NSZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.52Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.52Å | Aromatic |
| C14 | C12 | sing | 1.39Å | 1.54Å | Aromatic |
| C10 | C13 | doub | 1.38Å | 1.53Å | Aromatic |
| C12 | C4 | sing | 1.48Å | 1.51Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.56Å | Aromatic |
| C9 | C4 | doub | 1.39Å | 1.53Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.48Å | Aromatic |
| N37 | C35 | doub | 1.30Å | 1.36Å | |
| C13 | C11 | sing | 1.38Å | 1.49Å | Aromatic |
| C22 | SG2 | sing | 1.81Å | 1.73Å | |
| C4 | C5 | sing | 1.39Å | 1.55Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.51Å | Aromatic |
| N36 | C35 | sing | 1.37Å | 1.38Å | |
| C35 | N34 | sing | 1.38Å | 1.43Å | |
| C7 | C6 | sing | 1.38Å | 1.53Å | Aromatic |
| C7 | C1 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.48Å | Aromatic |
| O3 | C2 | doub | 1.21Å | 1.22Å | |
| SG2 | C20 | sing | 1.81Å | 1.72Å | |
| C1 | C2 | sing | 1.51Å | 1.31Å | |
| C2 | N16 | sing | 1.35Å | 1.34Å | |
| C20 | C17 | sing | 1.53Å | 1.42Å | |
| N34 | C33 | sing | 1.47Å | 1.44Å | |
| N16 | C17 | sing | 1.46Å | 1.37Å | |
| C17 | C18 | sing | 1.51Å | 1.48Å | |
| O19 | C18 | doub | 1.21Å | 1.26Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.64Å | |
| C18 | N29 | sing | 1.35Å | 1.39Å | |
| N29 | C30 | sing | 1.46Å | 1.40Å | |
| C31 | C30 | sing | 1.53Å | 1.57Å | |
| C30 | C38 | sing | 1.51Å | 1.51Å | |
| O43 | C42 | doub | 1.21Å | 1.27Å | |
| C38 | N40 | sing | 1.35Å | 1.39Å | |
| C38 | O39 | doub | 1.21Å | 1.33Å | |
| N40 | C41 | sing | 1.46Å | 1.39Å | |
| C42 | C41 | sing | 1.51Å | 1.59Å | |
| C42 | N60 | sing | 1.35Å | 1.51Å | |
| C41 | C44 | sing | 1.53Å | 1.44Å | |
| C57 | C56 | doub | 1.38Å | 1.49Å | Aromatic |
| C57 | C52 | sing | 1.38Å | 1.49Å | Aromatic |
| C44 | C45 | sing | 1.51Å | 1.33Å | |
| C58 | C59 | sing | 1.53Å | 1.34Å | |
| C58 | C52 | sing | 1.51Å | 1.51Å | |
| C56 | C55 | sing | 1.38Å | 1.50Å | Aromatic |
| C59 | N60 | sing | 1.47Å | 1.45Å | |
| C52 | C53 | doub | 1.38Å | 1.53Å | Aromatic |
| C47 | C45 | doub | 1.38Å | 1.58Å | Aromatic |
| C47 | C49 | sing | 1.38Å | 1.30Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.49Å | Aromatic |
| C49 | C50 | doub | 1.38Å | 1.46Å | Aromatic |
| C55 | C54 | doub | 1.38Å | 1.49Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.48Å | Aromatic |
| C46 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C50 | C48 | sing | 1.38Å | 1.50Å | Aromatic |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11A | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H120 | sing | 1.09Å | 1.10Å | |
| C20 | H220 | sing | 1.09Å | 1.10Å | |
| C22 | H122 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H322 | sing | 1.09Å | 1.10Å | |
| N29 | HN29 | sing | 0.97Å | 1.00Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H131 | sing | 1.09Å | 1.10Å | |
| C31 | H231 | sing | 1.09Å | 1.10Å | |
| C32 | H132 | sing | 1.09Å | 1.10Å | |
| C32 | H232 | sing | 1.09Å | 1.10Å | |
| C33 | H133 | sing | 1.09Å | 1.10Å | |
| C33 | H233 | sing | 1.09Å | 1.10Å | |
| N34 | HN34 | sing | 0.97Å | 1.00Å | |
