0CB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| C13 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| N24 | C22 | doub | 1.30Å | 1.27Å | |
| C1 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.36Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.39Å | Aromatic |
| C15 | C22 | sing | 1.48Å | 1.48Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | N26 | sing | 1.38Å | 1.34Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | C28 | sing | 1.51Å | 1.52Å | |
| O38 | S32 | doub | 1.42Å | 1.43Å | |
| C28 | N30 | sing | 1.47Å | 1.45Å | |
| C42 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
| O36 | S32 | doub | 1.42Å | 1.44Å | |
| N30 | S32 | sing | 1.66Å | 1.54Å | |
| N30 | C40 | sing | 1.40Å | 1.39Å | |
| S32 | C34 | sing | 1.81Å | 1.66Å | |
| C43 | C44 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | C46 | doub | 1.39Å | 1.40Å | Aromatic |
| O54 | C53 | doub | 1.21Å | 1.26Å | |
| C66 | C67 | sing | 1.53Å | 1.52Å | |
| C66 | N65 | sing | 1.47Å | 1.45Å | |
| C53 | O57 | sing | 1.34Å | 1.25Å | |
| C53 | C34 | sing | 1.51Å | 1.51Å | |
| C44 | O59 | sing | 1.36Å | 1.36Å | |
| C44 | C45 | doub | 1.39Å | 1.39Å | Aromatic |
| C46 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| C76 | C74 | sing | 1.51Å | 1.50Å | |
| O59 | C61 | sing | 1.43Å | 1.41Å | |
| C67 | C61 | sing | 1.53Å | 1.52Å | |
| N65 | C74 | sing | 1.37Å | 1.34Å | |
| N65 | C64 | sing | 1.47Å | 1.46Å | |
| C74 | N82 | doub | 1.29Å | 1.26Å | |
| C64 | C63 | sing | 1.53Å | 1.52Å | |
| C61 | C63 | sing | 1.53Å | 1.53Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C34 | H7 | sing | 1.09Å | 1.10Å | |
| C34 | H8 | sing | 1.09Å | 1.10Å | |
| O57 | H9 | sing | 0.97Å | 0.95Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| N26 | H12 | sing | 0.97Å | 1.00Å | |
| N26 | H13 | sing | 0.97Å | 1.00Å | |
| N24 | H14 | sing | 0.97Å | 1.00Å | |
| C46 | H15 | sing | 1.08Å | 1.08Å | |
| C45 | H16 | sing | 1.08Å | 1.08Å | |
| C43 | H17 | sing | 1.08Å | 1.08Å | |
| C42 | H18 | sing | 1.08Å | 1.08Å | |
| C61 | H19 | sing | 1.09Å | 1.10Å | |
| C67 | H20 | sing | 1.09Å | 1.10Å | |
| C67 | H21 | sing | 1.09Å | 1.10Å | |
| C66 | H22 | sing | 1.09Å | 1.10Å | |
| C66 | H23 | sing | 1.09Å | 1.10Å | |
| C76 | H24 | sing | 1.09Å | 1.10Å | |
| C76 | H25 | sing | 1.09Å | 1.10Å | |
| C76 | H26 | sing | 1.09Å | 1.10Å | |
| N82 | H27 | sing | 0.97Å | 1.00Å | |
| C64 | H28 | sing | 1.09Å | 1.10Å | |
| C64 | H29 | sing | 1.09Å | 1.10Å | |
| C63 | H30 | sing | 1.09Å | 1.10Å | |
