3EN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| N5 | C4 | doub | 1.29Å | 1.33Å | Aromatic |
| C1 | C2 | doub | 1.34Å | 1.33Å | Aromatic |
| C4 | S3 | sing | 1.71Å | 1.67Å | Aromatic |
| C2 | S3 | sing | 1.76Å | 1.58Å | Aromatic |
| C2 | C6 | sing | 1.51Å | 1.55Å | |
| C6 | O7 | sing | 1.45Å | 1.39Å | |
| O7 | C10 | sing | 1.35Å | 1.37Å | |
| C10 | O24 | doub | 1.21Å | 1.24Å | |
| C10 | N11 | sing | 1.35Å | 1.35Å | |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.49Å | |
| C34 | C35 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C26 | sing | 1.51Å | 1.41Å | |
| C12 | C26 | sing | 1.53Å | 1.57Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C52 | C51 | doub | 1.38Å | 1.38Å | Aromatic |
| C52 | C45 | sing | 1.38Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C51 | C50 | sing | 1.38Å | 1.41Å | Aromatic |
| O41 | C13 | sing | 1.43Å | 1.46Å | |
| C44 | C15 | sing | 1.53Å | 1.53Å | |
| C44 | C45 | sing | 1.51Å | 1.37Å | |
| C15 | N58 | sing | 1.47Å | 1.45Å | |
| C45 | C48 | doub | 1.38Å | 1.38Å | Aromatic |
| C50 | C49 | doub | 1.38Å | 1.38Å | Aromatic |
| O61 | C18 | doub | 1.21Å | 1.25Å | |
| C48 | C49 | sing | 1.38Å | 1.36Å | Aromatic |
| N58 | C18 | sing | 1.35Å | 1.36Å | |
| C18 | C19 | sing | 1.51Å | 1.57Å | |
| C68 | C62 | sing | 1.53Å | 1.55Å | |
| C19 | C62 | sing | 1.53Å | 1.57Å | |
| C19 | N20 | sing | 1.47Å | 1.50Å | |
| C62 | C64 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C52 | H11 | sing | 1.08Å | 1.08Å | |
| C51 | H12 | sing | 1.08Å | 1.08Å | |
| C50 | H13 | sing | 1.08Å | 1.08Å | |
| C49 | H14 | sing | 1.08Å | 1.08Å | |
| C48 | H15 | sing | 1.08Å | 1.08Å | |
| C44 | H16 | sing | 1.09Å | 1.10Å | |
| C44 | H17 | sing | 1.09Å | 1.10Å | |
| N58 | H18 | sing | 0.97Å | 1.00Å | |
| N20 | H19 | sing | 1.01Å | 1.00Å | |
| N20 | H20 | sing | 1.01Å | 1.00Å | |
| C62 | H22 | sing | 1.09Å | 1.10Å | |
| C68 | H23 | sing | 1.09Å | 1.10Å | |
| C68 | H24 | sing | 1.09Å | 1.10Å | |
| C68 | H25 | sing | 1.09Å | 1.10Å | |
| C64 | H26 | sing | 1.09Å | 1.10Å | |
| C64 | H27 | sing | 1.09Å | 1.10Å | |
| C64 | H28 | sing | 1.09Å | 1.10Å | |
| O41 | H29 | sing | 0.97Å | 0.95Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| C32 | H33 | sing | 1.08Å | 1.08Å | |
| C33 | H34 | sing | 1.08Å | 1.08Å | |
| C34 | H35 | sing | 1.08Å | 1.08Å | |
| C35 | H36 | sing | 1.08Å | 1.08Å | |
| N11 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N5 | C4 | 114.8° | 117.1° |
| N5 | C1 | C2 | 112.6° | 114.5° |
| N5 | C1 | H1 | 123.7° | 122.7° |
| N5 | C4 | S3 | 106.6° | 110.2° |
| N5 | C4 | H2 | 126.7° | 124.9° |