| N36 | H136 | sing | 0.97Å | 1.00Å | |
| N36 | H236 | sing | 0.97Å | 1.00Å | |
| N37 | H137 | sing | 0.97Å | 1.00Å | |
| N40 | HN40 | sing | 0.97Å | 1.00Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C44 | H144 | sing | 1.09Å | 1.10Å | |
| C44 | H244 | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| N60 | HN60 | sing | 0.97Å | 1.00Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C10 | 122.0° | 120.2° |
| C15 | C14 | C12 | 118.6° | 119.8° |
| C15 | C14 | H14 | 120.7° | 120.1° |
| C14 | C15 | H15 | 119.0° | 119.9° |
| C15 | C10 | C13 | 118.2° | 120.2° |
| C15 | C10 | H10 | 120.9° | 119.9° |
| C10 | C15 | H15 | 119.0° | 119.9° |
| C14 | C12 | C4 | 123.7° | 120.1° |
| C14 | C12 | C11 | 119.8° | 119.8° |
| C12 | C14 | H14 | 120.7° | 120.1° |
| C10 | C13 | C11 | 122.1° | 120.2° |
| C13 | C10 | H10 | 120.9° | 119.9° |
| C10 | C13 | H13 | 118.9° | 119.9° |
| C4 | C12 | C11 | 116.5° | 120.1° |
| C12 | C4 | C9 | 121.3° | 120.2° |
| C12 | C4 | C5 | 121.1° | 120.1° |
| C12 | C11 | C13 | 119.3° | 119.8° |
| C12 | C11 | H11A | 120.3° | 120.1° |
| C4 | C9 | C8 | 121.9° | 119.9° |
| C9 | C4 | C5 | 117.6° | 119.7° |
| C4 | C9 | H9 | 119.1° | 120.0° |
| C9 | C8 | C7 | 119.0° | 120.1° |
| C9 | C8 | H8 | 120.5° | 120.0° |
| C8 | C9 | H9 | 119.1° | 120.1° |
| N37 | C35 | N36 | 112.1° | 120.0° |
| N37 | C35 | N34 | 121.1° | 120.0° |
| C35 | N37 | H137 | 112.0° | 120.1° |
| C13 | C11 | H11A | 120.3° | 120.1° |
| C11 | C13 | H13 | 119.0° | 119.9° |
| C22 | SG2 | C20 | 118.2° | 103.0° |
| SG2 | C22 | H122 | 109.5° | 109.5° |
| SG2 | C22 | H222 | 109.4° | 109.4° |
| SG2 | C22 | H322 | 109.4° | 109.4° |
| C4 | C5 | C6 | 121.4° | 119.9° |
| C4 | C5 | H5 | 119.3° | 120.1° |
| C8 | C7 | C6 | 121.7° | 120.3° |
| C8 | C7 | C1 | 121.5° | 119.9° |
| C7 | C8 | H8 | 120.5° | 119.9° |
| N36 | C35 | N34 | 126.8° | 120.0° |
| C35 | N36 | H136 | 120.0° | 120.0° |
| C35 | N36 | H236 | 120.0° | 120.0° |
| C35 | N34 | C33 | 128.9° | 120.0° |
| C35 | N34 | HN34 | 115.6° | 120.0° |
| C6 | C7 | C1 | 116.7° | 119.9° |
| C7 | C6 | C5 | 118.5° | 120.1° |
| C7 | C6 | H6 | 120.8° | 119.9° |
| C7 | C1 | C2 | 127.1° | 109.5° |
| C7 | C1 | H11 | 104.0° | 109.5° |
| C7 | C1 | H21 | 104.0° | 109.5° |
| C6 | C5 | H5 | 119.3° | 120.1° |
| C5 | C6 | H6 | 120.8° | 119.9° |
| O3 | C2 | C1 | 112.8° | 120.0° |
| O3 | C2 | N16 | 118.4° | 120.0° |
| SG2 | C20 | C17 | 126.5° | 109.5° |
| SG2 | C20 | H120 | 104.1° | 109.5° |
| SG2 | C20 | H220 | 104.2° | 109.5° |
| C1 | C2 | N16 | 128.8° | 120.0° |
| C2 | C1 | H11 | 104.0° | 109.5° |
| C2 | C1 | H21 | 103.9° | 109.5° |
| C2 | N16 | C17 | 122.3° | 120.0° |
| C2 | N16 | HN16 | 118.9° | 120.0° |
| C20 | C17 | N16 | 113.4° | 109.4° |
| C20 | C17 | C18 | 119.5° | 109.5° |
| C20 | C17 | H17 | 126.8° | 109.5° |
| C17 | C20 | H120 | 104.1° | 109.5° |
| C17 | C20 | H220 | 104.1° | 109.5° |
| N34 | C33 | C32 | 125.3° | 109.5° |
| N34 | C33 | H133 | 104.5° | 109.4° |
| N34 | C33 | H233 | 104.5° | 109.4° |
| C33 | N34 | HN34 | 115.5° | 120.0° |
| N16 | C17 | C18 | 126.5° | 109.5° |
| C17 | N16 | HN16 | 118.8° | 120.0° |
| N16 | C17 | H17 | 92.8° | 109.5° |
