ESN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C21 | sing | 1.43Å | 1.43Å | |
| O20 | C19 | sing | 1.43Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | C17 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | N16 | sing | 1.47Å | 1.47Å | |
| N16 | C15 | sing | 1.38Å | 1.36Å | |
| C15 | N14 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | N23 | sing | 1.33Å | 1.34Å | Aromatic |
| N14 | C13 | sing | 1.33Å | 1.34Å | Aromatic |
| N23 | C24 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | C8 | sing | 1.48Å | 1.48Å | |
| C13 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | CL1 | sing | 1.74Å | 1.73Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| O12 | C11 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.48Å | 1.48Å | |
| C10 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | N3 | sing | 1.34Å | 1.37Å | |
| N3 | C2 | sing | 1.46Å | 1.46Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C2 | C27 | sing | 1.51Å | 1.53Å | |
| C27 | N29 | sing | 1.35Å | 1.33Å | |
| C27 | O28 | doub | 1.21Å | 1.23Å | |
| N29 | C30 | sing | 1.47Å | 1.47Å | |
| O32 | C31 | sing | 1.43Å | 1.40Å | |
| C38 | C37 | sing | 1.51Å | 1.51Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C39 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C33 | sing | 1.51Å | 1.52Å | |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C1 | H43 | sing | 1.09Å | 1.10Å | |
| C1 | H42 | sing | 1.09Å | 1.10Å | |
| C2 | H40 | sing | 1.09Å | 1.10Å | |
| C6 | H47 | sing | 1.08Å | 1.08Å | |
| C7 | H48 | sing | 1.08Å | 1.08Å | |
| C19 | H54 | sing | 1.09Å | 1.10Å | |
| C19 | H55 | sing | 1.09Å | 1.10Å | |
| C21 | H57 | sing | 1.09Å | 1.10Å | |
| C21 | H56 | sing | 1.09Å | 1.10Å | |
| C22 | H58 | sing | 1.09Å | 1.10Å | |
| C22 | H59 | sing | 1.09Å | 1.10Å | |
| C24 | H60 | sing | 1.08Å | 1.08Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C31 | H63 | sing | 1.09Å | 1.10Å | |
| C35 | H66 | sing | 1.08Å | 1.08Å | |
| C36 | H67 | sing | 1.08Å | 1.08Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | H70 | sing | 1.09Å | 1.10Å | |
| C39 | H71 | sing | 1.08Å | 1.08Å | |
| C4 | H46 | sing | 1.09Å | 1.10Å | |
| C4 | H45 | sing | 1.09Å | 1.10Å | |
| C9 | H49 | sing | 1.08Å | 1.08Å | |
| N16 | H50 | sing | 0.97Å | 1.00Å | |
| C17 | H51 | sing | 1.09Å | 1.10Å | |
