A1D6Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | O37 | sing | 1.45Å | 1.43Å | |
| O37 | C35 | sing | 1.34Å | 1.37Å | |
| O33 | C32 | doub | 1.21Å | 1.23Å | |
| C35 | C34 | sing | 1.51Å | 1.54Å | |
| C35 | O36 | doub | 1.21Å | 1.22Å | |
| C32 | C34 | sing | 1.51Å | 1.52Å | |
| C32 | N29 | sing | 1.35Å | 1.37Å | |
| C28 | N29 | sing | 1.47Å | 1.46Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| N29 | C30 | sing | 1.47Å | 1.44Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.57Å | |
| C26 | C31 | sing | 1.53Å | 1.57Å | |
| C26 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| F24 | C23 | sing | 1.35Å | 1.33Å | |
| C23 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C19 | sing | 1.40Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.47Å | 1.47Å | |
| C19 | F25 | sing | 1.35Å | 1.33Å | |
| O18 | C16 | doub | 1.22Å | 1.21Å | |
| C16 | N15 | sing | 1.35Å | 1.38Å | |
| O43 | S39 | doub | 1.42Å | 1.43Å | |
| N15 | C11 | sing | 1.40Å | 1.39Å | |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| C04 | N03 | sing | 1.47Å | 1.46Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | doub | 1.36Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.42Å | 1.41Å | Aromatic |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | S39 | sing | 1.81Å | 1.74Å | |
| C12 | N13 | sing | 1.36Å | 1.40Å | Aromatic |
| O09 | C08 | doub | 1.22Å | 1.26Å | |
| S39 | N03 | sing | 1.66Å | 1.57Å | |
| S39 | O42 | doub | 1.42Å | 1.41Å | |
| N03 | C02 | sing | 1.47Å | 1.48Å | |
| C10 | C08 | sing | 1.48Å | 1.46Å | |
| C10 | N14 | doub | 1.32Å | 1.36Å | Aromatic |
| C08 | N07 | sing | 1.35Å | 1.34Å | |
| N13 | N14 | sing | 1.28Å | 1.37Å | Aromatic |
| C06 | N07 | sing | 1.47Å | 1.43Å | |
| C06 | C01 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.49Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C41 | H29 | sing | 1.09Å | 1.10Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| N07 | H32 | sing | 0.97Å | 1.00Å | |
| N13 | H33 | sing | 0.97Å | 1.00Å | |
| N15 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | O37 | C35 | 118.1° | 117.0° |
| O37 | C38 | H24 | 109.5° | 109.5° |
| O37 | C38 | H25 | 109.4° | 109.4° |
| O37 | C38 | H26 | 109.5° | 109.5° |
| O37 | C35 | C34 | 112.6° | 120.0° |
| O37 | C35 | O36 | 118.4° | 120.0° |
| O33 | C32 | C34 | 119.4° | 120.0° |
| O33 | C32 | N29 | 117.8° | 120.0° |
| C34 | C35 | O36 | 129.0° | 120.0° |
| C35 | C34 | C32 | 108.0° | 109.5° |
| C35 | C34 | H22 | 109.8° | 109.5° |
| C35 | C34 | H23 | 109.8° | 109.5° |