| C17 | C18 | O19 | 110.1° | 120.0° |
| C17 | C18 | N29 | 132.0° | 120.1° |
| C18 | C17 | H17 | 62.5° | 109.4° |
| O19 | C18 | N29 | 117.9° | 120.0° |
| C33 | C32 | C31 | 114.8° | 109.5° |
| C33 | C32 | H132 | 107.7° | 109.5° |
| C33 | C32 | H232 | 107.7° | 109.5° |
| C32 | C33 | H133 | 104.5° | 109.5° |
| C32 | C33 | H233 | 104.5° | 109.5° |
| C32 | C31 | C30 | 118.2° | 109.5° |
| C32 | C31 | H131 | 106.7° | 109.4° |
| C32 | C31 | H231 | 106.7° | 109.4° |
| C31 | C32 | H132 | 107.7° | 109.5° |
| C31 | C32 | H232 | 107.7° | 109.5° |
| C18 | N29 | C30 | 124.3° | 120.0° |
| C18 | N29 | HN29 | 117.8° | 120.0° |
| N29 | C30 | C31 | 122.0° | 109.5° |
| N29 | C30 | C38 | 116.8° | 109.5° |
| C30 | N29 | HN29 | 117.9° | 120.0° |
| N29 | C30 | H30 | 106.9° | 109.5° |
| C31 | C30 | C38 | 121.1° | 109.4° |
| C31 | C30 | H30 | 42.6° | 109.4° |
| C30 | C31 | H131 | 106.6° | 109.5° |
| C30 | C31 | H231 | 106.7° | 109.5° |
| C30 | C38 | N40 | 117.4° | 120.0° |
| C30 | C38 | O39 | 114.3° | 120.0° |
| C38 | C30 | H30 | 120.5° | 109.5° |
| O43 | C42 | C41 | 119.3° | 120.0° |
| O43 | C42 | N60 | 125.4° | 120.0° |
| N40 | C38 | O39 | 128.2° | 120.0° |
| C38 | N40 | C41 | 112.4° | 120.0° |
| C38 | N40 | HN40 | 123.8° | 120.0° |
| N40 | C41 | C42 | 100.1° | 109.5° |
| N40 | C41 | C44 | 122.8° | 109.5° |
| C41 | N40 | HN40 | 123.8° | 120.0° |
| N40 | C41 | H41 | 106.7° | 109.5° |
| C41 | C42 | N60 | 115.3° | 120.0° |
| C42 | C41 | C44 | 107.2° | 109.5° |
| C42 | C41 | H41 | 122.4° | 109.4° |
| C42 | N60 | C59 | 119.9° | 120.0° |
| C42 | N60 | HN60 | 120.0° | 120.0° |
| C41 | C44 | C45 | 125.2° | 109.5° |
| C44 | C41 | H41 | 99.4° | 109.4° |
| C41 | C44 | H144 | 104.5° | 109.5° |
| C41 | C44 | H244 | 104.5° | 109.5° |
| C56 | C57 | C52 | 120.0° | 120.0° |
| C57 | C56 | C55 | 120.6° | 120.0° |
| C57 | C56 | H56 | 119.7° | 119.9° |
| C56 | C57 | H57 | 120.0° | 120.0° |
| C57 | C52 | C58 | 120.5° | 120.0° |
| C57 | C52 | C53 | 119.3° | 120.0° |
| C52 | C57 | H57 | 120.0° | 120.0° |
| C44 | C45 | C47 | 125.9° | 120.0° |
| C44 | C45 | C46 | 117.3° | 120.0° |
| C45 | C44 | H144 | 104.5° | 109.4° |
| C45 | C44 | H244 | 104.6° | 109.5° |
| C59 | C58 | C52 | 119.5° | 109.5° |
| C58 | C59 | N60 | 118.9° | 109.5° |
| C59 | C58 | H58 | 106.3° | 109.5° |
| C58 | C59 | H59 | 106.4° | 109.5° |
| C59 | C58 | H58A | 106.3° | 109.5° |
| C58 | C59 | H59A | 106.5° | 109.5° |
| C58 | C52 | C53 | 120.2° | 120.0° |
| C52 | C58 | H58 | 106.2° | 109.4° |
| C52 | C58 | H58A | 106.3° | 109.4° |
| C56 | C55 | C54 | 119.9° | 120.0° |
| C56 | C55 | H55 | 120.0° | 120.0° |
| C55 | C56 | H56 | 119.7° | 120.1° |
| N60 | C59 | H59 | 106.4° | 109.5° |
| C59 | N60 | HN60 | 120.0° | 120.0° |
| N60 | C59 | H59A | 106.4° | 109.5° |
| C52 | C53 | C54 | 120.1° | 120.0° |
| C52 | C53 | H53 | 119.9° | 120.0° |
| C45 | C47 | C49 | 122.6° | 120.0° |
| C47 | C45 | C46 | 116.8° | 120.0° |
| C45 | C47 | H47 | 118.7° | 120.0° |
| C47 | C49 | C50 | 119.7° | 120.0° |
| C49 | C47 | H47 | 118.7° | 120.0° |
| C47 | C49 | H49 | 120.2° | 120.0° |
| C45 | C46 | C48 | 119.3° | 120.0° |
| C45 | C46 | H46 | 120.4° | 120.0° |