| C63 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C6 | 119.4° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.9° |
| C14 | C13 | H1 | 120.3° | 120.0° |
| C13 | C14 | H2 | 120.1° | 119.6° |
| C13 | C6 | C1 | 119.6° | 121.1° |
| C13 | C6 | C5 | 120.5° | 119.6° |
| C6 | C13 | H1 | 120.3° | 120.0° |
| C14 | C15 | C22 | 120.3° | 119.7° |
| C14 | C15 | C16 | 120.9° | 120.5° |
| C15 | C14 | H2 | 120.2° | 119.6° |
| N24 | C22 | C15 | 119.8° | 120.0° |
| N24 | C22 | N26 | 121.7° | 120.0° |
| C22 | N24 | H14 | 112.0° | 120.0° |
| C6 | C1 | C2 | 120.1° | 119.8° |
| C1 | C6 | C5 | 119.8° | 119.3° |
| C6 | C1 | H4 | 119.9° | 120.1° |
| C1 | C2 | C3 | 119.9° | 121.0° |
| C2 | C1 | H4 | 120.0° | 120.2° |
| C1 | C2 | H5 | 120.1° | 119.5° |
| C6 | C5 | C16 | 120.4° | 119.5° |
| C6 | C5 | C4 | 120.1° | 119.3° |
| C22 | C15 | C16 | 118.8° | 119.8° |
| C15 | C22 | N26 | 118.5° | 120.1° |
| C15 | C16 | C5 | 119.1° | 119.5° |
| C15 | C16 | H3 | 120.5° | 120.2° |
| C22 | N26 | H12 | 120.0° | 120.0° |
| C22 | N26 | H13 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.3° | 121.0° |
| C2 | C3 | C28 | 120.9° | 119.5° |
| C3 | C2 | H5 | 120.0° | 119.5° |
| C16 | C5 | C4 | 119.5° | 121.2° |
| C5 | C16 | H3 | 120.4° | 120.3° |
| C5 | C4 | C3 | 119.8° | 119.7° |
| C5 | C4 | H6 | 120.1° | 120.1° |
| C4 | C3 | C28 | 118.8° | 119.5° |
| C3 | C4 | H6 | 120.1° | 120.2° |
| C3 | C28 | N30 | 113.5° | 109.5° |
| C3 | C28 | H10 | 108.4° | 109.5° |
| C3 | C28 | H11 | 108.4° | 109.5° |
| O38 | S32 | O36 | 109.1° | 121.1° |
| O38 | S32 | N30 | 110.4° | 104.3° |
| O38 | S32 | C34 | 111.3° | 110.5° |
| C28 | N30 | S32 | 121.5° | 120.0° |
| C28 | N30 | C40 | 119.7° | 120.0° |
| N30 | C28 | H10 | 108.4° | 109.5° |
| N30 | C28 | H11 | 108.5° | 109.4° |
| C43 | C42 | C40 | 119.7° | 120.0° |
| C42 | C43 | C44 | 119.9° | 120.0° |
| C42 | C43 | H17 | 120.1° | 120.0° |
| C43 | C42 | H18 | 120.2° | 120.0° |
| C42 | C40 | N30 | 119.9° | 120.0° |
| C42 | C40 | C46 | 120.8° | 120.0° |
| C40 | C42 | H18 | 120.2° | 120.0° |
| O36 | S32 | N30 | 110.9° | 104.3° |
| O36 | S32 | C34 | 109.0° | 110.5° |
| S32 | N30 | C40 | 118.5° | 120.0° |
| N30 | S32 | C34 | 106.1° | 104.5° |
| N30 | C40 | C46 | 119.3° | 120.0° |
| S32 | C34 | C53 | 109.8° | 109.5° |
| S32 | C34 | H7 | 109.4° | 109.5° |
| S32 | C34 | H8 | 109.4° | 109.4° |
| C43 | C44 | O59 | 117.2° | 120.0° |
| C43 | C44 | C45 | 120.9° | 120.0° |
| C44 | C43 | H17 | 120.0° | 120.0° |
| C40 | C46 | C45 | 119.5° | 120.0° |