| C34 | C32 | N29 | 122.8° | 120.0° |
| C32 | C34 | H22 | 109.9° | 109.5° |
| C32 | C34 | H23 | 109.9° | 109.5° |
| C32 | N29 | C28 | 122.7° | 120.6° |
| C32 | N29 | C30 | 127.3° | 120.7° |
| N29 | C28 | C27 | 109.3° | 108.8° |
| C28 | N29 | C30 | 109.9° | 118.7° |
| N29 | C28 | H16 | 109.5° | 109.6° |
| N29 | C28 | H17 | 109.5° | 109.6° |
| C28 | C27 | C26 | 115.2° | 109.3° |
| C28 | C27 | H14 | 108.0° | 109.5° |
| C28 | C27 | H15 | 108.0° | 109.6° |
| C27 | C28 | H16 | 109.5° | 109.6° |
| C27 | C28 | H17 | 109.5° | 109.5° |
| N29 | C30 | C31 | 107.0° | 108.8° |
| N29 | C30 | H18 | 110.1° | 109.6° |
| N29 | C30 | H19 | 110.1° | 109.7° |
| C27 | C26 | C31 | 108.1° | 109.5° |
| C27 | C26 | C22 | 108.8° | 109.5° |
| C27 | C26 | H13 | 106.7° | 109.5° |
| C26 | C27 | H14 | 108.0° | 109.5° |
| C26 | C27 | H15 | 108.0° | 109.5° |
| C30 | C31 | C26 | 114.0° | 109.4° |
| C31 | C30 | H18 | 110.1° | 109.6° |
| C31 | C30 | H19 | 110.1° | 109.6° |
| C30 | C31 | H20 | 108.4° | 109.5° |
| C30 | C31 | H21 | 108.3° | 109.5° |
| C31 | C26 | C22 | 119.0° | 109.5° |
| C31 | C26 | H13 | 106.4° | 109.4° |
| C26 | C31 | H20 | 108.3° | 109.5° |
| C26 | C31 | H21 | 108.3° | 109.5° |
| C26 | C22 | C21 | 122.8° | 119.9° |
| C26 | C22 | C23 | 122.5° | 119.9° |
| C22 | C26 | H13 | 107.2° | 109.5° |
| C21 | C22 | C23 | 114.6° | 120.2° |
| C22 | C21 | C20 | 121.8° | 120.4° |
| C22 | C21 | H12 | 119.1° | 119.9° |
| C22 | C23 | F24 | 116.2° | 120.1° |
| C22 | C23 | C17 | 126.9° | 119.8° |
| C21 | C20 | C19 | 119.7° | 120.2° |
| C21 | C20 | H11 | 120.2° | 119.9° |
| C20 | C21 | H12 | 119.1° | 119.7° |
| F24 | C23 | C17 | 116.9° | 120.1° |
| C23 | C17 | C19 | 115.6° | 119.6° |
| C23 | C17 | C16 | 122.0° | 120.2° |
| C20 | C19 | C17 | 121.4° | 119.8° |
| C20 | C19 | F25 | 121.1° | 120.1° |
| C19 | C20 | H11 | 120.1° | 119.9° |
| C19 | C17 | C16 | 122.4° | 120.2° |
| C17 | C19 | F25 | 117.5° | 120.1° |
| C17 | C16 | O18 | 120.2° | 120.0° |
| C17 | C16 | N15 | 118.6° | 120.1° |
| O18 | C16 | N15 | 121.3° | 120.0° |
| C16 | N15 | C11 | 129.1° | 120.1° |
| C16 | N15 | H34 | 115.5° | 120.0° |
| O43 | S39 | C40 | 107.6° | 110.5° |
| O43 | S39 | N03 | 105.4° | 104.3° |
| O43 | S39 | O42 | 120.3° | 121.1° |
| N15 | C11 | C12 | 130.7° | 127.3° |
| N15 | C11 | C10 | 123.2° | 127.3° |
| C11 | N15 | H34 | 115.5° | 120.0° |
| C05 | C04 | N03 | 111.0° | 108.8° |
| C04 | C05 | C06 | 113.7° | 109.3° |
| C05 | C04 | H5 | 109.1° | 109.6° |
| C05 | C04 | H6 | 109.1° | 109.6° |
| C04 | C05 | H7 | 108.4° | 109.5° |