| C49 | C50 | C48 | 121.5° | 120.0° |
| C50 | C49 | H49 | 120.2° | 120.0° |
| C49 | C50 | H50 | 119.2° | 120.0° |
| C55 | C54 | C53 | 120.1° | 120.0° |
| C55 | C54 | H54 | 120.0° | 120.0° |
| C54 | C55 | H55 | 120.1° | 120.0° |
| C54 | C53 | H53 | 119.9° | 120.0° |
| C53 | C54 | H54 | 120.0° | 120.0° |
| C46 | C48 | C50 | 120.1° | 120.0° |
| C48 | C46 | H46 | 120.3° | 120.0° |
| C46 | C48 | H48 | 119.9° | 120.0° |
| C50 | C48 | H48 | 120.0° | 120.0° |
| C48 | C50 | H50 | 119.2° | 120.0° |
| H11 | C1 | H21 | 114.4° | 109.5° |
| H120 | C20 | H220 | 114.3° | 109.5° |
| H122 | C22 | H222 | 109.5° | 109.5° |
| H122 | C22 | H322 | 109.5° | 109.5° |
| H222 | C22 | H322 | 109.5° | 109.5° |
| H131 | C31 | H231 | 112.1° | 109.5° |
| H132 | C32 | H232 | 111.1° | 109.4° |
| H133 | C33 | H233 | 113.9° | 109.5° |
| H136 | N36 | H236 | 120.0° | 120.0° |
| H144 | C44 | H244 | 114.0° | 109.4° |
| H58 | C58 | H58A | 112.5° | 109.5° |
| H59 | C59 | H59A | 112.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C10 | H15 | 180.0° | 179.9° |
| C15 | C14 | C12 | H14 | 180.0° | 179.8° |
| C14 | C15 | C10 | C13 | 0.2° | 0.1° |
| C15 | C14 | C12 | C4 | 179.6° | 179.8° |
| C15 | C14 | C12 | C11 | 0.6° | 0.7° |
| C14 | C15 | C10 | H10 | 179.8° | 179.7° |
| C10 | C15 | C14 | C12 | 0.4° | 0.5° |
| C15 | C10 | C13 | H10 | 180.0° | 179.7° |
| C15 | C10 | C13 | C11 | 0.3° | 0.3° |
| C15 | C10 | C13 | H13 | 179.8° | 179.7° |
| C10 | C15 | C14 | H14 | 179.6° | 179.8° |
| C14 | C12 | C4 | C11 | 179.0° | 179.5° |
| C14 | C12 | C4 | C9 | 1.6° | 179.8° |
| C14 | C12 | C11 | C13 | 0.7° | 0.5° |
| C14 | C12 | C4 | C5 | 179.4° | 0.5° |
| C14 | C12 | C11 | H11A | 179.3° | 179.4° |
| C12 | C14 | C15 | H15 | 179.6° | 179.5° |
| C10 | C13 | C11 | C12 | 0.5° | 0.0° |
| C10 | C13 | C11 | H13 | 180.0° | 180.0° |
| C10 | C13 | C11 | H11A | 179.5° | 180.0° |
| C13 | C10 | C15 | H15 | 179.8° | 180.0° |
| C12 | C4 | C9 | C5 | 179.0° | 179.7° |
| C12 | C4 | C9 | C8 | 179.7° | 179.6° |
| C4 | C12 | C11 | C13 | 179.7° | 180.0° |
| C12 | C4 | C5 | C6 | 179.8° | 179.7° |
| C12 | C4 | C5 | H5 | 0.2° | 0.4° |
| C12 | C4 | C9 | H9 | 0.3° | 0.3° |
| C4 | C12 | C11 | H11A | 0.3° | 0.0° |
| C4 | C12 | C14 | H14 | 0.4° | 0.0° |
| C11 | C12 | C4 | C9 | 179.4° | 0.3° |
| C12 | C11 | C13 | H11A | 180.0° | 180.0° |
| C11 | C12 | C4 | C5 | 0.4° | NaN° |
| C12 | C11 | C13 | H13 | 179.5° | 180.0° |
| C11 | C12 | C14 | H14 | 179.4° | 179.5° |
| C4 | C9 | C8 | H9 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 0.5° | 0.1° |
| C9 | C4 | C5 | C6 | 0.8° | 0.0° |
| C9 | C4 | C5 | H5 | 179.2° | 180.0° |
| C4 | C9 | C8 | H8 | 179.5° | 180.0° |
| C8 | C9 | C4 | C5 | 0.7° | 0.0° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.4° | 0.0° |
| C9 | C8 | C7 | C1 | 179.9° | 180.0° |
| N37 | C35 | N36 | N34 | 179.5° | 180.0° |
| N37 | C35 | N34 | C33 | 179.5° | 0.0° |
| N37 | C35 | N34 | HN34 | 0.5° | 179.9° |
| N37 | C35 | N36 | H136 | 179.4° | 180.0° |
| N37 | C35 | N36 | H236 | 0.5° | 0.1° |
| C11 | C13 | C10 | H10 | 179.8° | 180.0° |
| C22 | SG2 | C20 | C17 | 166.0° | 180.0° |
| C22 | SG2 | C20 | H120 | 74.0° | 60.0° |