| C1 | C2 | S3 | 110.5° | 107.9° |
| C1 | C2 | C6 | 125.4° | 126.1° |
| C2 | C1 | H1 | 123.7° | 122.7° |
| C4 | S3 | C2 | 95.5° | 90.3° |
| S3 | C4 | H2 | 126.7° | 124.9° |
| S3 | C2 | C6 | 124.0° | 126.0° |
| C2 | C6 | O7 | 109.2° | 109.5° |
| C2 | C6 | H3 | 109.5° | 109.5° |
| C2 | C6 | H4 | 109.5° | 109.4° |
| C6 | O7 | C10 | 106.8° | 117.0° |
| O7 | C6 | H3 | 109.5° | 109.5° |
| O7 | C6 | H4 | 109.5° | 109.4° |
| O7 | C10 | O24 | 120.3° | 120.0° |
| O7 | C10 | N11 | 116.0° | 120.0° |
| O24 | C10 | N11 | 123.6° | 120.0° |
| C10 | N11 | C12 | 127.2° | 120.0° |
| C10 | N11 | H37 | 116.4° | 120.0° |
| C33 | C32 | C31 | 121.2° | 120.0° |
| C32 | C33 | C34 | 118.4° | 120.0° |
| C33 | C32 | H33 | 119.4° | 120.0° |
| C32 | C33 | H34 | 120.8° | 120.0° |
| C32 | C31 | C28 | 119.0° | 120.0° |
| C32 | C31 | H32 | 120.5° | 120.0° |
| C31 | C32 | H33 | 119.4° | 120.0° |
| C33 | C34 | C35 | 120.7° | 120.0° |
| C34 | C33 | H34 | 120.8° | 120.0° |
| C33 | C34 | H35 | 119.6° | 120.0° |
| C31 | C28 | C35 | 119.3° | 120.0° |
| C31 | C28 | C26 | 122.1° | 120.0° |
| C28 | C31 | H32 | 120.5° | 120.0° |
| N11 | C12 | C26 | 112.7° | 109.4° |
| N11 | C12 | C13 | 106.4° | 109.5° |
| N11 | C12 | H5 | 110.5° | 109.4° |
| C12 | N11 | H37 | 116.4° | 120.0° |
| C34 | C35 | C28 | 121.3° | 120.0° |
| C35 | C34 | H35 | 119.6° | 120.0° |
| C34 | C35 | H36 | 119.3° | 120.0° |
| C35 | C28 | C26 | 118.6° | 120.0° |
| C28 | C35 | H36 | 119.4° | 120.0° |
| C28 | C26 | C12 | 108.0° | 109.5° |
| C28 | C26 | H30 | 109.8° | 109.5° |
| C28 | C26 | H31 | 109.8° | 109.4° |
| C26 | C12 | C13 | 108.1° | 109.5° |
| C26 | C12 | H5 | 109.4° | 109.5° |
| C12 | C26 | H30 | 109.8° | 109.5° |
| C12 | C26 | H31 | 109.8° | 109.4° |
| C12 | C13 | C14 | 111.9° | 109.4° |
| C12 | C13 | O41 | 109.3° | 109.5° |
| C13 | C12 | H5 | 109.5° | 109.5° |
| C12 | C13 | H6 | 109.2° | 109.4° |
| C51 | C52 | C45 | 117.3° | 120.0° |
| C52 | C51 | C50 | 120.4° | 120.0° |
| C51 | C52 | H11 | 121.4° | 120.0° |
| C52 | C51 | H12 | 119.8° | 120.0° |
| C52 | C45 | C44 | 119.7° | 120.0° |
| C52 | C45 | C48 | 122.5° | 120.0° |
| C45 | C52 | H11 | 121.3° | 120.0° |
| C13 | C14 | C15 | 113.1° | 109.5° |
| C14 | C13 | O41 | 105.8° | 109.5° |
| C14 | C13 | H6 | 110.0° | 109.5° |
| C13 | C14 | H7 | 108.5° | 109.5° |
| C13 | C14 | H8 | 108.5° | 109.5° |
| C14 | C15 | C44 | 106.4° | 109.5° |
| C14 | C15 | N58 | 109.6° | 109.5° |
| C15 | C14 | H7 | 108.5° | 109.4° |
| C15 | C14 | H8 | 108.6° | 109.5° |
| C14 | C15 | H9 | 110.8° | 109.5° |
| C51 | C50 | C49 | 120.5° | 120.0° |
| C50 | C51 | H12 | 119.8° | 120.0° |