| C04 | C05 | H8 | 108.4° | 109.5° |
| C04 | N03 | S39 | 118.6° | 120.6° |
| C04 | N03 | C02 | 109.9° | 118.7° |
| N03 | C04 | H5 | 109.1° | 109.6° |
| N03 | C04 | H6 | 109.1° | 109.6° |
| C05 | C06 | N07 | 108.9° | 109.5° |
| C05 | C06 | C01 | 105.5° | 109.5° |
| C06 | C05 | H7 | 108.4° | 109.5° |
| C06 | C05 | H8 | 108.4° | 109.5° |
| C05 | C06 | H9 | 108.6° | 109.5° |
| C12 | C11 | C10 | 106.0° | 105.4° |
| C11 | C12 | N13 | 105.7° | 107.1° |
| C11 | C12 | H10 | 127.2° | 126.5° |
| C11 | C10 | C08 | 127.2° | 126.5° |
| C11 | C10 | N14 | 111.2° | 107.1° |
| C41 | C40 | S39 | 113.6° | 109.5° |
| C41 | C40 | H27 | 108.4° | 109.5° |
| C41 | C40 | H28 | 108.4° | 109.5° |
| C40 | C41 | H29 | 109.5° | 109.5° |
| C40 | C41 | H30 | 109.5° | 109.5° |
| C40 | C41 | H31 | 109.5° | 109.5° |
| C40 | S39 | N03 | 108.0° | 104.4° |
| C40 | S39 | O42 | 109.0° | 110.5° |
| S39 | C40 | H27 | 108.4° | 109.5° |
| S39 | C40 | H28 | 108.4° | 109.5° |
| C12 | N13 | N14 | 111.6° | 110.2° |
| N13 | C12 | H10 | 127.1° | 126.5° |
| C12 | N13 | H33 | 124.2° | 124.9° |
| O09 | C08 | C10 | 118.3° | 120.0° |
| O09 | C08 | N07 | 119.7° | 120.0° |
| N03 | S39 | O42 | 106.0° | 104.3° |
| S39 | N03 | C02 | 121.5° | 120.7° |
| N03 | C02 | C01 | 112.5° | 108.8° |
| N03 | C02 | H3 | 108.7° | 109.6° |
| N03 | C02 | H4 | 108.7° | 109.6° |
| C08 | C10 | N14 | 121.6° | 126.5° |
| C10 | C08 | N07 | 121.9° | 120.0° |
| C10 | N14 | N13 | 105.5° | 110.3° |
| C08 | N07 | C06 | 120.0° | 120.0° |
| C08 | N07 | H32 | 120.0° | 120.0° |
| N14 | N13 | H33 | 124.2° | 124.9° |
| N07 | C06 | C01 | 115.0° | 109.4° |
| N07 | C06 | H9 | 110.0° | 109.5° |
| C06 | N07 | H32 | 120.0° | 120.0° |
| C06 | C01 | C02 | 111.1° | 109.3° |
| C06 | C01 | H1 | 109.1° | 109.5° |
| C06 | C01 | H2 | 109.0° | 109.5° |
| C01 | C06 | H9 | 108.7° | 109.5° |
| C02 | C01 | H1 | 109.0° | 109.5° |
| C02 | C01 | H2 | 109.1° | 109.5° |
| C01 | C02 | H3 | 108.7° | 109.6° |
| C01 | C02 | H4 | 108.7° | 109.6° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H3 | C02 | H4 | 109.5° | 109.6° |
| H5 | C04 | H6 | 109.5° | 109.7° |
| H7 | C05 | H8 | 109.5° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.5° |
| H16 | C28 | H17 | 109.5° | 109.7° |
| H18 | C30 | H19 | 109.5° | 109.6° |
| H20 | C31 | H21 | 109.5° | 109.5° |
| H22 | C34 | H23 | 109.5° | 109.4° |
| H24 | C38 | H25 | 109.5° | 109.4° |
| H24 | C38 | H26 | 109.5° | 109.5° |
| H25 | C38 | H26 | 109.5° | 109.5° |
| H27 | C40 | H28 | 109.5° | 109.4° |
| H29 | C41 | H30 | 109.5° | 109.5° |