| C18 | H52 | sing | 1.09Å | 1.10Å | |
| C18 | H53 | sing | 1.09Å | 1.10Å | |
| N29 | H61 | sing | 0.97Å | 1.00Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| O32 | H64 | sing | 0.97Å | 0.95Å | |
| C34 | H65 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | O20 | C19 | 111.2° | 114.1° |
| O20 | C21 | C22 | 111.4° | 109.4° |
| O20 | C21 | H57 | 109.0° | 109.5° |
| O20 | C21 | H56 | 109.0° | 109.5° |
| O20 | C19 | C18 | 112.0° | 109.4° |
| O20 | C19 | H54 | 108.8° | 109.5° |
| O20 | C19 | H55 | 108.8° | 109.5° |
| C21 | C22 | C17 | 111.5° | 109.2° |
| C22 | C21 | H57 | 109.0° | 109.5° |
| C22 | C21 | H56 | 109.0° | 109.4° |
| C21 | C22 | H58 | 109.0° | 109.5° |
| C21 | C22 | H59 | 108.9° | 109.5° |
| C22 | C17 | C18 | 110.4° | 109.0° |
| C22 | C17 | N16 | 109.8° | 109.5° |
| C17 | C22 | H58 | 109.0° | 109.5° |
| C17 | C22 | H59 | 108.9° | 109.5° |
| C22 | C17 | H51 | 108.3° | 109.5° |
| C19 | C18 | C17 | 109.9° | 109.2° |
| C18 | C19 | H54 | 108.9° | 109.5° |
| C18 | C19 | H55 | 108.8° | 109.4° |
| C19 | C18 | H52 | 109.4° | 109.5° |
| C19 | C18 | H53 | 109.4° | 109.5° |
| C18 | C17 | N16 | 110.8° | 109.5° |
| C18 | C17 | H51 | 108.4° | 109.6° |
| C17 | C18 | H52 | 109.4° | 109.5° |
| C17 | C18 | H53 | 109.3° | 109.5° |
| C17 | N16 | C15 | 126.0° | 120.0° |
| C17 | N16 | H50 | 105.2° | 120.0° |
| N16 | C17 | H51 | 109.1° | 109.6° |
| N16 | C15 | N14 | 116.4° | 119.1° |
| N16 | C15 | N23 | 117.2° | 119.1° |
| C15 | N16 | H50 | 105.2° | 120.0° |
| N14 | C15 | N23 | 126.4° | 121.7° |
| C15 | N14 | C13 | 116.8° | 120.7° |
| C15 | N23 | C24 | 115.7° | 121.0° |
| N14 | C13 | C8 | 113.8° | 120.5° |
| N14 | C13 | C25 | 121.2° | 118.9° |
| N23 | C24 | C25 | 122.7° | 119.3° |
| N23 | C24 | H60 | 118.7° | 120.4° |
| C8 | C13 | C25 | 124.9° | 120.5° |
| C13 | C8 | C9 | 122.4° | 120.0° |
| C13 | C8 | C7 | 118.8° | 120.0° |
| C13 | C25 | C24 | 117.2° | 118.4° |
| C13 | C25 | CL1 | 124.0° | 120.8° |
| C24 | C25 | CL1 | 118.8° | 120.8° |
| C25 | C24 | H60 | 118.6° | 120.4° |
| C9 | C8 | C7 | 118.7° | 120.0° |
| C8 | C9 | C10 | 119.6° | 119.7° |
| C8 | C9 | H49 | 120.2° | 120.1° |
| C8 | C7 | C6 | 121.2° | 120.1° |
| C8 | C7 | H48 | 119.4° | 120.0° |
| C9 | C10 | C11 | 130.7° | 132.2° |
| C9 | C10 | C5 | 120.7° | 119.5° |
| C10 | C9 | H49 | 120.2° | 120.1° |
| C7 | C6 | C5 | 120.0° | 120.1° |