| C51 | C50 | H13 | 119.8° | 120.0° |
| O41 | C13 | H6 | 110.6° | 109.5° |
| C13 | O41 | H29 | 109.5° | 114.0° |
| C15 | C44 | C45 | 108.8° | 109.4° |
| C44 | C15 | N58 | 107.9° | 109.5° |
| C44 | C15 | H9 | 110.3° | 109.5° |
| C15 | C44 | H16 | 109.7° | 109.4° |
| C15 | C44 | H17 | 109.7° | 109.5° |
| C44 | C45 | C48 | 117.9° | 120.0° |
| C45 | C44 | H16 | 109.6° | 109.5° |
| C45 | C44 | H17 | 109.6° | 109.4° |
| C15 | N58 | C18 | 121.9° | 120.0° |
| N58 | C15 | H9 | 111.6° | 109.4° |
| C15 | N58 | H18 | 119.1° | 120.0° |
| C45 | C48 | C49 | 121.2° | 120.0° |
| C45 | C48 | H15 | 119.4° | 120.0° |
| C50 | C49 | C48 | 118.1° | 120.0° |
| C49 | C50 | H13 | 119.7° | 120.0° |
| C50 | C49 | H14 | 120.9° | 120.0° |
| O61 | C18 | N58 | 123.2° | 120.0° |
| O61 | C18 | C19 | 122.3° | 120.0° |
| C48 | C49 | H14 | 120.9° | 119.9° |
| C49 | C48 | H15 | 119.4° | 120.0° |
| N58 | C18 | C19 | 114.3° | 120.0° |
| C18 | N58 | H18 | 119.0° | 120.0° |
| C18 | C19 | C62 | 110.2° | 109.5° |
| C18 | C19 | N20 | 110.3° | 109.5° |
| C18 | C19 | H10 | 107.6° | 109.5° |
| C68 | C62 | C19 | 111.2° | 109.5° |
| C68 | C62 | C64 | 111.7° | 109.5° |
| C68 | C62 | H22 | 107.6° | 109.5° |
| C62 | C68 | H23 | 109.5° | 109.4° |
| C62 | C68 | H24 | 109.5° | 109.4° |
| C62 | C68 | H25 | 109.5° | 109.5° |
| C62 | C19 | N20 | 112.4° | 109.5° |
| C19 | C62 | C64 | 111.1° | 109.5° |
| C62 | C19 | H10 | 107.7° | 109.5° |
| C19 | C62 | H22 | 107.3° | 109.4° |
| N20 | C19 | H10 | 108.5° | 109.5° |
| C19 | N20 | H19 | 109.5° | 111.1° |
| C19 | N20 | H20 | 109.5° | 111.0° |
| C64 | C62 | H22 | 107.7° | 109.5° |
| C62 | C64 | H26 | 109.5° | 109.5° |
| C62 | C64 | H27 | 109.4° | 109.5° |
| C62 | C64 | H28 | 109.4° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H16 | C44 | H17 | 109.5° | 109.6° |
| H19 | N20 | H20 | 109.5° | 111.0° |
| H23 | C68 | H24 | 109.4° | 109.5° |
| H23 | C68 | H25 | 109.5° | 109.5° |
| H24 | C68 | H25 | 109.5° | 109.4° |
| H26 | C64 | H27 | 109.5° | 109.5° |
| H26 | C64 | H28 | 109.5° | 109.4° |
| H27 | C64 | H28 | 109.5° | 109.4° |
| H30 | C26 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C1 | C2 | H1 | 180.0° | 179.8° |
| C1 | N5 | C4 | S3 | 1.7° | 0.3° |
| N5 | C1 | C2 | S3 | 0.2° | 0.2° |
| N5 | C1 | C2 | C6 | 178.6° | 179.8° |
| C1 | N5 | C4 | H2 | 178.4° | 180.0° |
| C4 | N5 | C1 | C2 | 1.3° | 0.1° |
| N5 | C4 | S3 | H2 | 180.0° | 179.6° |
| N5 | C4 | S3 | C2 | 1.4° | 0.3° |
| C4 | N5 | C1 | H1 | 178.7° | 179.7° |
| C1 | C2 | S3 | C4 | 0.7° | 0.3° |
| C1 | C2 | S3 | C6 | 178.8° | 180.0° |
| C1 | C2 | C6 | O7 | 88.2° | 89.9° |