| H29 | C41 | H31 | 109.4° | 109.4° |
| H30 | C41 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | O37 | C35 | C34 | 174.2° | 180.0° |
| C38 | O37 | C35 | O36 | 5.1° | 0.1° |
| O37 | C38 | H24 | H25 | 120.0° | 120.0° |
| O37 | C38 | H24 | H26 | 120.0° | 120.1° |
| O37 | C38 | H25 | H26 | 120.0° | 120.0° |
| O37 | C35 | C34 | O36 | 179.1° | 179.9° |
| O37 | C35 | C34 | C32 | 41.9° | 180.0° |
| O37 | C35 | C34 | H22 | 161.7° | 59.9° |
| O37 | C35 | C34 | H23 | 77.8° | 60.1° |
| C35 | O37 | C38 | H24 | 180.0° | 59.9° |
| C35 | O37 | C38 | H25 | 60.0° | 60.0° |
| C35 | O37 | C38 | H26 | 60.0° | 180.0° |
| O33 | C32 | C34 | C35 | 94.1° | 0.0° |
| O33 | C32 | C34 | N29 | 177.5° | 180.0° |
| O33 | C32 | N29 | C28 | 2.4° | 0.0° |
| O33 | C32 | N29 | C30 | 177.1° | 180.0° |
| O33 | C32 | C34 | H22 | 146.1° | 120.0° |
| O33 | C32 | C34 | H23 | 25.6° | 120.0° |
| C35 | C34 | C32 | H22 | 119.7° | 120.1° |
| C35 | C34 | C32 | H23 | 119.8° | 120.0° |
| C35 | C34 | C32 | N29 | 83.3° | 180.0° |
| C35 | C34 | H22 | H23 | 120.7° | 120.0° |
| O36 | C35 | C34 | C32 | 137.2° | 0.1° |
| O36 | C35 | C34 | H22 | 17.4° | 120.0° |
| O36 | C35 | C34 | H23 | 103.0° | 120.0° |
| C34 | C32 | N29 | C28 | 179.9° | 180.0° |
| C34 | C32 | N29 | C30 | 5.4° | 0.0° |
| C32 | C34 | H22 | H23 | 120.7° | 120.0° |
| C32 | N29 | C28 | C30 | 175.5° | 180.0° |
| C32 | N29 | C28 | C27 | 107.7° | 126.4° |
| C32 | N29 | C30 | C31 | 108.2° | 126.4° |
| C32 | N29 | C28 | H16 | 12.3° | 113.8° |
| C32 | N29 | C28 | H17 | 132.3° | 6.6° |
| C32 | N29 | C30 | H18 | 132.2° | 6.6° |
| C32 | N29 | C30 | H19 | 11.5° | 113.7° |
| N29 | C32 | C34 | H22 | 36.4° | 60.0° |
| N29 | C32 | C34 | H23 | 156.9° | 60.0° |
| N29 | C28 | C27 | H16 | 120.0° | 119.8° |
| N29 | C28 | C27 | H17 | 120.0° | 119.8° |
| N29 | C28 | C27 | C26 | 55.9° | 54.7° |
| C28 | N29 | C30 | C31 | 67.1° | 53.6° |
| N29 | C28 | C27 | H14 | 64.9° | 174.6° |
| N29 | C28 | C27 | H15 | 176.8° | 65.3° |
| N29 | C28 | H16 | H17 | 120.0° | 120.4° |
| C28 | N29 | C30 | H18 | 52.5° | 173.4° |
| C28 | N29 | C30 | H19 | 173.3° | 66.3° |
| C27 | C28 | N29 | C30 | 67.8° | 53.6° |
| C28 | C27 | C26 | H14 | 120.8° | 119.9° |
| C28 | C27 | C26 | H15 | 120.8° | 120.0° |
| C28 | C27 | C26 | C31 | 44.1° | 61.4° |
| C28 | C27 | C26 | C22 | 174.6° | 178.6° |
| C28 | C27 | C26 | H13 | 70.1° | 58.6° |
| C28 | C27 | H14 | H15 | 117.4° | 120.1° |
| C27 | C28 | H16 | H17 | 120.1° | 120.3° |
| N29 | C30 | C31 | H18 | 119.6° | 119.8° |
| N29 | C30 | C31 | H19 | 119.6° | 119.9° |