| C40 | C46 | H15 | 120.3° | 120.0° |
| O54 | C53 | O57 | 123.5° | 120.0° |
| O54 | C53 | C34 | 118.2° | 120.0° |
| C67 | C66 | N65 | 106.5° | 108.8° |
| C66 | C67 | C61 | 113.1° | 109.3° |
| C66 | C67 | H20 | 108.5° | 109.5° |
| C66 | C67 | H21 | 108.6° | 109.5° |
| C67 | C66 | H22 | 110.2° | 109.6° |
| C67 | C66 | H23 | 110.2° | 109.6° |
| C66 | N65 | C74 | 123.6° | 120.6° |
| C66 | N65 | C64 | 113.6° | 118.7° |
| N65 | C66 | H22 | 110.2° | 109.6° |
| N65 | C66 | H23 | 110.2° | 109.6° |
| O57 | C53 | C34 | 118.3° | 120.0° |
| C53 | O57 | H9 | 109.5° | 117.0° |
| C53 | C34 | H7 | 109.4° | 109.5° |
| C53 | C34 | H8 | 109.4° | 109.5° |
| O59 | C44 | C45 | 121.9° | 120.0° |
| C44 | O59 | C61 | 121.4° | 117.0° |
| C44 | C45 | C46 | 119.3° | 120.0° |
| C44 | C45 | H16 | 120.3° | 120.0° |
| C45 | C46 | H15 | 120.2° | 120.0° |
| C46 | C45 | H16 | 120.4° | 120.0° |
| C76 | C74 | N65 | 120.7° | 120.0° |
| C76 | C74 | N82 | 116.7° | 120.0° |
| C74 | C76 | H24 | 109.5° | 109.5° |
| C74 | C76 | H25 | 109.5° | 109.5° |
| C74 | C76 | H26 | 109.5° | 109.5° |
| O59 | C61 | C67 | 107.5° | 109.4° |
| O59 | C61 | C63 | 106.8° | 109.5° |
| O59 | C61 | H19 | 111.6° | 109.4° |
| C67 | C61 | C63 | 111.1° | 109.6° |
| C67 | C61 | H19 | 109.9° | 109.5° |
| C61 | C67 | H20 | 108.6° | 109.5° |
| C61 | C67 | H21 | 108.6° | 109.5° |
| C74 | N65 | C64 | 122.8° | 120.7° |
| N65 | C74 | N82 | 122.6° | 120.1° |
| N65 | C64 | C63 | 105.4° | 108.8° |
| N65 | C64 | H28 | 110.5° | 109.6° |
| N65 | C64 | H29 | 110.5° | 109.6° |
| C74 | N82 | H27 | 112.0° | 119.9° |
| C64 | C63 | C61 | 113.3° | 109.3° |
| C63 | C64 | H28 | 110.5° | 109.6° |
| C63 | C64 | H29 | 110.5° | 109.6° |
| C64 | C63 | H30 | 108.5° | 109.5° |
| C64 | C63 | H31 | 108.5° | 109.5° |
| C63 | C61 | H19 | 109.8° | 109.5° |
| C61 | C63 | H30 | 108.5° | 109.5° |
| C61 | C63 | H31 | 108.5° | 109.5° |
| H7 | C34 | H8 | 109.5° | 109.4° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H12 | N26 | H13 | 120.0° | 120.0° |
| H20 | C67 | H21 | 109.5° | 109.5° |
| H22 | C66 | H23 | 109.5° | 109.7° |
| H24 | C76 | H25 | 109.5° | 109.5° |
| H24 | C76 | H26 | 109.5° | 109.4° |
| H25 | C76 | H26 | 109.5° | 109.4° |
| H28 | C64 | H29 | 109.5° | 109.7° |
| H30 | C63 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C6 | H1 | 180.0° | 179.8° |
| C13 | C14 | C15 | H2 | 180.0° | 180.0° |
| C14 | C13 | C6 | C1 | 178.8° | 180.0° |
| C14 | C13 | C6 | C5 | 1.3° | 0.0° |
| C13 | C14 | C15 | C22 | 179.7° | 180.0° |