| C1 | C2 | C6 | H3 | 31.8° | 150.0° |
| C1 | C2 | C6 | H4 | 151.9° | 30.0° |
| C4 | S3 | C2 | C6 | 179.5° | 179.7° |
| S3 | C2 | C6 | O7 | 93.2° | 90.0° |
| S3 | C2 | C1 | H1 | 179.8° | 180.0° |
| C2 | S3 | C4 | H2 | 178.7° | 180.0° |
| S3 | C2 | C6 | H3 | 146.9° | 30.0° |
| S3 | C2 | C6 | H4 | 26.7° | 150.1° |
| C2 | C6 | O7 | H3 | 120.0° | 120.1° |
| C2 | C6 | O7 | H4 | 120.0° | 119.9° |
| C2 | C6 | O7 | C10 | 99.5° | 180.0° |
| C6 | C2 | C1 | H1 | 1.4° | 0.1° |
| C2 | C6 | H3 | H4 | 120.2° | 120.0° |
| C6 | O7 | C10 | O24 | 1.0° | 0.0° |
| C6 | O7 | C10 | N11 | 178.9° | 180.0° |
| O7 | C6 | H3 | H4 | 120.1° | 119.9° |
| O7 | C10 | O24 | N11 | 177.7° | 180.0° |
| O7 | C10 | N11 | C12 | 179.0° | 180.0° |
| C10 | O7 | C6 | H3 | 140.6° | 59.9° |
| C10 | O7 | C6 | H4 | 20.5° | 60.1° |
| O7 | C10 | N11 | H37 | 1.1° | 0.1° |
| O24 | C10 | N11 | C12 | 3.2° | 0.0° |
| O24 | C10 | N11 | H37 | 176.7° | 179.9° |
| C10 | N11 | C12 | H37 | 180.0° | 179.9° |
| C10 | N11 | C12 | C26 | 114.8° | 85.0° |
| C10 | N11 | C12 | C13 | 126.8° | 155.0° |
| C10 | N11 | C12 | H5 | 8.0° | 35.0° |
| C33 | C32 | C31 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | H34 | 180.0° | 180.0° |
| C33 | C32 | C31 | C28 | 0.3° | 0.0° |
| C32 | C33 | C34 | C35 | 1.9° | 0.1° |
| C33 | C32 | C31 | H32 | 179.7° | 180.0° |
| C32 | C33 | C34 | H35 | 178.0° | 180.0° |
| C31 | C32 | C33 | C34 | 1.1° | 0.0° |
| C32 | C31 | C28 | H32 | 180.0° | 179.9° |
| C32 | C31 | C28 | C35 | 0.4° | 0.0° |
| C32 | C31 | C28 | C26 | 179.9° | 179.7° |
| C31 | C32 | C33 | H34 | 178.9° | 179.9° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C33 | C34 | C35 | C28 | 2.1° | 0.1° |
| C34 | C33 | C32 | H33 | 178.9° | 180.0° |
| C33 | C34 | C35 | H36 | 178.0° | 179.7° |
| C31 | C28 | C35 | C34 | 1.2° | 0.0° |
| C31 | C28 | C35 | C26 | 179.6° | 179.7° |
| C31 | C28 | C26 | C12 | 88.3° | 89.7° |
| C31 | C28 | C26 | H30 | 151.9° | 150.3° |
| C31 | C28 | C26 | H31 | 31.5° | 30.2° |
| C28 | C31 | C32 | H33 | 179.7° | 179.9° |
| C31 | C28 | C35 | H36 | 178.8° | 179.7° |
| N11 | C12 | C26 | C28 | 69.3° | 65.0° |
| N11 | C12 | C26 | C13 | 117.4° | 120.0° |
| N11 | C12 | C26 | H5 | 123.4° | 120.0° |
| N11 | C12 | C13 | H5 | 119.5° | 120.0° |
| N11 | C12 | C13 | C14 | 54.7° | 60.0° |
| N11 | C12 | C13 | O41 | 62.2° | 60.0° |
| N11 | C12 | C13 | H6 | 176.8° | 180.0° |
| N11 | C12 | C26 | H30 | 171.0° | 55.0° |
| N11 | C12 | C26 | H31 | 50.5° | 175.0° |
| C34 | C35 | C28 | H36 | 180.0° | 179.7° |
| C34 | C35 | C28 | C26 | 179.2° | 179.7° |
| C35 | C34 | C33 | H34 | 178.0° | 179.9° |