| N29 | C30 | C31 | C26 | 56.5° | 54.6° |
| C30 | N29 | C28 | H16 | 172.2° | 66.2° |
| C30 | N29 | C28 | H17 | 52.2° | 173.4° |
| N29 | C30 | H18 | H19 | 121.1° | 120.4° |
| N29 | C30 | C31 | H20 | 177.1° | 65.3° |
| N29 | C30 | C31 | H21 | 64.2° | 174.6° |
| C27 | C26 | C31 | C30 | 44.1° | 61.4° |
| C27 | C26 | C31 | C22 | 124.6° | 120.0° |
| C27 | C26 | C31 | H13 | 114.3° | 120.0° |
| C27 | C26 | C22 | H13 | 115.1° | 120.0° |
| C27 | C26 | C22 | C21 | 66.3° | 60.1° |
| C27 | C26 | C22 | C23 | 109.9° | 120.2° |
| C26 | C27 | H14 | H15 | 117.4° | 120.1° |
| C26 | C27 | C28 | H16 | 175.9° | 65.1° |
| C26 | C27 | C28 | H17 | 64.0° | 174.5° |
| C27 | C26 | C31 | H20 | 164.8° | 58.6° |
| C27 | C26 | C31 | H21 | 76.5° | 178.6° |
| C30 | C31 | C26 | H20 | 120.7° | 120.0° |
| C30 | C31 | C26 | H21 | 120.6° | 120.0° |
| C30 | C31 | C26 | C22 | 168.8° | 178.6° |
| C30 | C31 | C26 | H13 | 70.2° | 58.6° |
| C31 | C30 | H18 | H19 | 121.1° | 120.3° |
| C30 | C31 | H20 | H21 | 118.0° | 120.1° |
| C31 | C26 | C22 | H13 | 120.7° | 120.0° |
| C31 | C26 | C22 | C21 | 58.0° | 60.0° |
| C31 | C26 | C22 | C23 | 125.8° | 119.7° |
| C31 | C26 | C27 | H14 | 76.8° | 178.7° |
| C31 | C26 | C27 | H15 | 164.9° | 58.7° |
| C26 | C31 | C30 | H18 | 63.1° | 174.4° |
| C26 | C31 | C30 | H19 | 176.1° | 65.3° |
| C26 | C31 | H20 | H21 | 117.9° | 120.0° |
| C26 | C22 | C21 | C23 | 176.4° | 179.7° |
| C26 | C22 | C21 | C20 | 179.0° | 180.0° |
| C26 | C22 | C23 | F24 | 2.4° | 0.3° |
| C26 | C22 | C23 | C17 | 178.4° | 179.7° |
| C26 | C22 | C21 | H12 | 1.0° | 0.0° |
| C22 | C26 | C27 | H14 | 53.7° | 58.7° |
| C22 | C26 | C27 | H15 | 64.6° | 61.4° |
| C22 | C26 | C31 | H20 | 70.6° | 61.4° |
| C22 | C26 | C31 | H21 | 48.1° | 58.6° |
| C22 | C21 | C20 | H12 | 180.0° | 180.0° |
| C21 | C22 | C23 | F24 | 178.9° | 180.0° |
| C21 | C22 | C23 | C17 | 2.0° | 0.6° |
| C22 | C21 | C20 | C19 | 1.8° | 0.1° |
| C22 | C21 | C20 | H11 | 178.2° | 179.9° |
| C21 | C22 | C26 | H13 | 178.7° | 179.9° |
| C23 | C22 | C21 | C20 | 2.5° | 0.3° |
| C22 | C23 | F24 | C17 | 179.2° | 179.4° |
| C22 | C23 | C17 | C19 | 0.6° | 0.5° |
| C22 | C23 | C17 | C16 | 177.2° | 179.8° |
| C23 | C22 | C21 | H12 | 177.4° | 179.7° |
| C23 | C22 | C26 | H13 | 5.2° | 0.2° |
| C21 | C20 | C19 | H11 | 180.0° | 180.0° |
| C21 | C20 | C19 | C17 | 0.2° | 0.0° |
| C21 | C20 | C19 | F25 | 179.4° | 180.0° |
| F24 | C23 | C17 | C19 | 179.7° | 180.0° |
| F24 | C23 | C17 | C16 | 1.9° | 0.3° |
| C23 | C17 | C19 | C20 | 0.4° | 0.3° |