| C22 | SG2 | C20 | H220 | 46.0° | 60.0° |
| SG2 | C22 | H122 | H222 | 120.0° | 120.0° |
| SG2 | C22 | H122 | H322 | 120.0° | 120.0° |
| SG2 | C22 | H222 | H322 | 119.9° | 119.9° |
| C4 | C5 | C6 | C7 | 0.7° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.3° | 180.0° |
| C5 | C4 | C9 | H9 | 179.3° | 180.0° |
| C8 | C7 | C6 | C1 | 179.7° | 180.0° |
| C8 | C7 | C6 | C5 | 0.5° | 0.0° |
| C8 | C7 | C1 | C2 | 29.9° | 90.0° |
| C8 | C7 | C1 | H11 | 90.2° | 150.0° |
| C8 | C7 | C1 | H21 | 149.8° | 30.0° |
| C8 | C7 | C6 | H6 | 179.5° | 180.0° |
| C7 | C8 | C9 | H9 | 179.5° | 180.0° |
| N36 | C35 | N34 | C33 | 1.1° | 180.0° |
| N36 | C35 | N34 | HN34 | 178.9° | 0.0° |
| C35 | N36 | H136 | H236 | 180.0° | 180.0° |
| N36 | C35 | N37 | H137 | 179.5° | 180.0° |
| C35 | N34 | C33 | HN34 | 180.0° | 180.0° |
| C35 | N34 | C33 | C32 | 21.5° | 180.0° |
| C35 | N34 | C33 | H133 | 98.5° | 60.0° |
| C35 | N34 | C33 | H233 | 141.5° | 60.0° |
| N34 | C35 | N36 | H136 | 0.0° | 0.0° |
| N34 | C35 | N36 | H236 | 180.0° | 180.0° |
| N34 | C35 | N37 | H137 | 0.0° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C7 | C1 | C2 | 150.4° | 90.0° |
| C6 | C7 | C1 | H11 | 89.6° | 30.0° |
| C6 | C7 | C1 | H21 | 30.4° | 150.0° |
| C7 | C6 | C5 | H5 | 179.3° | 180.0° |
| C6 | C7 | C8 | H8 | 179.6° | 179.9° |
| C1 | C7 | C6 | C5 | 179.7° | 179.9° |
| C7 | C1 | C2 | O3 | 125.0° | 0.0° |
| C7 | C1 | C2 | H11 | 120.0° | 120.0° |
| C7 | C1 | C2 | H21 | 120.0° | 120.0° |
| C7 | C1 | C2 | N16 | 57.1° | 180.0° |
| C7 | C1 | H11 | H21 | 112.7° | 120.0° |
| C1 | C7 | C6 | H6 | 0.3° | 0.0° |
| C1 | C7 | C8 | H8 | 0.2° | 0.1° |
| O3 | C2 | C1 | N16 | 177.9° | 180.0° |
| O3 | C2 | N16 | C17 | 0.6° | 0.0° |
| O3 | C2 | C1 | H11 | 5.0° | 120.0° |
| O3 | C2 | C1 | H21 | 115.0° | 120.0° |
| O3 | C2 | N16 | HN16 | 179.4° | 180.0° |
| SG2 | C20 | C17 | H120 | 120.0° | 120.0° |
| SG2 | C20 | C17 | H220 | 120.0° | 120.0° |
| SG2 | C20 | C17 | N16 | 40.9° | 60.0° |
| SG2 | C20 | C17 | C18 | 148.1° | 180.0° |
| SG2 | C20 | C17 | H17 | 72.0° | 60.0° |
| SG2 | C20 | H120 | H220 | 113.0° | 120.0° |
| C20 | SG2 | C22 | H122 | 180.0° | 180.0° |
| C20 | SG2 | C22 | H222 | 60.0° | 60.0° |
| C20 | SG2 | C22 | H322 | 60.0° | 60.0° |
| C1 | C2 | N16 | C17 | 177.2° | 180.0° |
| C2 | C1 | H11 | H21 | 112.7° | 120.0° |
| C1 | C2 | N16 | HN16 | 2.8° | 0.0° |
| C2 | N16 | C17 | C20 | 92.4° | 85.0° |
| C2 | N16 | C17 | HN16 | 180.0° | 179.9° |
| C2 | N16 | C17 | C18 | 77.8° | 154.9° |
| N16 | C2 | C1 | H11 | 177.1° | 60.0° |
| N16 | C2 | C1 | H21 | 62.9° | 60.0° |
| C2 | N16 | C17 | H17 | 135.2° | 35.0° |
| C20 | C17 | N16 | C18 | 170.2° | 120.0° |
| C20 | C17 | N16 | H17 | 132.4° | 120.0° |
| C20 | C17 | C18 | H17 | 118.8° | 120.0° |
| C20 | C17 | C18 | O19 | 23.1° | 120.0° |
| C20 | C17 | C18 | N29 | 158.2° | 60.0° |
| C20 | C17 | N16 | HN16 | 87.6° | 95.0° |
| C17 | C20 | H120 | H220 | 112.9° | 120.0° |
| N34 | C33 | C32 | H133 | 120.0° | 120.0° |
| N34 | C33 | C32 | H233 | 120.0° | 120.0° |
| N34 | C33 | C32 | C31 | 179.7° | 180.0° |
| N34 | C33 | C32 | H132 | 60.3° | 60.0° |
| N34 | C33 | C32 | H232 | 59.7° | 59.9° |