| C7 | C6 | H47 | 120.0° | 119.9° |
| C6 | C7 | H48 | 119.4° | 119.9° |
| O12 | C11 | C10 | 128.9° | 124.9° |
| O12 | C11 | N3 | 125.0° | 124.8° |
| C1 | C2 | N3 | 112.5° | 109.5° |
| C1 | C2 | C27 | 110.8° | 109.5° |
| C2 | C1 | H44 | 109.5° | 109.5° |
| C2 | C1 | H43 | 109.4° | 109.5° |
| C2 | C1 | H42 | 109.5° | 109.5° |
| C1 | C2 | H40 | 107.6° | 109.5° |
| C11 | C10 | C5 | 108.4° | 108.3° |
| C10 | C11 | N3 | 106.0° | 110.3° |
| C10 | C5 | C6 | 119.7° | 120.5° |
| C10 | C5 | C4 | 109.6° | 106.4° |
| C11 | N3 | C2 | 122.3° | 125.6° |
| C11 | N3 | C4 | 112.9° | 108.8° |
| C2 | N3 | C4 | 123.6° | 125.6° |
| N3 | C2 | C27 | 109.9° | 109.5° |
| N3 | C2 | H40 | 108.4° | 109.5° |
| N3 | C4 | C5 | 102.0° | 106.3° |
| N3 | C4 | H46 | 111.3° | 109.8° |
| N3 | C4 | H45 | 111.3° | 110.4° |
| C6 | C5 | C4 | 130.7° | 133.1° |
| C5 | C6 | H47 | 120.0° | 120.0° |
| C5 | C4 | H46 | 111.3° | 110.0° |
| C5 | C4 | H45 | 111.3° | 110.1° |
| C2 | C27 | N29 | 114.5° | 120.0° |
| C2 | C27 | O28 | 121.5° | 120.0° |
| C27 | C2 | H40 | 107.5° | 109.5° |
| N29 | C27 | O28 | 124.1° | 120.0° |
| C27 | N29 | C30 | 124.2° | 120.0° |
| C27 | N29 | H61 | 117.9° | 120.0° |
| N29 | C30 | C31 | 109.1° | 109.5° |
| N29 | C30 | C33 | 111.8° | 109.5° |
| C30 | N29 | H61 | 117.9° | 120.0° |
| N29 | C30 | H41 | 109.1° | 109.4° |
| O32 | C31 | C30 | 111.6° | 109.5° |
| O32 | C31 | H62 | 109.0° | 109.5° |
| O32 | C31 | H63 | 109.0° | 109.5° |
| C31 | O32 | H64 | 109.5° | 114.0° |
| C38 | C37 | C39 | 120.7° | 120.0° |
| C38 | C37 | C36 | 121.1° | 120.0° |
| C37 | C38 | H69 | 109.5° | 109.4° |
| C37 | C38 | H68 | 109.5° | 109.5° |
| C37 | C38 | H70 | 109.5° | 109.5° |
| C31 | C30 | C33 | 109.8° | 109.5° |
| C30 | C31 | H62 | 108.9° | 109.5° |
| C30 | C31 | H63 | 109.0° | 109.4° |
| C31 | C30 | H41 | 108.5° | 109.5° |
| C37 | C39 | C33 | 121.7° | 120.0° |
| C39 | C37 | C36 | 118.2° | 120.0° |
| C37 | C39 | H71 | 119.1° | 120.0° |
| C39 | C33 | C30 | 120.6° | 120.0° |
| C39 | C33 | C34 | 118.8° | 120.0° |
| C33 | C39 | H71 | 119.1° | 120.0° |
| C30 | C33 | C34 | 120.5° | 120.0° |
| C33 | C30 | H41 | 108.5° | 109.5° |
| C37 | C36 | C35 | 121.0° | 120.0° |
| C37 | C36 | H67 | 119.5° | 120.0° |
| C33 | C34 | C35 | 120.2° | 120.0° |
| C33 | C34 | H65 | 119.9° | 120.0° |
| C36 | C35 | C34 | 120.0° | 120.0° |