| C35 | C28 | C26 | C12 | 92.1° | 90.0° |
| C35 | C28 | C26 | H30 | 27.7° | 30.0° |
| C35 | C28 | C26 | H31 | 148.1° | 150.0° |
| C35 | C28 | C31 | H32 | 179.7° | 180.0° |
| C28 | C35 | C34 | H35 | 177.9° | 180.0° |
| C28 | C26 | C12 | H30 | 119.8° | 120.0° |
| C28 | C26 | C12 | H31 | 119.8° | 119.9° |
| C28 | C26 | C12 | C13 | 173.3° | 175.0° |
| C28 | C26 | C12 | H5 | 54.1° | 55.0° |
| C28 | C26 | H30 | H31 | 120.7° | 120.0° |
| C26 | C28 | C31 | H32 | 0.1° | 0.3° |
| C26 | C28 | C35 | H36 | 0.8° | 0.0° |
| C26 | C12 | C13 | H5 | 119.1° | 120.1° |
| C26 | C12 | C13 | C14 | 176.1° | 180.0° |
| C26 | C12 | C13 | O41 | 59.2° | 60.0° |
| C26 | C12 | C13 | H6 | 61.9° | 60.1° |
| C12 | C26 | H30 | H31 | 120.7° | 120.0° |
| C26 | C12 | N11 | H37 | 65.2° | 95.0° |
| C12 | C13 | C14 | O41 | 119.0° | 120.0° |
| C12 | C13 | C14 | H6 | 121.6° | 119.9° |
| C12 | C13 | C14 | C15 | 74.1° | 175.0° |
| C12 | C13 | O41 | H6 | 120.3° | 120.0° |
| C12 | C13 | C14 | H7 | 165.4° | 65.1° |
| C12 | C13 | C14 | H8 | 46.5° | 55.0° |
| C12 | C13 | O41 | H29 | 180.0° | 60.0° |
| C13 | C12 | C26 | H30 | 53.6° | 65.0° |
| C13 | C12 | C26 | H31 | 66.9° | 55.1° |
| C13 | C12 | N11 | H37 | 53.2° | 24.9° |
| C51 | C52 | C45 | H11 | 180.0° | 179.7° |
| C52 | C51 | C50 | H12 | 180.0° | 179.9° |
| C51 | C52 | C45 | C44 | 178.1° | 180.0° |
| C51 | C52 | C45 | C48 | 1.0° | 0.0° |
| C52 | C51 | C50 | C49 | 0.9° | 0.1° |
| C52 | C51 | C50 | H13 | 179.1° | 179.9° |
| C45 | C52 | C51 | C50 | 0.5° | 0.0° |
| C52 | C45 | C44 | C15 | 76.0° | 90.0° |
| C52 | C45 | C44 | C48 | 179.2° | 180.0° |
| C52 | C45 | C48 | C49 | 0.1° | 0.0° |
| C45 | C52 | C51 | H12 | 179.5° | 180.0° |
| C52 | C45 | C48 | H15 | 179.9° | 180.0° |
| C52 | C45 | C44 | H16 | 164.1° | 30.0° |
| C52 | C45 | C44 | H17 | 43.9° | 150.1° |
| C13 | C14 | C15 | H7 | 120.5° | 120.0° |
| C13 | C14 | C15 | H8 | 120.5° | 120.0° |
| C14 | C13 | O41 | H6 | 119.1° | 120.1° |
| C13 | C14 | C15 | C44 | 170.7° | 175.0° |
| C13 | C14 | C15 | N58 | 54.2° | 64.9° |
| C14 | C13 | C12 | H5 | 64.8° | 59.9° |
| C13 | C14 | H7 | H8 | 118.3° | 120.0° |
| C13 | C14 | C15 | H9 | 69.4° | 55.0° |
| C14 | C13 | O41 | H29 | 59.4° | 60.0° |
| C15 | C14 | C13 | O41 | 166.9° | 65.0° |
| C14 | C15 | C44 | N58 | 117.6° | 120.0° |
| C14 | C15 | C44 | H9 | 120.3° | 120.0° |
| C14 | C15 | C44 | C45 | 171.9° | 175.0° |
| C14 | C15 | N58 | H9 | 123.1° | 120.0° |
| C14 | C15 | N58 | C18 | 116.3° | 155.0° |
| C15 | C14 | C13 | H6 | 47.5° | 55.1° |
| C15 | C14 | H7 | H8 | 118.4° | 120.0° |
| C14 | C15 | C44 | H16 | 68.2° | 65.0° |