| C13 | C14 | C15 | C16 | 2.1° | 0.0° |
| C6 | C13 | C14 | C15 | 2.2° | 0.0° |
| C13 | C6 | C1 | C5 | 179.9° | 180.0° |
| C13 | C6 | C1 | C2 | 179.9° | 180.0° |
| C13 | C6 | C5 | C16 | 0.3° | 0.0° |
| C13 | C6 | C5 | C4 | 179.7° | 180.0° |
| C6 | C13 | C14 | H2 | 177.8° | 180.0° |
| C13 | C6 | C1 | H4 | 0.1° | 0.0° |
| C14 | C15 | C22 | N24 | 9.2° | 180.0° |
| C14 | C15 | C22 | C16 | 178.3° | 180.0° |
| C14 | C15 | C22 | N26 | 169.1° | 0.0° |
| C14 | C15 | C16 | C5 | 1.0° | 0.0° |
| C15 | C14 | C13 | H1 | 177.8° | 179.8° |
| C14 | C15 | C16 | H3 | 179.0° | 180.0° |
| N24 | C22 | C15 | N26 | 178.3° | 180.0° |
| N24 | C22 | C15 | C16 | 172.5° | 0.0° |
| N24 | C22 | N26 | H12 | 178.3° | 180.0° |
| N24 | C22 | N26 | H13 | 1.7° | 0.0° |
| C6 | C1 | C2 | H4 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 1.0° | 0.0° |
| C1 | C6 | C5 | C16 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C1 | C6 | C13 | H1 | 1.2° | 0.3° |
| C6 | C1 | C2 | H5 | 179.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C1 | C2 | C3 | H5 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.3° | 0.0° |
| C1 | C2 | C3 | C28 | 178.8° | 180.0° |
| C6 | C5 | C16 | C15 | 0.2° | 0.0° |
| C6 | C5 | C16 | C4 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.1° | 0.1° |
| C5 | C6 | C13 | H1 | 178.7° | 179.8° |
| C6 | C5 | C16 | H3 | 179.8° | 180.0° |
| C5 | C6 | C1 | H4 | 179.8° | 179.9° |
| C6 | C5 | C4 | H6 | 179.8° | 179.9° |
| C22 | C15 | C16 | C5 | 179.3° | 180.0° |
| C22 | C15 | C14 | H2 | 0.3° | 0.0° |
| C22 | C15 | C16 | H3 | 0.7° | 0.0° |
| C15 | C22 | N26 | H12 | 0.0° | 0.0° |
| C15 | C22 | N26 | H13 | 180.0° | 180.0° |
| C15 | C22 | N24 | H14 | 178.2° | 180.0° |
| C16 | C15 | C22 | N26 | 9.2° | 180.0° |
| C15 | C16 | C5 | H3 | 180.0° | 180.0° |
| C15 | C16 | C5 | C4 | 179.9° | 180.0° |
| C16 | C15 | C14 | H2 | 177.9° | 180.0° |
| C22 | N26 | H12 | H13 | 180.0° | 180.0° |
| N26 | C22 | N24 | H14 | 0.0° | 0.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C2 | C3 | C4 | C28 | 177.6° | 180.0° |
| C2 | C3 | C28 | N30 | 42.6° | 96.1° |
| C3 | C2 | C1 | H4 | 179.0° | 180.0° |
| C2 | C3 | C4 | H6 | 179.1° | 179.9° |
| C2 | C3 | C28 | H10 | 163.1° | 143.8° |
| C2 | C3 | C28 | H11 | 78.0° | 23.8° |
| C16 | C5 | C4 | C3 | 179.9° | 180.0° |
| C16 | C5 | C4 | H6 | 0.1° | 0.0° |
| C5 | C4 | C3 | H6 | 180.0° | 180.0° |
| C5 | C4 | C3 | C28 | 178.4° | 180.0° |
| C4 | C5 | C16 | H3 | 0.1° | 0.1° |
| C4 | C3 | C28 | N30 | 139.8° | 83.9° |
| C4 | C3 | C2 | H5 | 178.7° | 180.0° |