| C36 | C35 | H66 | 120.0° | 120.0° |
| C35 | C36 | H67 | 119.5° | 120.0° |
| C34 | C35 | H66 | 120.0° | 119.9° |
| C35 | C34 | H65 | 119.9° | 120.0° |
| H44 | C1 | H43 | 109.5° | 109.4° |
| H44 | C1 | H42 | 109.5° | 109.5° |
| H43 | C1 | H42 | 109.5° | 109.5° |
| H54 | C19 | H55 | 109.5° | 109.5° |
| H57 | C21 | H56 | 109.5° | 109.5° |
| H58 | C22 | H59 | 109.5° | 109.6° |
| H62 | C31 | H63 | 109.5° | 109.5° |
| H69 | C38 | H68 | 109.5° | 109.4° |
| H69 | C38 | H70 | 109.4° | 109.5° |
| H68 | C38 | H70 | 109.5° | 109.5° |
| H46 | C4 | H45 | 109.4° | 110.1° |
| H52 | C18 | H53 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C21 | C22 | H57 | 120.3° | 120.0° |
| O20 | C21 | C22 | H56 | 120.3° | 120.0° |
| O20 | C21 | C22 | C17 | 54.6° | 57.6° |
| C21 | O20 | C19 | C18 | 60.6° | 61.2° |
| C21 | O20 | C19 | H54 | 179.0° | 58.8° |
| C21 | O20 | C19 | H55 | 59.7° | 178.9° |
| O20 | C21 | H57 | H56 | 119.1° | 120.1° |
| O20 | C21 | C22 | H58 | 174.9° | 177.5° |
| O20 | C21 | C22 | H59 | 65.7° | 62.3° |
| C19 | O20 | C21 | C22 | 58.6° | 61.2° |
| O20 | C19 | C18 | H54 | 120.4° | 120.0° |
| O20 | C19 | C18 | H55 | 120.4° | 120.0° |
| O20 | C19 | C18 | C17 | 57.1° | 57.6° |
| O20 | C19 | H54 | H55 | 118.8° | 120.1° |
| C19 | O20 | C21 | H57 | 61.7° | 178.9° |
| C19 | O20 | C21 | H56 | 178.9° | 58.8° |
| O20 | C19 | C18 | H52 | 62.9° | 62.3° |
| O20 | C19 | C18 | H53 | 177.2° | 177.5° |
| C21 | C22 | C17 | H58 | 120.3° | 119.9° |
| C21 | C22 | C17 | H59 | 120.3° | 119.9° |
| C21 | C22 | C17 | C18 | 51.4° | 57.0° |
| C21 | C22 | C17 | N16 | 173.9° | 176.8° |
| C22 | C21 | H57 | H56 | 119.1° | 120.0° |
| C21 | C22 | H58 | H59 | 119.1° | 120.2° |
| C21 | C22 | C17 | H51 | 67.1° | 63.0° |
| C22 | C17 | C18 | C19 | 52.1° | 57.0° |
| C22 | C17 | C18 | N16 | 121.9° | 119.9° |
| C22 | C17 | C18 | H51 | 118.5° | 119.9° |
| C22 | C17 | N16 | H51 | 118.5° | 120.2° |
| C22 | C17 | N16 | C15 | 80.2° | 155.0° |
| C17 | C22 | C21 | H57 | 65.7° | 177.6° |
| C17 | C22 | C21 | H56 | 174.9° | 62.4° |
| C17 | C22 | H58 | H59 | 119.1° | 120.2° |
| C22 | C17 | N16 | H50 | 42.0° | 25.0° |
| C22 | C17 | C18 | H52 | 67.9° | 62.9° |
| C22 | C17 | C18 | H53 | 172.2° | 176.9° |
| C19 | C18 | C17 | H52 | 120.0° | 119.9° |
| C19 | C18 | C17 | H53 | 120.1° | 119.9° |
| C19 | C18 | C17 | N16 | 174.0° | 176.9° |