| C14 | C15 | C44 | H17 | 52.1° | 55.0° |
| C14 | C15 | N58 | H18 | 63.7° | 25.0° |
| C51 | C50 | C49 | H13 | 180.0° | 180.0° |
| C51 | C50 | C49 | C48 | 1.9° | 0.1° |
| C50 | C51 | C52 | H11 | 179.5° | 179.7° |
| C51 | C50 | C49 | H14 | 178.1° | 180.0° |
| O41 | C13 | C12 | H5 | 178.3° | 180.0° |
| O41 | C13 | C14 | H7 | 46.4° | 54.9° |
| O41 | C13 | C14 | H8 | 72.5° | 175.0° |
| C15 | C44 | C45 | H16 | 119.9° | 120.0° |
| C15 | C44 | C45 | H17 | 119.9° | 119.9° |
| C44 | C15 | N58 | H9 | 121.3° | 120.0° |
| C15 | C44 | C45 | C48 | 103.2° | 90.0° |
| C44 | C15 | N58 | C18 | 128.2° | 85.0° |
| C44 | C15 | C14 | H7 | 50.1° | 65.0° |
| C44 | C15 | C14 | H8 | 68.8° | 55.0° |
| C15 | C44 | H16 | H17 | 120.3° | 120.0° |
| C44 | C15 | N58 | H18 | 51.8° | 95.0° |
| C45 | C44 | C15 | N58 | 70.4° | 65.0° |
| C44 | C45 | C48 | C49 | 179.1° | 180.0° |
| C45 | C44 | C15 | H9 | 51.7° | 55.0° |
| C44 | C45 | C52 | H11 | 1.9° | 0.3° |
| C44 | C45 | C48 | H15 | 0.9° | 0.0° |
| C45 | C44 | H16 | H17 | 120.3° | 120.0° |
| C15 | N58 | C18 | O61 | 6.1° | 0.0° |
| C15 | N58 | C18 | H18 | 180.0° | 180.0° |
| C15 | N58 | C18 | C19 | 178.8° | 180.0° |
| N58 | C15 | C14 | H7 | 66.4° | 55.0° |
| N58 | C15 | C14 | H8 | 174.7° | 175.0° |
| N58 | C15 | C44 | H16 | 49.5° | 55.0° |
| N58 | C15 | C44 | H17 | 169.7° | 175.1° |
| C45 | C48 | C49 | C50 | 1.4° | 0.0° |
| C45 | C48 | C49 | H15 | 180.0° | 180.0° |
| C48 | C45 | C52 | H11 | 179.0° | 179.7° |
| C45 | C48 | C49 | H14 | 178.6° | 180.0° |
| C48 | C45 | C44 | H16 | 16.7° | 150.0° |
| C48 | C45 | C44 | H17 | 136.9° | 29.9° |
| C50 | C49 | C48 | H14 | 180.0° | 179.9° |
| C49 | C50 | C51 | H12 | 179.0° | 180.0° |
| C50 | C49 | C48 | H15 | 178.6° | 179.9° |
| O61 | C18 | N58 | C19 | 175.1° | 180.0° |
| O61 | C18 | C19 | C62 | 90.6° | 100.0° |
| O61 | C18 | C19 | N20 | 34.1° | 20.0° |
| O61 | C18 | C19 | H10 | 152.3° | 140.0° |
| O61 | C18 | N58 | H18 | 173.9° | 180.0° |
| C48 | C49 | C50 | H13 | 178.1° | 179.9° |
| N58 | C18 | C19 | C62 | 84.6° | 80.0° |
| N58 | C18 | C19 | N20 | 150.7° | 160.0° |
| C18 | N58 | C15 | H9 | 6.9° | 35.0° |
| N58 | C18 | C19 | H10 | 32.6° | 40.0° |
| C18 | C19 | C62 | C68 | 63.5° | 180.0° |
| C18 | C19 | C62 | N20 | 123.5° | 120.0° |
| C18 | C19 | C62 | H10 | 117.1° | 120.0° |
| C18 | C19 | N20 | H10 | 117.6° | 120.0° |
| C18 | C19 | C62 | C64 | 171.5° | 60.0° |
| C19 | C18 | N58 | H18 | 1.2° | 0.0° |
| C18 | C19 | N20 | H19 | 180.0° | 64.0° |
| C18 | C19 | N20 | H20 | 60.0° | 60.0° |
| C18 | C19 | C62 | H22 | 54.0° | 60.0° |
| C68 | C62 | C19 | C64 | 125.1° | 120.0° |