| C23 | C17 | C19 | C16 | 177.7° | 179.7° |
| C23 | C17 | C19 | F25 | 180.0° | 179.8° |
| C23 | C17 | C16 | O18 | 123.0° | 90.3° |
| C23 | C17 | C16 | N15 | 56.9° | 89.7° |
| C20 | C19 | C17 | F25 | 179.6° | 180.0° |
| C20 | C19 | C17 | C16 | 178.2° | 180.0° |
| C19 | C20 | C21 | H12 | 178.2° | 180.0° |
| C19 | C17 | C16 | O18 | 59.4° | 90.0° |
| C19 | C17 | C16 | N15 | 120.7° | 90.0° |
| C17 | C19 | C20 | H11 | 179.8° | 180.0° |
| C16 | C17 | C19 | F25 | 2.2° | 0.1° |
| C17 | C16 | O18 | N15 | 179.9° | 180.0° |
| C17 | C16 | N15 | C11 | 177.8° | 180.0° |
| C17 | C16 | N15 | H34 | 2.2° | 0.1° |
| F25 | C19 | C20 | H11 | 0.6° | 0.0° |
| O18 | C16 | N15 | C11 | 2.0° | 0.0° |
| O18 | C16 | N15 | H34 | 178.0° | 180.0° |
| C16 | N15 | C11 | H34 | 180.0° | 179.9° |
| C16 | N15 | C11 | C12 | 10.4° | 0.0° |
| C16 | N15 | C11 | C10 | 168.4° | 180.0° |
| O43 | S39 | N03 | C04 | 53.5° | 154.0° |
| O43 | S39 | C40 | C41 | 82.4° | 68.4° |
| O43 | S39 | C40 | N03 | 113.3° | 111.6° |
| O43 | S39 | C40 | O42 | 132.0° | 136.8° |
| O43 | S39 | N03 | O42 | 128.5° | 127.9° |
| O43 | S39 | N03 | C02 | 164.3° | 26.1° |
| O43 | S39 | C40 | H27 | 157.0° | 51.6° |
| O43 | S39 | C40 | H28 | 38.2° | 171.6° |
| N15 | C11 | C12 | C10 | 178.9° | 180.0° |
| N15 | C11 | C12 | N13 | 178.5° | 180.0° |
| N15 | C11 | C10 | C08 | 2.0° | 0.1° |
| N15 | C11 | C10 | N14 | 178.4° | 179.8° |
| N15 | C11 | C12 | H10 | 1.5° | 0.0° |
| C05 | C04 | N03 | H5 | 120.2° | 119.8° |
| C05 | C04 | N03 | H6 | 120.2° | 119.8° |
| C04 | C05 | C06 | H7 | 120.6° | 119.9° |
| C04 | C05 | C06 | H8 | 120.6° | 120.0° |
| C05 | C04 | N03 | S39 | 159.2° | 126.4° |
| C05 | C04 | N03 | C02 | 54.6° | 53.6° |
| C04 | C05 | C06 | N07 | 179.8° | 178.6° |
| C04 | C05 | C06 | C01 | 55.9° | 61.4° |
| C05 | C04 | H5 | H6 | 119.3° | 120.3° |
| C04 | C05 | H7 | H8 | 118.0° | 120.1° |
| C04 | C05 | C06 | H9 | 60.4° | 58.7° |
| N03 | C04 | C05 | C06 | 56.9° | 54.7° |
| C04 | N03 | S39 | C40 | 61.2° | 90.0° |
| C04 | N03 | S39 | C02 | 142.1° | 180.0° |
| C04 | N03 | S39 | O42 | 177.9° | 26.1° |
| C04 | N03 | C02 | C01 | 57.8° | 53.6° |
| C04 | N03 | C02 | H3 | 178.3° | 66.2° |
| C04 | N03 | C02 | H4 | 62.6° | 173.5° |
| N03 | C04 | H5 | H6 | 119.3° | 120.4° |
| N03 | C04 | C05 | H7 | 177.6° | 174.6° |
| N03 | C04 | C05 | H8 | 63.7° | 65.3° |
| C05 | C06 | N07 | C08 | 85.8° | 155.0° |
| C05 | C06 | N07 | C01 | 118.1° | 120.0° |
| C05 | C06 | N07 | H9 | 118.9° | 120.0° |
| C05 | C06 | C01 | H9 | 116.3° | 120.1° |
| C05 | C06 | C01 | C02 | 56.7° | 61.4° |