| C18 | C19 | H54 | H55 | 118.9° | 120.0° |
| C19 | C18 | C17 | H51 | 66.4° | 62.9° |
| C19 | C18 | H52 | H53 | 119.8° | 120.2° |
| C18 | C17 | N16 | H51 | 119.2° | 120.3° |
| C18 | C17 | N16 | C15 | 157.6° | 85.5° |
| C17 | C18 | C19 | H54 | 177.5° | 62.4° |
| C17 | C18 | C19 | H55 | 63.3° | 177.6° |
| C18 | C17 | C22 | H58 | 171.8° | 176.9° |
| C18 | C17 | C22 | H59 | 68.8° | 63.0° |
| C18 | C17 | N16 | H50 | 80.2° | 94.5° |
| C17 | C18 | H52 | H53 | 119.8° | 120.1° |
| C17 | N16 | C15 | H50 | 122.2° | 180.0° |
| C17 | N16 | C15 | N14 | 2.1° | 180.0° |
| C17 | N16 | C15 | N23 | 176.8° | 0.1° |
| N16 | C17 | C22 | H58 | 65.8° | 63.3° |
| N16 | C17 | C22 | H59 | 53.6° | 56.9° |
| N16 | C17 | C18 | H52 | 53.9° | 56.9° |
| N16 | C17 | C18 | H53 | 65.9° | 63.2° |
| N16 | C15 | N14 | N23 | 178.8° | 179.9° |
| N16 | C15 | N14 | C13 | 179.5° | 180.0° |
| N16 | C15 | N23 | C24 | 179.1° | 179.7° |
| C15 | N16 | C17 | H51 | 38.3° | 34.8° |
| N14 | C15 | N23 | C24 | 0.3° | 0.3° |
| C15 | N14 | C13 | C8 | 176.8° | 180.0° |
| C15 | N14 | C13 | C25 | 0.2° | 0.3° |
| N14 | C15 | N16 | H50 | 124.3° | 0.0° |
| N23 | C15 | N14 | C13 | 0.7° | 0.0° |
| C15 | N23 | C24 | C25 | 0.6° | 0.3° |
| C15 | N23 | C24 | H60 | 179.4° | 179.8° |
| N23 | C15 | N16 | H50 | 54.6° | 180.0° |
| N14 | C13 | C8 | C25 | 176.9° | 179.7° |
| N14 | C13 | C25 | C24 | 0.6° | 0.3° |
| N14 | C13 | C8 | C9 | 143.0° | 35.3° |
| N14 | C13 | C8 | C7 | 41.2° | 145.1° |
| N14 | C13 | C25 | CL1 | 179.2° | 179.8° |
| N23 | C24 | C25 | C13 | 1.0° | 0.0° |
| N23 | C24 | C25 | H60 | 180.0° | 179.9° |
| N23 | C24 | C25 | CL1 | 178.8° | 179.9° |
| C8 | C13 | C25 | C24 | 177.3° | 180.0° |
| C13 | C8 | C9 | C7 | 175.8° | 179.7° |
| C13 | C8 | C9 | C10 | 175.5° | 180.0° |
| C8 | C13 | C25 | CL1 | 2.6° | 0.1° |
| C13 | C8 | C7 | C6 | 177.4° | 179.7° |
| C13 | C8 | C7 | H48 | 2.6° | 0.3° |
| C13 | C8 | C9 | H49 | 4.4° | 0.4° |
| C13 | C25 | C24 | CL1 | 179.8° | 179.9° |
| C25 | C13 | C8 | C9 | 40.1° | 145.0° |
| C25 | C13 | C8 | C7 | 135.7° | 34.6° |
| C13 | C25 | C24 | H60 | 179.0° | 179.9° |
| C8 | C9 | C10 | H49 | 180.0° | 179.6° |
| C9 | C8 | C7 | C6 | 1.4° | 0.0° |
| C8 | C9 | C10 | C11 | 177.1° | 179.9° |
| C8 | C9 | C10 | C5 | 2.0° | 0.7° |
| C9 | C8 | C7 | H48 | 178.6° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.4° |
