |
| N13 | C12 | O20 | C11 | 179.2° | 179.9° |
| N13 | C12 | C11 | C09 | 3.9° | 180.0° |
| N13 | C12 | C11 | C21 | 176.3° | 0.3° |
| C12 | N13 | C14 | H5 | 24.1° | 34.9° |
| F10 | C09 | C11 | C12 | 0.0° | 0.3° |
| F10 | C09 | C11 | C08 | 179.9° | 179.7° |
| F10 | C09 | C11 | C21 | 179.9° | 180.0° |
| F10 | C09 | C08 | C07 | 180.0° | 179.8° |
| F10 | C09 | C08 | H6 | 0.0° | 0.3° |
| O20 | C12 | C11 | C09 | 175.3° | 0.1° |
| O20 | C12 | C11 | C21 | 4.6° | 179.8° |
| O20 | C12 | N13 | H35 | 179.1° | 180.0° |
| C12 | C11 | C09 | C21 | 179.9° | 179.7° |
| C12 | C11 | C09 | C08 | 179.9° | 180.0° |
| C12 | C11 | C21 | C22 | 179.8° | 179.8° |
| C12 | C11 | C21 | H15 | 0.2° | 0.2° |
| C11 | C12 | N13 | H35 | 0.0° | 0.1° |
| C32 | C31 | S30 | O35 | 65.6° | 57.9° |
| C32 | C31 | C33 | S30 | 118.0° | 120.1° |
| C32 | C31 | C33 | C34 | 121.6° | 119.9° |
| C32 | C31 | S30 | C34 | 120.1° | 120.0° |
| C32 | C31 | S30 | O36 | 53.3° | 165.3° |
| C32 | C31 | S30 | N29 | 175.9° | 53.7° |
| C31 | C32 | H18 | H19 | 120.0° | 120.0° |
| C31 | C32 | H18 | H20 | 120.0° | 120.0° |
| C31 | C32 | H19 | H20 | 120.0° | 119.9° |
| C32 | C31 | C33 | H21 | 180.0° | 60.1° |
| C32 | C31 | C33 | H22 | 60.0° | 59.9° |
| C32 | C31 | C33 | H23 | 60.0° | 180.0° |
| C32 | C31 | C34 | H24 | 180.0° | 180.0° |
| C32 | C31 | C34 | H25 | 60.0° | 60.0° |
| C32 | C31 | C34 | H26 | 60.0° | 60.0° |
| C11 | C09 | C08 | C07 | 0.1° | 0.1° |
| C09 | C11 | C21 | C22 | 0.1° | 0.5° |
| C11 | C09 | C08 | H6 | 179.9° | 180.0° |
| C09 | C11 | C21 | H15 | 179.9° | 180.0° |
| C08 | C09 | C11 | C21 | 0.0° | 0.3° |
| C09 | C08 | C07 | H6 | 180.0° | 179.9° |
| C09 | C08 | C07 | C22 | 0.4° | 0.1° |
| C09 | C08 | C07 | N06 | 179.5° | 179.7° |
| O35 | S30 | C31 | C33 | 53.0° | 62.1° |
| O35 | S30 | C31 | O36 | 118.9° | 136.8° |
| O35 | S30 | C31 | N29 | 118.6° | 111.6° |
| O35 | S30 | C31 | C34 | 174.4° | 177.9° |
| O35 | S30 | O36 | N29 | 121.9° | 116.8° |
| O35 | S30 | N29 | C28 | 154.7° | 172.4° |
| O35 | S30 | N29 | H39 | 83.0° | 7.7° |
| C11 | C21 | C22 | H15 | 180.0° | 179.5° |
| C11 | C21 | C22 | C07 | 0.3° | 0.5° |
| C11 | C21 | C22 | H16 | 179.7° | 179.5° |
| C33 | C31 | S30 | C34 | 121.3° | 120.0° |
| C33 | C31 | S30 | O36 | 171.9° | 74.6° |