| C05 | C06 | C01 | H1 | 177.0° | 58.5° |
| C05 | C06 | C01 | H2 | 63.5° | 178.6° |
| C06 | C05 | C04 | H5 | 177.2° | 174.5° |
| C06 | C05 | C04 | H6 | 63.3° | 65.2° |
| C06 | C05 | H7 | H8 | 118.1° | 120.1° |
| C05 | C06 | N07 | H32 | 94.2° | 24.9° |
| C11 | C12 | N13 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | C08 | 177.0° | 180.0° |
| C12 | C11 | C10 | N14 | 0.6° | 0.2° |
| C11 | C12 | N13 | N14 | 0.1° | 0.3° |
| C11 | C12 | N13 | H33 | 179.9° | 180.0° |
| C12 | C11 | N15 | H34 | 169.6° | 179.9° |
| C10 | C11 | C12 | N13 | 0.4° | 0.0° |
| C11 | C10 | C08 | O09 | 14.0° | 0.3° |
| C11 | C10 | C08 | N14 | 176.1° | 179.8° |
| C11 | C10 | C08 | N07 | 163.4° | 179.7° |
| C11 | C10 | N14 | N13 | 0.6° | 0.4° |
| C10 | C11 | C12 | H10 | 179.6° | 180.0° |
| C10 | C11 | N15 | H34 | 11.6° | 0.1° |
| C41 | C40 | S39 | H27 | 120.6° | 120.0° |
| C41 | C40 | S39 | H28 | 120.6° | 120.0° |
| C41 | C40 | S39 | N03 | 164.3° | 180.0° |
| C41 | C40 | S39 | O42 | 49.6° | 68.4° |
| C41 | C40 | H27 | H28 | 118.1° | 119.9° |
| C40 | C41 | H29 | H30 | 120.0° | 120.0° |
| C40 | C41 | H29 | H31 | 120.0° | 120.0° |
| C40 | C41 | H30 | H31 | 120.0° | 120.0° |
| C40 | S39 | N03 | O42 | 116.7° | 116.0° |
| C40 | S39 | N03 | C02 | 80.9° | 90.0° |
| S39 | C40 | H27 | H28 | 118.1° | 120.0° |
| S39 | C40 | C41 | H29 | 180.0° | 180.0° |
| S39 | C40 | C41 | H30 | 60.0° | 60.0° |
| S39 | C40 | C41 | H31 | 60.0° | 60.0° |
| C12 | N13 | N14 | C10 | 0.3° | 0.4° |
| C12 | N13 | N14 | H33 | 180.0° | 179.7° |
| O09 | C08 | C10 | N07 | 177.4° | 180.0° |
| O09 | C08 | C10 | N14 | 169.9° | 180.0° |
| O09 | C08 | N07 | C06 | 2.0° | 0.0° |
| O09 | C08 | N07 | H32 | 178.0° | 180.0° |
| S39 | N03 | C02 | C01 | 157.1° | 126.4° |
| S39 | N03 | C02 | H3 | 36.7° | 113.8° |
| S39 | N03 | C02 | H4 | 82.4° | 6.5° |
| S39 | N03 | C04 | H5 | 39.0° | 6.6° |
| S39 | N03 | C04 | H6 | 80.6° | 113.8° |
| N03 | S39 | C40 | H27 | 43.7° | 60.0° |
| N03 | S39 | C40 | H28 | 75.1° | 60.0° |
| O42 | S39 | N03 | C02 | 35.8° | 154.0° |
| O42 | S39 | C40 | H27 | 71.0° | 171.6° |
| O42 | S39 | C40 | H28 | 170.2° | 51.6° |
| N03 | C02 | C01 | C06 | 60.6° | 54.7° |
| N03 | C02 | C01 | H3 | 120.4° | 119.9° |
| N03 | C02 | C01 | H4 | 120.4° | 119.9° |
| N03 | C02 | C01 | H1 | 179.1° | 65.3° |
| N03 | C02 | C01 | H2 | 59.6° | 174.7° |
| N03 | C02 | H3 | H4 | 118.6° | 120.4° |
| C02 | N03 | C04 | H5 | 174.8° | 173.4° |
| C02 | N03 | C04 | H6 | 65.6° | 66.2° |
| C08 | C10 | N14 | N13 | 177.2° | 179.8° |