| C8 | C7 | C6 | H48 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 1.5° | 0.0° |
| C8 | C7 | C6 | H47 | 178.6° | 180.0° |
| C7 | C8 | C9 | H49 | 179.8° | 180.0° |
| C9 | C10 | C11 | O12 | 9.6° | 0.5° |
| C9 | C10 | C11 | C5 | 175.6° | 179.5° |
| C9 | C10 | C11 | N3 | 170.1° | 179.5° |
| C9 | C10 | C5 | C6 | 2.0° | 0.6° |
| C9 | C10 | C5 | C4 | 176.9° | 179.6° |
| CL1 | C25 | C24 | H60 | 1.2° | 0.0° |
| C7 | C6 | C5 | C10 | 0.3° | 0.3° |
| C7 | C6 | C5 | H47 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 178.4° | 179.9° |
| O12 | C11 | C10 | N3 | 179.7° | 180.0° |
| O12 | C11 | C10 | C5 | 174.8° | 180.0° |
| O12 | C11 | N3 | C2 | 2.2° | 0.0° |
| O12 | C11 | N3 | C4 | 170.2° | 179.9° |
| C1 | C2 | N3 | C11 | 156.2° | 60.1° |
| C1 | C2 | N3 | C27 | 124.0° | 120.0° |
| C1 | C2 | N3 | H40 | 118.8° | 120.0° |
| C1 | C2 | N3 | C4 | 37.0° | 120.0° |
| C1 | C2 | C27 | H40 | 117.3° | 120.0° |
| C1 | C2 | C27 | N29 | 60.5° | 59.9° |
| C1 | C2 | C27 | O28 | 119.4° | 120.0° |
| C2 | C1 | H44 | H43 | 120.0° | 120.0° |
| C2 | C1 | H44 | H42 | 120.0° | 120.1° |
| C2 | C1 | H43 | H42 | 120.0° | 120.1° |
| C10 | C11 | N3 | C2 | 178.1° | 180.0° |
| C10 | C11 | N3 | C4 | 10.0° | 0.0° |
| C11 | C10 | C5 | C6 | 178.1° | 179.8° |
| C11 | C10 | C5 | C4 | 0.8° | 0.0° |
| C11 | C10 | C9 | H49 | 2.9° | 0.3° |
| C5 | C10 | C11 | N3 | 5.5° | 0.0° |
| C10 | C5 | C4 | N3 | 6.2° | 0.0° |
| C10 | C5 | C6 | C4 | 178.6° | 179.8° |
| C10 | C5 | C6 | H47 | 179.7° | 179.7° |
| C10 | C5 | C4 | H46 | 125.0° | 118.9° |
| C10 | C5 | C4 | H45 | 112.6° | 119.5° |
| C5 | C10 | C9 | H49 | 178.1° | 179.7° |
| C11 | N3 | C2 | C4 | 166.8° | 179.9° |
| C11 | N3 | C4 | C5 | 10.2° | 0.0° |
| C11 | N3 | C2 | C27 | 79.8° | 60.0° |
| C11 | N3 | C2 | H40 | 37.4° | 180.0° |
| C11 | N3 | C4 | H46 | 129.0° | 119.0° |
| C11 | N3 | C4 | H45 | 108.6° | 119.3° |
| C2 | N3 | C4 | C5 | 178.1° | 180.0° |
| N3 | C2 | C27 | H40 | 117.8° | 120.0° |
| N3 | C2 | C27 | N29 | 174.6° | 179.9° |
| N3 | C2 | C27 | O28 | 5.6° | 0.0° |
| N3 | C2 | C1 | H44 | 180.0° | 180.0° |
| N3 | C2 | C1 | H43 | 60.0° | 60.0° |
| N3 | C2 | C1 | H42 | 60.0° | 60.0° |
| C2 | N3 | C4 | H46 | 63.1° | 61.0° |
| C2 | N3 | C4 | H45 | 59.3° | 60.6° |
| N3 | C4 | C5 | C6 | 172.5° | 179.7° |
| N3 | C4 | C5 | H46 | 118.8° | 118.8° |
| N3 | C4 | C5 | H45 | 118.8° | 119.5° |