| C4 | C3 | C28 | H10 | 19.3° | 36.1° |
| C4 | C3 | C28 | H11 | 99.5° | 156.1° |
| C3 | C28 | N30 | H10 | 120.6° | 120.0° |
| C3 | C28 | N30 | H11 | 120.6° | 120.0° |
| C3 | C28 | N30 | S32 | 125.5° | 94.4° |
| C3 | C28 | N30 | C40 | 59.8° | 85.7° |
| C28 | C3 | C2 | H5 | 1.2° | 0.0° |
| C28 | C3 | C4 | H6 | 1.5° | 0.1° |
| C3 | C28 | H10 | H11 | 118.1° | 120.0° |
| O38 | S32 | N30 | C28 | 32.8° | 157.9° |
| O38 | S32 | O36 | N30 | 121.8° | 116.8° |
| O38 | S32 | O36 | C34 | 121.7° | 131.5° |
| O38 | S32 | N30 | C34 | 120.7° | 116.1° |
| O38 | S32 | N30 | C40 | 152.5° | 22.1° |
| O38 | S32 | C34 | C53 | 34.4° | 60.0° |
| O38 | S32 | C34 | H7 | 154.4° | 180.0° |
| O38 | S32 | C34 | H8 | 85.7° | 60.0° |
| C28 | N30 | C40 | C42 | 114.4° | 26.3° |
| C28 | N30 | S32 | O36 | 153.8° | 30.0° |
| C28 | N30 | S32 | C40 | 174.8° | 180.0° |
| C28 | N30 | S32 | C34 | 88.0° | 86.1° |
| C28 | N30 | C40 | C46 | 65.8° | 153.4° |
| N30 | C28 | H10 | H11 | 118.2° | 119.9° |
| C43 | C42 | C40 | H18 | 180.0° | 179.4° |
| C43 | C42 | C40 | N30 | 179.0° | 179.7° |
| C42 | C43 | C44 | H17 | 180.0° | 179.8° |
| C43 | C42 | C40 | C46 | 0.9° | 0.6° |
| C42 | C43 | C44 | O59 | 179.8° | 179.7° |
| C42 | C43 | C44 | C45 | 0.2° | 0.2° |
| C42 | C40 | N30 | S32 | 70.7° | 153.7° |
| C42 | C40 | N30 | C46 | 179.8° | 179.7° |
| C40 | C42 | C43 | C44 | 0.3° | 0.5° |
| C42 | C40 | C46 | C45 | 0.9° | 0.3° |
| C42 | C40 | C46 | H15 | 179.1° | 179.7° |
| C40 | C42 | C43 | H17 | 179.7° | 179.7° |
| O36 | S32 | N30 | C34 | 118.2° | 116.0° |
| O36 | S32 | N30 | C40 | 31.4° | 150.0° |
| O36 | S32 | C34 | C53 | 86.0° | 76.8° |
| O36 | S32 | C34 | H7 | 34.0° | 43.3° |
| O36 | S32 | C34 | H8 | 153.9° | 163.2° |
| S32 | N30 | C40 | C46 | 109.1° | 26.6° |
| N30 | S32 | C34 | C53 | 154.5° | 171.6° |
| N30 | S32 | C34 | H7 | 85.5° | 68.3° |
| N30 | S32 | C34 | H8 | 34.4° | 51.6° |
| S32 | N30 | C28 | H10 | 114.0° | 145.6° |
| S32 | N30 | C28 | H11 | 4.9° | 25.6° |
| C40 | N30 | S32 | C34 | 86.8° | 94.0° |
| N30 | C40 | C46 | C45 | 179.0° | 180.0° |
| C40 | N30 | C28 | H10 | 60.8° | 34.4° |
| C40 | N30 | C28 | H11 | 179.6° | 154.4° |
| N30 | C40 | C46 | H15 | 1.0° | 0.0° |
| N30 | C40 | C42 | H18 | 1.0° | 0.3° |
| S32 | C34 | C53 | O54 | 74.3° | 0.0° |
| S32 | C34 | C53 | O57 | 105.2° | 180.0° |
| S32 | C34 | C53 | H7 | 120.0° | 120.0° |
| S32 | C34 | C53 | H8 | 120.1° | 120.0° |
| S32 | C34 | H7 | H8 | 119.8° | 119.9° |
| C43 | C44 | O59 | C45 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.2° | 0.0° |