| C68 | C62 | C19 | H22 | 117.4° | 120.0° |
| C68 | C62 | C19 | N20 | 60.0° | 60.0° |
| C68 | C62 | C64 | H22 | 117.9° | 120.0° |
| C68 | C62 | C19 | H10 | 179.5° | 60.0° |
| C62 | C68 | H23 | H24 | 120.0° | 120.0° |
| C62 | C68 | H23 | H25 | 120.0° | 120.0° |
| C62 | C68 | H24 | H25 | 120.0° | 120.0° |
| C68 | C62 | C64 | H26 | 180.0° | 180.0° |
| C68 | C62 | C64 | H27 | 60.0° | 60.0° |
| C68 | C62 | C64 | H28 | 60.0° | 60.0° |
| C62 | C19 | N20 | H10 | 119.0° | 120.0° |
| C19 | C62 | C64 | H22 | 117.3° | 120.0° |
| C62 | C19 | N20 | H19 | 56.6° | 176.0° |
| C62 | C19 | N20 | H20 | 176.6° | 60.0° |
| C19 | C62 | C68 | H23 | 180.0° | 60.0° |
| C19 | C62 | C68 | H24 | 60.0° | 180.0° |
| C19 | C62 | C68 | H25 | 60.0° | 60.0° |
| C19 | C62 | C64 | H26 | 55.2° | 60.0° |
| C19 | C62 | C64 | H27 | 64.8° | 180.0° |
| C19 | C62 | C64 | H28 | 175.2° | 60.0° |
| N20 | C19 | C62 | C64 | 65.0° | 60.0° |
| C19 | N20 | H19 | H20 | 120.0° | 124.0° |
| N20 | C19 | C62 | H22 | 177.4° | 180.0° |
| C64 | C62 | C19 | H10 | 54.4° | 180.0° |
| C64 | C62 | C68 | H23 | 55.2° | 60.0° |
| C64 | C62 | C68 | H24 | 64.7° | 60.0° |
| C64 | C62 | C68 | H25 | 175.3° | 180.0° |
| C62 | C64 | H26 | H27 | 120.0° | 120.1° |
| C62 | C64 | H26 | H28 | 120.0° | 120.0° |
| C62 | C64 | H27 | H28 | 120.0° | 120.0° |
| H5 | C12 | C13 | H6 | 57.3° | 60.0° |
| H5 | C12 | C26 | H30 | 65.6° | 175.0° |
| H5 | C12 | C26 | H31 | 173.9° | 65.0° |
| H5 | C12 | N11 | H37 | 172.0° | 144.9° |
| H6 | C13 | C14 | H7 | 73.0° | 175.0° |
| H6 | C13 | C14 | H8 | 168.0° | 64.9° |
| H6 | C13 | O41 | H29 | 59.7° | 180.0° |
| H7 | C14 | C15 | H9 | 170.1° | 175.0° |
| H8 | C14 | C15 | H9 | 51.1° | 65.0° |
| H9 | C15 | C44 | H16 | 171.6° | 175.0° |
| H9 | C15 | C44 | H17 | 68.2° | 65.0° |
| H9 | C15 | N58 | H18 | 173.2° | 145.0° |
| H10 | C19 | N20 | H19 | 62.4° | 56.0° |
| H10 | C19 | N20 | H20 | 57.6° | 180.0° |
| H10 | C19 | C62 | H22 | 63.1° | 60.0° |
| H11 | C52 | C51 | H12 | 0.5° | 0.3° |
| H12 | C51 | C50 | H13 | 1.0° | 0.0° |
| H13 | C50 | C49 | H14 | 1.9° | 0.0° |
| H14 | C49 | C48 | H15 | 1.4° | 0.0° |
| H22 | C62 | C68 | H23 | 62.8° | 180.0° |
| H22 | C62 | C68 | H24 | 177.3° | 60.0° |
| H22 | C62 | C68 | H25 | 57.3° | 59.9° |
| H22 | C62 | C64 | H26 | 62.1° | 60.0° |
| H22 | C62 | C64 | H27 | 177.9° | 60.0° |
| H22 | C62 | C64 | H28 | 57.9° | 179.9° |
| H23 | C68 | H24 | H25 | 120.0° | 120.1° |
| H26 | C64 | H27 | H28 | 120.0° | 119.9° |
| H32 | C31 | C32 | H33 | 0.3° | 0.0° |
| H33 | C32 | C33 | H34 | 1.1° | 0.0° |
| H34 | C33 | C34 | H35 | 2.0° | 0.1° |
| H35 | C34 | C35 | H36 | 2.1° | 0.3° |