| C4 | N3 | C2 | C27 | 87.0° | 120.0° |
| C4 | N3 | C2 | H40 | 155.8° | 0.0° |
| N3 | C4 | H46 | H45 | 123.4° | 121.7° |
| C5 | C6 | C7 | H48 | 178.6° | 180.0° |
| C6 | C5 | C4 | H46 | 53.7° | 60.9° |
| C6 | C5 | C4 | H45 | 68.7° | 60.7° |
| C4 | C5 | C6 | H47 | 1.6° | 0.1° |
| C5 | C4 | H46 | H45 | 123.5° | 121.6° |
| C2 | C27 | N29 | O28 | 179.8° | 179.9° |
| C2 | C27 | N29 | C30 | 177.5° | 180.0° |
| C27 | C2 | C1 | H44 | 56.6° | 59.9° |
| C27 | C2 | C1 | H43 | 63.5° | 60.0° |
| C27 | C2 | C1 | H42 | 176.6° | 180.0° |
| C2 | C27 | N29 | H61 | 2.4° | 0.1° |
| C27 | N29 | C30 | H61 | 180.0° | 179.9° |
| C27 | N29 | C30 | C31 | 128.1° | 84.9° |
| C27 | N29 | C30 | C33 | 110.2° | 155.0° |
| N29 | C27 | C2 | H40 | 56.8° | 60.1° |
| C27 | N29 | C30 | H41 | 9.8° | 35.1° |
| O28 | C27 | N29 | C30 | 2.6° | 0.1° |
| O28 | C27 | C2 | H40 | 123.4° | 120.0° |
| O28 | C27 | N29 | H61 | 177.4° | 180.0° |
| N29 | C30 | C31 | O32 | 59.5° | 65.0° |
| N29 | C30 | C31 | C33 | 122.9° | 120.0° |
| N29 | C30 | C31 | H41 | 118.7° | 120.0° |
| N29 | C30 | C33 | C39 | 20.3° | 140.0° |
| N29 | C30 | C33 | H41 | 120.3° | 120.0° |
| N29 | C30 | C33 | C34 | 161.5° | 40.3° |
| N29 | C30 | C31 | H62 | 179.8° | 55.0° |
| N29 | C30 | C31 | H63 | 60.9° | 175.0° |
| O32 | C31 | C30 | H62 | 120.3° | 120.0° |
| O32 | C31 | C30 | H63 | 120.3° | 120.0° |
| O32 | C31 | C30 | C33 | 63.4° | 55.0° |
| O32 | C31 | H62 | H63 | 119.1° | 120.0° |
| O32 | C31 | C30 | H41 | 178.2° | 175.0° |
| C38 | C37 | C39 | C36 | 177.3° | 180.0° |
| C38 | C37 | C39 | C33 | 178.2° | 179.9° |
| C38 | C37 | C36 | C35 | 178.3° | 179.9° |
| C38 | C37 | C36 | H67 | 1.6° | 0.1° |
| C37 | C38 | H69 | H68 | 120.0° | 120.0° |
| C37 | C38 | H69 | H70 | 120.0° | 120.0° |
| C37 | C38 | H68 | H70 | 120.0° | 120.1° |
| C38 | C37 | C39 | H71 | 1.8° | 0.0° |
| C31 | C30 | C33 | C39 | 100.9° | 100.0° |
| C31 | C30 | C33 | H41 | 118.4° | 120.0° |
| C31 | C30 | C33 | C34 | 77.2° | 79.8° |
| C30 | C31 | H62 | H63 | 119.0° | 120.0° |
| C31 | C30 | N29 | H61 | 51.9° | 95.0° |
| C30 | C31 | O32 | H64 | 180.0° | 180.0° |
| C37 | C39 | C33 | H71 | 180.0° | 179.9° |
| C37 | C39 | C33 | C30 | 178.3° | 180.0° |
| C37 | C39 | C33 | C34 | 0.1° | 0.3° |
| C39 | C37 | C36 | C35 | 1.0° | 0.1° |
| C39 | C37 | C36 | H67 | 178.9° | 179.9° |
| C39 | C37 | C38 | H69 | 91.3° | 90.0° |