| C10 | C08 | N07 | C06 | 175.4° | 180.0° |
| C10 | C08 | N07 | H32 | 4.6° | 0.0° |
| N14 | C10 | C08 | N07 | 12.7° | 0.0° |
| C10 | N14 | N13 | H33 | 179.7° | 179.9° |
| C08 | N07 | C06 | H32 | 180.0° | 180.0° |
| C08 | N07 | C06 | C01 | 156.1° | 84.9° |
| C08 | N07 | C06 | H9 | 33.1° | 35.0° |
| N14 | N13 | C12 | H10 | 179.9° | 179.7° |
| N07 | C06 | C01 | H9 | 123.8° | 119.9° |
| N07 | C06 | C01 | C02 | 176.7° | 178.6° |
| N07 | C06 | C01 | H1 | 63.1° | 61.5° |
| N07 | C06 | C01 | H2 | 56.4° | 58.6° |
| N07 | C06 | C05 | H7 | 59.6° | 58.7° |
| N07 | C06 | C05 | H8 | 59.2° | 61.4° |
| C06 | C01 | C02 | H1 | 120.3° | 120.0° |
| C06 | C01 | C02 | H2 | 120.2° | 120.0° |
| C06 | C01 | H1 | H2 | 119.2° | 120.1° |
| C06 | C01 | C02 | H3 | 179.0° | 65.2° |
| C06 | C01 | C02 | H4 | 59.8° | 174.5° |
| C01 | C06 | C05 | H7 | 176.5° | 178.7° |
| C01 | C06 | C05 | H8 | 64.7° | 58.6° |
| C01 | C06 | N07 | H32 | 23.9° | 95.1° |
| C02 | C01 | H1 | H2 | 119.3° | 120.1° |
| C01 | C02 | H3 | H4 | 118.7° | 120.3° |
| C02 | C01 | C06 | H9 | 59.6° | 58.6° |
| H1 | C01 | C02 | H3 | 58.7° | 174.9° |
| H1 | C01 | C02 | H4 | 60.5° | 54.6° |
| H1 | C01 | C06 | H9 | 60.7° | 178.6° |
| H2 | C01 | C02 | H3 | 60.8° | 54.8° |
| H2 | C01 | C02 | H4 | 179.9° | 65.5° |
| H2 | C01 | C06 | H9 | 179.8° | 61.3° |
| H5 | C04 | C05 | H7 | 62.2° | 65.6° |
| H5 | C04 | C05 | H8 | 56.5° | 54.5° |
| H6 | C04 | C05 | H7 | 57.4° | 54.8° |
| H6 | C04 | C05 | H8 | 176.1° | 174.8° |
| H7 | C05 | C06 | H9 | 60.2° | 61.3° |
| H8 | C05 | C06 | H9 | 179.0° | 178.6° |
| H9 | C06 | N07 | H32 | 146.9° | 145.0° |
| H10 | C12 | N13 | H33 | 0.1° | 0.0° |
| H11 | C20 | C21 | H12 | 1.8° | 0.0° |
| H13 | C26 | C27 | H14 | 169.1° | 61.3° |
| H13 | C26 | C27 | H15 | 50.8° | 178.6° |
| H13 | C26 | C31 | H20 | 50.5° | 178.6° |
| H13 | C26 | C31 | H21 | 169.2° | 61.4° |
| H14 | C27 | C28 | H16 | 55.1° | 54.8° |
| H14 | C27 | C28 | H17 | 175.1° | 65.6° |
| H15 | C27 | C28 | H16 | 63.2° | 174.9° |
| H15 | C27 | C28 | H17 | 56.8° | 54.5° |
| H18 | C30 | C31 | H20 | 57.5° | 54.4° |
| H18 | C30 | C31 | H21 | 176.2° | 65.6° |
| H19 | C30 | C31 | H20 | 63.3° | 174.8° |
| H19 | C30 | C31 | H21 | 55.4° | 54.7° |
| H24 | C38 | H25 | H26 | 120.0° | 120.0° |
| H27 | C40 | C41 | H29 | 59.4° | 60.0° |
| H27 | C40 | C41 | H30 | 60.6° | 60.0° |
| H27 | C40 | C41 | H31 | 179.4° | 180.0° |
| H28 | C40 | C41 | H29 | 59.4° | 59.9° |
| H28 | C40 | C41 | H30 | 179.4° | 180.0° |
| H28 | C40 | C41 | H31 | 60.6° | 60.0° |
| H29 | C41 | H30 | H31 | 119.9° | 119.9° |