| C43 | C44 | O59 | C61 | 156.4° | 3.0° |
| C43 | C44 | C45 | H16 | 179.8° | 180.0° |
| C44 | C43 | C42 | H18 | 179.7° | 180.0° |
| C40 | C46 | C45 | C44 | 0.3° | 0.0° |
| C40 | C46 | C45 | H15 | 180.0° | 180.0° |
| C40 | C46 | C45 | H16 | 179.6° | 180.0° |
| C46 | C40 | C42 | H18 | 179.1° | 180.0° |
| O54 | C53 | O57 | C34 | 179.5° | 180.0° |
| O54 | C53 | C34 | H7 | 45.7° | 120.1° |
| O54 | C53 | C34 | H8 | 165.6° | 120.0° |
| O54 | C53 | O57 | H9 | 0.0° | 0.0° |
| C67 | C66 | N65 | H22 | 119.5° | 119.8° |
| C67 | C66 | N65 | H23 | 119.5° | 119.8° |
| C66 | C67 | C61 | O59 | 69.4° | 178.6° |
| C66 | C67 | C61 | H20 | 120.5° | 120.0° |
| C66 | C67 | C61 | H21 | 120.6° | 119.9° |
| C67 | C66 | N65 | C74 | 114.2° | 126.4° |
| C67 | C66 | N65 | C64 | 67.0° | 53.6° |
| C66 | C67 | C61 | C63 | 47.1° | 61.4° |
| C66 | C67 | C61 | H19 | 168.9° | 58.7° |
| C66 | C67 | H20 | H21 | 118.3° | 120.1° |
| C67 | C66 | H22 | H23 | 121.4° | 120.4° |
| C66 | N65 | C74 | C76 | 1.7° | 174.9° |
| N65 | C66 | C67 | C61 | 54.4° | 54.7° |
| C66 | N65 | C74 | C64 | 178.7° | 180.0° |
| C66 | N65 | C74 | N82 | 179.8° | 5.1° |
| C66 | N65 | C64 | C63 | 67.3° | 53.6° |
| N65 | C66 | C67 | H20 | 66.1° | 65.3° |
| N65 | C66 | C67 | H21 | 175.0° | 174.6° |
| N65 | C66 | H22 | H23 | 121.4° | 120.4° |
| C66 | N65 | C64 | H28 | 52.1° | 173.4° |
| C66 | N65 | C64 | H29 | 173.3° | 66.2° |
| O57 | C53 | C34 | H7 | 134.7° | 60.0° |
| O57 | C53 | C34 | H8 | 14.8° | 60.0° |
| C53 | C34 | H7 | H8 | 119.9° | 120.0° |
| C34 | C53 | O57 | H9 | 179.5° | 180.0° |
| O59 | C44 | C45 | C46 | 179.8° | 180.0° |
| C44 | O59 | C61 | C67 | 86.5° | 84.0° |
| C44 | O59 | C61 | C63 | 154.2° | 155.9° |
| O59 | C44 | C45 | H16 | 0.2° | 0.0° |
| O59 | C44 | C43 | H17 | 0.2° | 0.1° |
| C44 | O59 | C61 | H19 | 34.1° | 35.9° |
| C44 | C45 | C46 | H16 | 180.0° | 180.0° |
| C45 | C44 | O59 | C61 | 23.6° | 177.0° |
| C44 | C45 | C46 | H15 | 179.7° | 180.0° |
| C45 | C44 | C43 | H17 | 179.8° | 180.0° |
| C76 | C74 | N65 | N82 | 178.6° | 180.0° |
| C76 | C74 | N65 | C64 | 179.7° | 5.1° |
| C74 | C76 | H24 | H25 | 120.0° | 120.0° |
| C74 | C76 | H24 | H26 | 120.0° | 120.0° |
| C74 | C76 | H25 | H26 | 120.0° | 120.0° |
| C76 | C74 | N82 | H27 | 178.6° | 173.5° |
| O59 | C61 | C67 | C63 | 116.5° | 120.0° |
| O59 | C61 | C67 | H19 | 121.7° | 119.9° |
| O59 | C61 | C63 | C64 | 68.9° | 178.6° |
| O59 | C61 | C63 | H19 | 121.2° | 120.0° |
| O59 | C61 | C67 | H20 | 170.1° | 61.5° |