| N34 | C33 | H133 | H233 | 113.5° | 120.0° |
| N16 | C17 | C18 | H17 | 71.5° | 120.0° |
| N16 | C17 | C18 | O19 | 146.5° | 0.0° |
| N16 | C17 | C18 | N29 | 32.1° | 180.0° |
| N16 | C17 | C20 | H120 | 160.9° | 60.0° |
| N16 | C17 | C20 | H220 | 79.1° | 180.0° |
| C17 | C18 | O19 | N29 | 178.9° | 179.9° |
| C17 | C18 | N29 | C30 | 178.4° | 180.0° |
| C18 | C17 | N16 | HN16 | 102.2° | 25.0° |
| C18 | C17 | C20 | H120 | 28.1° | 60.0° |
| C18 | C17 | C20 | H220 | 91.9° | 60.0° |
| C17 | C18 | N29 | HN29 | 1.6° | 0.0° |
| O19 | C18 | N29 | C30 | 0.2° | 0.1° |
| O19 | C18 | C17 | H17 | 142.0° | 120.0° |
| O19 | C18 | N29 | HN29 | 179.8° | 180.0° |
| C33 | C32 | C31 | H132 | 120.0° | 120.0° |
| C33 | C32 | C31 | H232 | 120.0° | 120.1° |
| C33 | C32 | C31 | C30 | 105.6° | 180.0° |
| C33 | C32 | C31 | H131 | 14.4° | 60.0° |
| C33 | C32 | C31 | H231 | 134.4° | 60.0° |
| C33 | C32 | H132 | H232 | 117.8° | 120.0° |
| C32 | C33 | H133 | H233 | 113.4° | 120.0° |
| C32 | C33 | N34 | HN34 | 158.5° | 0.1° |
| C32 | C31 | C30 | N29 | 57.5° | 65.0° |
| C32 | C31 | C30 | H131 | 120.0° | 120.0° |
| C32 | C31 | C30 | H231 | 120.0° | 120.0° |
| C32 | C31 | C30 | C38 | 119.6° | 175.0° |
| C32 | C31 | C30 | H30 | 137.7° | 55.0° |
| C32 | C31 | H131 | H231 | 116.4° | 120.0° |
| C31 | C32 | H132 | H232 | 117.8° | 120.0° |
| C31 | C32 | C33 | H133 | 59.6° | 60.0° |
| C31 | C32 | C33 | H233 | 60.3° | 60.0° |
| C18 | N29 | C30 | HN29 | 180.0° | 180.0° |
| C18 | N29 | C30 | C31 | 68.2° | 85.0° |
| C18 | N29 | C30 | C38 | 109.1° | 155.0° |
| N29 | C18 | C17 | H17 | 39.4° | 60.0° |
| C18 | N29 | C30 | H30 | 112.5° | 34.9° |
| N29 | C30 | C31 | C38 | 177.2° | 120.0° |
| N29 | C30 | C31 | H30 | 80.1° | 120.0° |
| N29 | C30 | C38 | H30 | 132.6° | 120.0° |
| N29 | C30 | C38 | N40 | 49.2° | 180.0° |
| N29 | C30 | C38 | O39 | 133.6° | 0.0° |
| N29 | C30 | C31 | H131 | 177.6° | 175.0° |
| N29 | C30 | C31 | H231 | 62.5° | 55.0° |
| C31 | C30 | C38 | H30 | 50.1° | 120.0° |
| C31 | C30 | C38 | N40 | 128.1° | 60.0° |
| C31 | C30 | C38 | O39 | 49.1° | 120.0° |
| C31 | C30 | N29 | HN29 | 111.7° | 95.0° |
| C30 | C31 | H131 | H231 | 116.4° | 120.0° |
| C30 | C31 | C32 | H132 | 134.4° | 60.0° |
| C30 | C31 | C32 | H232 | 14.4° | 60.0° |
| C30 | C38 | N40 | O39 | 176.8° | 179.9° |
| C30 | C38 | N40 | C41 | 175.5° | 180.0° |
| C38 | C30 | N29 | HN29 | 71.0° | 25.0° |
| C38 | C30 | C31 | H131 | 0.4° | 55.0° |
| C38 | C30 | C31 | H231 | 120.4° | 65.0° |
| C30 | C38 | N40 | HN40 | 4.5° | 0.1° |
| O43 | C42 | C41 | N40 | 43.7° | 0.1° |
| O43 | C42 | C41 | N60 | 177.7° | 179.9° |
| O43 | C42 | C41 | C44 | 85.4° | 120.0° |
| O43 | C42 | N60 | C59 | 0.2° | 0.1° |
| O43 | C42 | C41 | H41 | 161.0° | 120.1° |
| O43 | C42 | N60 | HN60 | 179.8° | 179.9° |
| C38 | N40 | C41 | HN40 | 180.0° | 180.0° |
| C38 | N40 | C41 | C42 | 77.4° | 155.0° |
| C38 | N40 | C41 | C44 | 164.4° | 85.0° |
| N40 | C38 | C30 | H30 | 178.2° | 59.9° |
| C38 | N40 | C41 | H41 | 51.0° | 35.0° |
| O39 | C38 | N40 | C41 | 1.3° | 0.0° |
| O39 | C38 | C30 | H30 | 0.9° | 120.0° |
| O39 | C38 | N40 | HN40 | 178.7° | 180.0° |