| C33 | C31 | S30 | N29 | 65.5° | 173.7° |
| C33 | C31 | C32 | H18 | 180.0° | 175.2° |
| C33 | C31 | C32 | H19 | 60.0° | 55.1° |
| C33 | C31 | C32 | H20 | 60.0° | 64.8° |
| C31 | C33 | H21 | H22 | 120.0° | 120.0° |
| C31 | C33 | H21 | H23 | 120.0° | 119.9° |
| C31 | C33 | H22 | H23 | 120.0° | 120.0° |
| C33 | C31 | C34 | H24 | 59.2° | 60.0° |
| C33 | C31 | C34 | H25 | 179.2° | 60.0° |
| C33 | C31 | C34 | H26 | 60.8° | 180.0° |
| C08 | C07 | C22 | C21 | 0.5° | 0.3° |
| C08 | C07 | C22 | N06 | 179.0° | 179.7° |
| C08 | C07 | N06 | C05 | 159.9° | 30.0° |
| C08 | C07 | C22 | H16 | 179.5° | 179.7° |
| C08 | C07 | N06 | H34 | 20.1° | 150.0° |
| C31 | S30 | O36 | N29 | 119.7° | 111.7° |
| C31 | S30 | N29 | C28 | 86.8° | 56.4° |
| S30 | C31 | C32 | H18 | 61.2° | 64.8° |
| S30 | C31 | C32 | H19 | 58.8° | 175.2° |
| S30 | C31 | C32 | H20 | 178.8° | 55.2° |
| S30 | C31 | C33 | H21 | 62.0° | 60.0° |
| S30 | C31 | C33 | H22 | 178.0° | 180.0° |
| S30 | C31 | C33 | H23 | 58.0° | 59.9° |
| S30 | C31 | C34 | H24 | 61.4° | 60.0° |
| S30 | C31 | C34 | H25 | 58.6° | 180.0° |
| S30 | C31 | C34 | H26 | 178.6° | 60.0° |
| C31 | S30 | N29 | H39 | 35.5° | 123.7° |
| C34 | C31 | S30 | O36 | 66.8° | 45.3° |
| C34 | C31 | S30 | N29 | 55.8° | 66.3° |
| C34 | C31 | C32 | H18 | 58.2° | 55.2° |
| C34 | C31 | C32 | H19 | 178.2° | 64.8° |
| C34 | C31 | C32 | H20 | 61.9° | 175.2° |
| C34 | C31 | C33 | H21 | 58.4° | 180.0° |
| C34 | C31 | C33 | H22 | 61.6° | 60.0° |
| C34 | C31 | C33 | H23 | 178.4° | 60.1° |
| C31 | C34 | H24 | H25 | 120.0° | 120.1° |
| C31 | C34 | H24 | H26 | 120.0° | 120.0° |
| C31 | C34 | H25 | H26 | 120.0° | 120.0° |
| O36 | S30 | N29 | C28 | 32.5° | 59.7° |
| O36 | S30 | N29 | H39 | 154.8° | 120.2° |
| S30 | N29 | C28 | H39 | 122.3° | 179.9° |
| S30 | N29 | C28 | C27 | 20.7° | 104.3° |
| S30 | N29 | C28 | C37 | 160.1° | 75.6° |
| C21 | C22 | C07 | H16 | 180.0° | 179.9° |
| C21 | C22 | C07 | N06 | 179.5° | 179.9° |
| C22 | C07 | N06 | C05 | 21.0° | 150.4° |
| C22 | C07 | C08 | H6 | 179.6° | 179.9° |
| C07 | C22 | C21 | H15 | 179.7° | 180.0° |
| C22 | C07 | N06 | H34 | 159.0° | 29.6° |
| C07 | N06 | C05 | H34 | 180.0° | 180.0° |
| C07 | N06 | C05 | N04 | 169.8° | 3.9° |
| C07 | N06 | C05 | N23 | 11.5° | 176.4° |