| O59 | C61 | C67 | H21 | 51.1° | 58.6° |
| O59 | C61 | C63 | H30 | 51.7° | 58.7° |
| O59 | C61 | C63 | H31 | 170.6° | 61.4° |
| C67 | C61 | C63 | C64 | 48.1° | 61.4° |
| C67 | C61 | C63 | H19 | 121.8° | 120.1° |
| C61 | C67 | H20 | H21 | 118.4° | 120.1° |
| C61 | C67 | C66 | H22 | 65.1° | 174.4° |
| C61 | C67 | C66 | H23 | 174.0° | 65.2° |
| C67 | C61 | C63 | H30 | 168.6° | 178.6° |
| C67 | C61 | C63 | H31 | 72.5° | 58.6° |
| C74 | N65 | C64 | C63 | 113.9° | 126.4° |
| C74 | N65 | C66 | H22 | 126.2° | 6.6° |
| C74 | N65 | C66 | H23 | 5.3° | 113.8° |
| N65 | C74 | C76 | H24 | 180.0° | 90.0° |
| N65 | C74 | C76 | H25 | 60.0° | 150.0° |
| N65 | C74 | C76 | H26 | 60.0° | 30.0° |
| N65 | C74 | N82 | H27 | 0.0° | 6.5° |
| C74 | N65 | C64 | H28 | 126.7° | 6.6° |
| C74 | N65 | C64 | H29 | 5.5° | 113.8° |
| C64 | N65 | C74 | N82 | 1.1° | 174.9° |
| N65 | C64 | C63 | H28 | 119.4° | 119.8° |
| N65 | C64 | C63 | H29 | 119.3° | 119.8° |
| N65 | C64 | C63 | C61 | 55.6° | 54.6° |
| C64 | N65 | C66 | H22 | 52.5° | 173.4° |
| C64 | N65 | C66 | H23 | 173.5° | 66.2° |
| N65 | C64 | H28 | H29 | 121.8° | 120.3° |
| N65 | C64 | C63 | H30 | 176.2° | 174.6° |
| N65 | C64 | C63 | H31 | 64.9° | 65.3° |
| N82 | C74 | C76 | H24 | 1.3° | 90.0° |
| N82 | C74 | C76 | H25 | 121.3° | 30.0° |
| N82 | C74 | C76 | H26 | 118.7° | 150.0° |
| C64 | C63 | C61 | H30 | 120.5° | 120.0° |
| C64 | C63 | C61 | H31 | 120.6° | 120.0° |
| C64 | C63 | C61 | H19 | 169.9° | 58.7° |
| C63 | C64 | H28 | H29 | 121.9° | 120.4° |
| C64 | C63 | H30 | H31 | 118.3° | 120.1° |
| C63 | C61 | C67 | H20 | 73.4° | 58.6° |
| C63 | C61 | C67 | H21 | 167.7° | 178.7° |
| C61 | C63 | C64 | H28 | 63.7° | 174.4° |
| C61 | C63 | C64 | H29 | 175.0° | 65.1° |
| C61 | C63 | H30 | H31 | 118.3° | 120.1° |
| H1 | C13 | C14 | H2 | 2.2° | 0.2° |
| H4 | C1 | C2 | H5 | 1.0° | 0.0° |
| H15 | C46 | C45 | H16 | 0.3° | 0.0° |
| H17 | C43 | C42 | H18 | 0.3° | 0.2° |
| H19 | C61 | C67 | H20 | 48.4° | 178.6° |
| H19 | C61 | C67 | H21 | 70.5° | 61.3° |
| H19 | C61 | C63 | H30 | 69.5° | 61.3° |
| H19 | C61 | C63 | H31 | 49.4° | 178.6° |
| H20 | C67 | C66 | H22 | 174.3° | 54.5° |
| H20 | C67 | C66 | H23 | 53.4° | 174.9° |
| H21 | C67 | C66 | H22 | 55.4° | 65.6° |
| H21 | C67 | C66 | H23 | 65.5° | 54.8° |
| H24 | C76 | H25 | H26 | 120.0° | 119.9° |
| H28 | C64 | C63 | H30 | 56.8° | 65.6° |
| H28 | C64 | C63 | H31 | 175.7° | 54.5° |
| H29 | C64 | C63 | H30 | 64.5° | 54.9° |
| H29 | C64 | C63 | H31 | 54.4° | 174.9° |