| N40 | C41 | C42 | C44 | 129.2° | 120.1° |
| N40 | C41 | C42 | H41 | 117.2° | 120.0° |
| N40 | C41 | C42 | N60 | 133.9° | 180.0° |
| N40 | C41 | C44 | H41 | 116.9° | 120.0° |
| N40 | C41 | C44 | C45 | 161.6° | 65.0° |
| N40 | C41 | C44 | H144 | 78.4° | 55.0° |
| N40 | C41 | C44 | H244 | 41.6° | 175.0° |
| C42 | C41 | C44 | H41 | 128.4° | 119.9° |
| C42 | C41 | C44 | C45 | 46.9° | 175.0° |
| C41 | C42 | N60 | C59 | 177.7° | 180.0° |
| C42 | C41 | N40 | HN40 | 102.6° | 25.0° |
| C42 | C41 | C44 | H144 | 166.9° | 65.0° |
| C42 | C41 | C44 | H244 | 73.1° | 54.9° |
| C41 | C42 | N60 | HN60 | 2.3° | 0.0° |
| N60 | C42 | C41 | C44 | 96.9° | 59.9° |
| C42 | N60 | C59 | C58 | 82.1° | 180.0° |
| C42 | N60 | C59 | HN60 | 180.0° | 180.0° |
| N60 | C42 | C41 | H41 | 16.7° | 60.0° |
| C42 | N60 | C59 | H59 | 37.9° | 60.0° |
| C42 | N60 | C59 | H59A | 157.9° | 60.0° |
| C41 | C44 | C45 | H144 | 120.0° | 120.0° |
| C41 | C44 | C45 | H244 | 120.0° | 120.1° |
| C41 | C44 | C45 | C47 | 94.5° | 90.3° |
| C41 | C44 | C45 | C46 | 84.8° | 90.0° |
| C44 | C41 | N40 | HN40 | 15.6° | 95.0° |
| C41 | C44 | H144 | H244 | 113.4° | 120.1° |
| C56 | C57 | C52 | H57 | 180.0° | 179.9° |
| C56 | C57 | C52 | C58 | 179.6° | 179.7° |
| C57 | C56 | C55 | H56 | 180.0° | 180.0° |
| C56 | C57 | C52 | C53 | 0.4° | 0.0° |
| C57 | C56 | C55 | C54 | 0.2° | 0.0° |
| C57 | C56 | C55 | H55 | 179.8° | 179.9° |
| C57 | C52 | C58 | C59 | 130.4° | 90.2° |
| C57 | C52 | C58 | C53 | 179.9° | 179.8° |
| C52 | C57 | C56 | C55 | 0.1° | 0.0° |
| C57 | C52 | C53 | C54 | 0.3° | 0.0° |
| C57 | C52 | C53 | H53 | 179.8° | 179.9° |
| C52 | C57 | C56 | H56 | 179.9° | 180.0° |
| C57 | C52 | C58 | H58 | 109.6° | 29.8° |
| C57 | C52 | C58 | H58A | 10.4° | 149.8° |
| C44 | C45 | C47 | C46 | 179.4° | 179.7° |
| C44 | C45 | C47 | C49 | 178.5° | 180.0° |
| C44 | C45 | C46 | C48 | 178.6° | 180.0° |
| C45 | C44 | C41 | H41 | 81.5° | 55.0° |
| C45 | C44 | H144 | H244 | 113.5° | 119.9° |
| C44 | C45 | C46 | H46 | 1.4° | 0.0° |
| C44 | C45 | C47 | H47 | 1.5° | 0.0° |
| C59 | C58 | C52 | H58 | 120.0° | 120.0° |
| C59 | C58 | C52 | H58A | 120.0° | 120.0° |
| C58 | C59 | N60 | H59 | 120.0° | 120.0° |
| C58 | C59 | N60 | H59A | 120.0° | 120.0° |
| C59 | C58 | C52 | C53 | 49.6° | 90.0° |
| C59 | C58 | H58 | H58A | 115.9° | 120.1° |
| C58 | C59 | H59 | H59A | 116.1° | 120.0° |
| C58 | C59 | N60 | HN60 | 97.9° | 0.0° |
| C52 | C58 | C59 | N60 | 64.9° | 180.0° |
| C58 | C52 | C53 | C54 | 179.7° | 179.7° |
| C58 | C52 | C53 | H53 | 0.3° | 0.3° |
| C58 | C52 | C57 | H57 | 0.4° | 0.2° |
| C52 | C58 | H58 | H58A | 115.9° | 119.9° |
| C52 | C58 | C59 | H59 | 175.1° | 60.0° |
| C52 | C58 | C59 | H59A | 55.1° | 60.0° |
| C56 | C55 | C54 | H55 | 180.0° | 179.9° |
| C56 | C55 | C54 | C53 | 0.3° | 0.0° |
| C56 | C55 | C54 | H54 | 179.7° | 180.0° |
| C55 | C56 | C57 | H57 | 179.9° | 179.9° |
| N60 | C59 | C58 | H58 | 175.1° | 60.0° |
| N60 | C59 | H59 | H59A | 116.1° | 120.0° |
| N60 | C59 | C58 | H58A | 55.1° | 60.0° |
| C52 | C53 | C54 | C55 | 0.0° | 0.0° |
| C52 | C53 | C54 | H53 | 180.0° | 179.9° |
| C52 | C53 | C54 | H54 | 179.9° | 180.0° |