| N06 | C07 | C08 | H6 | 0.5° | 0.4° |
| N06 | C07 | C22 | H16 | 0.5° | 0.0° |
| N29 | C28 | C27 | C37 | 179.2° | 180.0° |
| N29 | C28 | C27 | C26 | 178.6° | 180.0° |
| N29 | C28 | C37 | C38 | 179.7° | 180.0° |
| N29 | C28 | C27 | H17 | 1.4° | 0.1° |
| N29 | C28 | C37 | H27 | 0.4° | 0.0° |
| N06 | C05 | N04 | N23 | 178.7° | 179.7° |
| N06 | C05 | N04 | C03 | 179.7° | 180.0° |
| N06 | C05 | N23 | C24 | 179.5° | 180.0° |
| C28 | C27 | C26 | H17 | 180.0° | 179.9° |
| C27 | C28 | C37 | C38 | 0.4° | 0.0° |
| C28 | C27 | C26 | N25 | 178.7° | 180.0° |
| C28 | C27 | C26 | C51 | 1.2° | 0.3° |
| C27 | C28 | C37 | H27 | 179.7° | 180.0° |
| C27 | C28 | N29 | H39 | 142.9° | 75.8° |
| C37 | C28 | C27 | C26 | 0.6° | 0.1° |
| C28 | C37 | C38 | H27 | 180.0° | 180.0° |
| C28 | C37 | C38 | C51 | 0.9° | 0.3° |
| C28 | C37 | C38 | C39 | 179.2° | 180.0° |
| C37 | C28 | C27 | H17 | 179.4° | 180.0° |
| C37 | C28 | N29 | H39 | 37.8° | 104.3° |
| N04 | C05 | N23 | C24 | 1.9° | 0.3° |
| C05 | N04 | C03 | C02 | 0.0° | 0.1° |
| C05 | N04 | C03 | H4 | 180.0° | 180.0° |
| N04 | C05 | N06 | H34 | 10.2° | 176.1° |
| N23 | C05 | N04 | C03 | 1.0° | 0.3° |
| C05 | N23 | C24 | C02 | 1.8° | 0.0° |
| C05 | N23 | C24 | N25 | 179.4° | 180.0° |
| N23 | C05 | N06 | H34 | 168.6° | 3.6° |
| C27 | C26 | N25 | C24 | 34.8° | 34.4° |
| C27 | C26 | N25 | C51 | 177.7° | 179.7° |
| C27 | C26 | C51 | C38 | 0.7° | 0.5° |
| C27 | C26 | C51 | H33 | 179.3° | 179.7° |
| C27 | C26 | N25 | H38 | 145.2° | 145.6° |
| N04 | C03 | C02 | H4 | 180.0° | 180.0° |
| N04 | C03 | C02 | C24 | 0.0° | 0.2° |
| N04 | C03 | C02 | C01 | 179.3° | 180.0° |
| N23 | C24 | C02 | C03 | 0.9° | 0.2° |
| N23 | C24 | C02 | N25 | 178.8° | 179.9° |
| N23 | C24 | N25 | C26 | 8.8° | 6.9° |
| N23 | C24 | C02 | C01 | 179.8° | 180.0° |
| N23 | C24 | N25 | H38 | 171.2° | 173.1° |
| C37 | C38 | C51 | C26 | 0.3° | 0.5° |
| C37 | C38 | C51 | C39 | 178.4° | 179.7° |
| C37 | C38 | C39 | N40 | 7.0° | 174.5° |
| C37 | C38 | C39 | O50 | 175.0° | 5.5° |
| C37 | C38 | C51 | H33 | 179.6° | 179.7° |
| C03 | C02 | C24 | C01 | 179.3° | 179.8° |
| C03 | C02 | C24 | N25 | 179.7° | 179.7° |
| C03 | C02 | C01 | H1 | 89.7° | 90.0° |
| C03 | C02 | C01 | H2 | 150.3° | 150.0° |
| C03 | C02 | C01 | H3 | 30.3° | 30.0° |