| C39 | C37 | C38 | H68 | 148.6° | 30.0° |
| C39 | C37 | C38 | H70 | 28.6° | 150.0° |
| C39 | C33 | C30 | C34 | 178.2° | 179.7° |
| C33 | C39 | C37 | C36 | 0.9° | 0.1° |
| C39 | C33 | C34 | C35 | 1.1° | 0.6° |
| C39 | C33 | C30 | H41 | 140.7° | 20.0° |
| C39 | C33 | C34 | H65 | 178.9° | 180.0° |
| C30 | C33 | C34 | C35 | 179.3° | 179.7° |
| C33 | C30 | C31 | H62 | 56.9° | 175.0° |
| C33 | C30 | C31 | H63 | 176.3° | 64.9° |
| C30 | C33 | C39 | H71 | 1.7° | 0.1° |
| C33 | C30 | N29 | H61 | 69.8° | 25.0° |
| C30 | C33 | C34 | H65 | 0.7° | 0.2° |
| C37 | C36 | C35 | H67 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.1° | 0.3° |
| C37 | C36 | C35 | H66 | 179.9° | 180.0° |
| C36 | C37 | C38 | H69 | 91.4° | 90.1° |
| C36 | C37 | C38 | H68 | 28.6° | 150.0° |
| C36 | C37 | C38 | H70 | 148.6° | 29.9° |
| C36 | C37 | C39 | H71 | 179.1° | 179.9° |
| C33 | C34 | C35 | C36 | 1.0° | 0.6° |
| C33 | C34 | C35 | H65 | 180.0° | 179.5° |
| C33 | C34 | C35 | H66 | 179.0° | 179.7° |
| C34 | C33 | C39 | H71 | 179.9° | 179.8° |
| C34 | C33 | C30 | H41 | 41.2° | 160.2° |
| C36 | C35 | C34 | H66 | 180.0° | 179.7° |
| C36 | C35 | C34 | H65 | 179.0° | 180.0° |
| C34 | C35 | C36 | H67 | 179.9° | 179.7° |
| H44 | C1 | H43 | H42 | 120.0° | 120.0° |
| H44 | C1 | C2 | H40 | 60.6° | 60.1° |
| H43 | C1 | C2 | H40 | 179.3° | 180.0° |
| H42 | C1 | C2 | H40 | 59.4° | 60.0° |
| H47 | C6 | C7 | H48 | 1.4° | 0.0° |
| H54 | C19 | C18 | H52 | 57.4° | 177.7° |
| H54 | C19 | C18 | H53 | 62.5° | 57.5° |
| H55 | C19 | C18 | H52 | 176.7° | 57.7° |
| H55 | C19 | C18 | H53 | 56.8° | 62.5° |
| H57 | C21 | C22 | H58 | 54.6° | 62.5° |
| H57 | C21 | C22 | H59 | 174.0° | 57.7° |
| H56 | C21 | C22 | H58 | 64.8° | 57.5° |
| H56 | C21 | C22 | H59 | 54.6° | 177.7° |
| H58 | C22 | C17 | H51 | 53.2° | 56.9° |
| H59 | C22 | C17 | H51 | 172.6° | 177.1° |
| H62 | C31 | C30 | H41 | 61.5° | 65.0° |
| H62 | C31 | O32 | H64 | 59.7° | 60.0° |
| H63 | C31 | C30 | H41 | 57.9° | 55.0° |
| H63 | C31 | O32 | H64 | 59.7° | 60.0° |
| H66 | C35 | C36 | H67 | 0.1° | 0.0° |
| H66 | C35 | C34 | H65 | 1.0° | 0.3° |
| H69 | C38 | H68 | H70 | 120.0° | 120.0° |
| H50 | N16 | C17 | H51 | 160.5° | 145.2° |
| H51 | C17 | C18 | H52 | 173.6° | 177.2° |
| H51 | C17 | C18 | H53 | 53.7° | 57.0° |
| H61 | N29 | C30 | H41 | 170.2° | 145.0° |