| C53 | C52 | C57 | H57 | 179.6° | 179.9° |
| C53 | C52 | C58 | H58 | 70.4° | 150.0° |
| C53 | C52 | C58 | H58A | 169.6° | 30.0° |
| C45 | C47 | C49 | H47 | 180.0° | 179.9° |
| C45 | C47 | C49 | C50 | 0.4° | 0.1° |
| C47 | C45 | C46 | C48 | 0.8° | 0.3° |
| C47 | C45 | C44 | H144 | 145.5° | 149.7° |
| C47 | C45 | C44 | H244 | 25.5° | 29.8° |
| C47 | C45 | C46 | H46 | 179.2° | 179.7° |
| C45 | C47 | C49 | H49 | 179.5° | 180.0° |
| C49 | C47 | C45 | C46 | 0.9° | 0.4° |
| C47 | C49 | C50 | H49 | 180.0° | 180.0° |
| C47 | C49 | C50 | C48 | 0.1° | 0.3° |
| C47 | C49 | C50 | H50 | 179.9° | 179.9° |
| C45 | C46 | C48 | H46 | 180.0° | 180.0° |
| C45 | C46 | C48 | C50 | 0.3° | 0.1° |
| C46 | C45 | C44 | H144 | 35.1° | 30.0° |
| C46 | C45 | C44 | H244 | 155.2° | 149.9° |
| C46 | C45 | C47 | H47 | 179.1° | 179.7° |
| C45 | C46 | C48 | H48 | 179.7° | 179.9° |
| C49 | C50 | C48 | C46 | 0.2° | 0.4° |
| C49 | C50 | C48 | H50 | 180.0° | 179.6° |
| C50 | C49 | C47 | H47 | 179.6° | 180.0° |
| C49 | C50 | C48 | H48 | 179.8° | 179.7° |
| C55 | C54 | C53 | H54 | 180.0° | 180.0° |
| C55 | C54 | C53 | H53 | 179.9° | 180.0° |
| C54 | C55 | C56 | H56 | 179.8° | 180.0° |
| C53 | C54 | C55 | H55 | 179.7° | 179.9° |
| C46 | C48 | C50 | H48 | 180.0° | 179.9° |
| C46 | C48 | C50 | H50 | 179.8° | 180.0° |
| C50 | C48 | C46 | H46 | 179.7° | 179.9° |
| C48 | C50 | C49 | H49 | 179.9° | 179.7° |
| H5 | C5 | C6 | H6 | 0.7° | 0.1° |
| H8 | C8 | C9 | H9 | 0.5° | 0.1° |
| H10 | C10 | C13 | H13 | 0.2° | 0.0° |
| H10 | C10 | C15 | H15 | 0.2° | 0.3° |
| H11A | C11 | C13 | H13 | 0.5° | 0.1° |
| H14 | C14 | C15 | H15 | 0.4° | 0.3° |
| HN16 | N16 | C17 | H17 | 44.8° | 145.0° |
| H17 | C17 | C20 | H120 | 48.0° | 180.0° |
| H17 | C17 | C20 | H220 | 168.0° | 60.0° |
| H122 | C22 | H222 | H322 | 120.0° | 120.1° |
| HN29 | N29 | C30 | H30 | 67.5° | 145.0° |
| H30 | C30 | C31 | H131 | 102.3° | 65.0° |
| H30 | C30 | C31 | H231 | 17.7° | 175.0° |
| H131 | C31 | C32 | H132 | 105.6° | 180.0° |
| H131 | C31 | C32 | H232 | 134.4° | 60.0° |
| H231 | C31 | C32 | H132 | 14.4° | 60.0° |
| H231 | C31 | C32 | H232 | 105.6° | 180.0° |
| H132 | C32 | C33 | H133 | 179.7° | 180.0° |
| H132 | C32 | C33 | H233 | 59.7° | 60.0° |
| H232 | C32 | C33 | H133 | 60.4° | 60.0° |
| H232 | C32 | C33 | H233 | 179.7° | 179.9° |
| H133 | C33 | N34 | HN34 | 81.5° | 120.0° |
| H233 | C33 | N34 | HN34 | 38.5° | 120.0° |
| HN40 | N40 | C41 | H41 | 129.0° | 145.0° |
| H41 | C41 | C44 | H144 | 38.5° | 175.0° |
| H41 | C41 | C44 | H244 | 158.5° | 65.0° |
| H46 | C46 | C48 | H48 | 0.3° | 0.0° |
| H47 | C47 | C49 | H49 | 0.5° | 0.0° |
| H48 | C48 | C50 | H50 | 0.2° | 0.1° |
| H49 | C49 | C50 | H50 | 0.1° | 0.0° |
| H53 | C53 | C54 | H54 | 0.1° | 0.1° |
| H54 | C54 | C55 | H55 | 0.3° | 0.1° |
| H55 | C55 | C56 | H56 | 0.2° | 0.1° |
| H56 | C56 | C57 | H57 | 0.1° | 0.1° |
| H58 | C58 | C59 | H59 | 55.1° | 180.0° |
| H58 | C58 | C59 | H59A | 64.9° | 60.0° |
| H59 | C59 | N60 | HN60 | 142.1° | 120.0° |
| H59 | C59 | C58 | H58A | 64.9° | 60.0° |
| HN60 | N60 | C59 | H59A | 22.1° | 120.0° |
| H58A | C58 | C59 | H59A | 175.1° | 179.9° |