| O45 | C44 | O46 | C43 | 179.9° | 180.0° |
| O45 | C44 | C43 | C42 | 171.9° | 0.0° |
| O45 | C44 | C43 | H31 | 67.4° | 120.0° |
| O45 | C44 | C43 | H32 | 51.3° | 120.0° |
| O45 | C44 | O46 | H41 | 0.0° | 0.0° |
| C02 | C24 | N25 | C26 | 172.4° | 173.0° |
| C24 | C02 | C01 | H1 | 89.7° | 90.2° |
| C24 | C02 | C01 | H2 | 30.4° | 29.8° |
| C24 | C02 | C01 | H3 | 150.4° | 149.8° |
| C24 | C02 | C03 | H4 | 180.0° | 179.8° |
| C02 | C24 | N25 | H38 | 7.6° | 7.0° |
| C24 | N25 | C26 | H38 | 180.0° | 180.0° |
| C24 | N25 | C26 | C51 | 147.5° | 145.9° |
| N25 | C24 | C02 | C01 | 1.0° | 0.1° |
| N25 | C26 | C51 | C38 | 178.4° | 179.8° |
| N25 | C26 | C27 | H17 | 1.3° | 0.1° |
| N25 | C26 | C51 | H33 | 1.6° | 0.0° |
| C26 | C51 | C38 | H33 | 180.0° | 179.8° |
| C26 | C51 | C38 | C39 | 178.7° | 179.8° |
| C51 | C26 | C27 | H17 | 178.8° | 179.8° |
| C51 | C26 | N25 | H38 | 32.5° | 34.1° |
| C51 | C38 | C39 | N40 | 171.4° | 5.8° |
| C51 | C38 | C39 | O50 | 6.6° | 174.3° |
| C51 | C38 | C37 | H27 | 179.2° | 179.8° |
| C38 | C39 | N40 | O50 | 178.0° | 179.9° |
| C38 | C39 | N40 | C41 | 178.7° | 174.9° |
| C39 | C38 | C37 | H27 | 0.8° | 0.1° |
| C39 | C38 | C51 | H33 | 1.3° | 0.0° |
| C38 | C39 | N40 | H40 | 1.2° | 5.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 0.7° | 0.0° |
| O46 | C44 | C43 | C42 | 8.2° | 180.0° |
| O46 | C44 | C43 | H31 | 112.5° | 60.0° |
| O46 | C44 | C43 | H32 | 128.8° | 60.0° |
| C44 | C43 | C42 | H31 | 120.7° | 120.0° |
| C44 | C43 | C42 | H32 | 120.6° | 120.0° |
| C44 | C43 | C42 | C41 | 73.9° | 180.0° |
| C44 | C43 | C42 | H29 | 46.7° | 60.0° |
| C44 | C43 | C42 | H30 | 165.5° | 60.0° |
| C44 | C43 | H31 | H32 | 118.0° | 120.0° |
| C43 | C44 | O46 | H41 | 179.9° | 180.0° |
| C39 | N40 | C41 | H40 | 180.0° | 180.0° |
| C39 | N40 | C41 | C42 | 73.4° | 156.9° |
| C39 | N40 | C41 | C47 | 50.1° | 83.1° |
| C39 | N40 | C41 | H28 | 168.5° | 36.9° |
| C41 | N40 | C39 | O50 | 0.7° | 5.1° |
| N40 | C41 | C42 | C43 | 41.8° | 66.4° |
| N40 | C41 | C42 | C47 | 123.2° | 120.0° |
| N40 | C41 | C42 | H28 | 118.8° | 120.0° |
| N40 | C41 | C47 | H28 | 119.0° | 120.0° |
| N40 | C41 | C47 | O48 | 42.5° | 0.0° |
| N40 | C41 | C47 | O49 | 137.5° | 180.0° |
| N40 | C41 | C42 | H29 | 162.4° | 53.6° |
| N40 | C41 | C42 | H30 | 78.8° | 173.6° |
| O50 | C39 | N40 | H40 | 179.2° | 174.9° |
| C43 | C42 | C41 | H29 | 120.6° | 120.0° |
| C43 | C42 | C41 | H30 | 120.6° | 120.0° |
| C43 | C42 | C41 | C47 | 165.0° | 173.6° |
| C43 | C42 | C41 | H28 | 77.0° | 53.5° |
| C43 | C42 | H29 | H30 | 118.2° | 120.0° |
| C42 | C43 | H31 | H32 | 118.0° | 120.0° |
| C42 | C41 | C47 | H28 | 118.1° | 120.0° |
| C42 | C41 | C47 | O48 | 165.5° | 120.0° |
| C42 | C41 | C47 | O49 | 14.5° | 60.0° |
| C41 | C42 | H29 | H30 | 118.2° | 120.0° |
| C41 | C42 | C43 | H31 | 165.4° | 60.0° |
| C41 | C42 | C43 | H32 | 46.7° | 60.0° |
| C42 | C41 | N40 | H40 | 106.6° | 23.1° |
| C41 | C47 | O48 | O49 | 180.0° | 180.0° |
| C47 | C41 | C42 | H29 | 74.4° | 66.4° |
| C47 | C41 | C42 | H30 | 44.4° | 53.6° |
| C47 | C41 | N40 | H40 | 130.0° | 96.9° |
| C41 | C47 | O49 | H42 | 180.0° | 180.0° |
| O48 | C47 | C41 | H28 | 76.5° | 120.0° |
| O48 | C47 | O49 | H42 | 0.0° | 0.0° |
| O49 | C47 | C41 | H28 | 103.5° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C14 | C15 | H7 | 53.6° | 177.7° |
| H5 | C14 | C15 | H8 | 65.6° | 57.7° |
| H5 | C14 | C19 | H13 | 65.5° | 57.7° |
| H5 | C14 | C19 | H14 | 53.9° | 177.8° |
| H5 | C14 | N13 | H35 | 155.9° | 145.1° |
| H7 | C15 | C16 | H9 | 52.7° | 59.3° |
| H7 | C15 | C16 | H10 | 171.9° | 179.2° |
| H8 | C15 | C16 | H9 | 66.6° | 60.8° |
| H8 | C15 | C16 | H10 | 52.6° | 59.2° |
| H9 | C16 | N17 | H36 | 52.3° | 54.2° |
| H10 | C16 | N17 | H36 | 171.5° | 65.9° |
| H11 | C18 | C19 | H13 | 53.2° | 59.1° |
| H11 | C18 | C19 | H14 | 172.5° | 179.2° |
| H11 | C18 | N17 | H36 | 171.7° | 65.8° |
| H12 | C18 | C19 | H13 | 66.0° | 60.9° |
| H12 | C18 | C19 | H14 | 53.3° | 59.2° |
| H12 | C18 | N17 | H36 | 52.5° | 54.1° |
| H15 | C21 | C22 | H16 | 0.4° | 0.1° |
| H18 | C32 | H19 | H20 | 120.0° | 120.0° |
| H21 | C33 | H22 | H23 | 120.0° | 120.0° |
| H24 | C34 | H25 | H26 | 120.0° | 119.9° |
| H28 | C41 | C42 | H29 | 43.6° | 173.5° |
| H28 | C41 | C42 | H30 | 162.4° | 66.4° |
| H28 | C41 | N40 | H40 | 11.6° | 143.0° |
| H29 | C42 | C43 | H31 | 74.0° | 180.0° |
| H29 | C42 | C43 | H32 | 167.3° | 60.0° |
| H30 | C42 | C43 | H31 | 44.8° | 60.0° |
| H30 | C42 | C43 | H32 | 73.9° | 180.0° |
