A1EEE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.60Å | |
| C10 | C09 | sing | 1.53Å | 1.59Å | |
| O32 | C31 | doub | 1.21Å | 1.19Å | |
| C11 | N51 | sing | 1.46Å | 1.50Å | |
| C09 | C08 | sing | 1.53Å | 1.59Å | |
| O33 | C06 | doub | 1.21Å | 1.19Å | |
| C08 | C31 | sing | 1.50Å | 1.48Å | |
| C08 | N07 | sing | 1.47Å | 1.16Å | |
| C31 | N19 | sing | 1.33Å | 1.44Å | |
| N51 | N52 | doub | 1.12Å | 1.51Å | |
| C24 | C23 | doub | 1.36Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | N07 | sing | 1.34Å | 1.51Å | |
| C06 | C05 | sing | 1.50Å | 1.54Å | |
| N07 | C17 | sing | 1.46Å | 1.56Å | |
| C23 | C22 | sing | 1.41Å | 1.43Å | Aromatic |
| N52 | N53 | doub | 1.12Å | 1.50Å | |
| N19 | C20 | sing | 1.46Å | 1.49Å | |
| N19 | C18 | sing | 1.46Å | 1.40Å | |
| C25 | C26 | doub | 1.36Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.55Å | |
| C05 | C04 | sing | 1.53Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.66Å | |
| C17 | N03 | sing | 1.46Å | 1.50Å | |
| C22 | C21 | doub | 1.40Å | 1.45Å | Aromatic |
| C22 | C27 | sing | 1.42Å | 1.38Å | Aromatic |
| C21 | C30 | sing | 1.36Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.44Å | Aromatic |
| N03 | C04 | sing | 1.47Å | 1.45Å | |
| N03 | C02 | sing | 1.35Å | 1.49Å | |
| C27 | C28 | doub | 1.41Å | 1.44Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| C02 | N34 | sing | 1.35Å | 1.47Å | |
| C30 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.36Å | 1.40Å | Aromatic |
| N34 | C35 | sing | 1.47Å | 1.48Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.39Å | |
| C37 | C38 | sing | 1.53Å | 1.39Å | |
| C38 | F41 | sing | 1.40Å | 1.38Å | |
| C38 | F40 | sing | 1.40Å | 1.38Å | |
| C38 | F42 | sing | 1.40Å | 1.39Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| N34 | H24 | sing | 0.97Å | 1.00Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 105.8° | 109.5° |
| C10 | C11 | N51 | 110.8° | 109.5° |
| C11 | C10 | H1 | 110.4° | 109.5° |
| C11 | C10 | H2 | 110.4° | 109.5° |
| C10 | C11 | H16 | 109.2° | 109.5° |
| C10 | C11 | H17 | 109.1° | 109.5° |
| C10 | C09 | C08 | 111.2° | 109.5° |
| C09 | C10 | H1 | 110.4° | 109.5° |
| C09 | C10 | H2 | 110.4° | 109.5° |
| C10 | C09 | H14 | 109.0° | 109.4° |
| C10 | C09 | H15 | 109.0° | 109.5° |
| O32 | C31 | C08 | 116.6° | 118.4° |
| O32 | C31 | N19 | 121.3° | 118.5° |
| C11 | N51 | N52 | 177.6° | 120.0° |
| N51 | C11 | H16 | 109.1° | 109.5° |
| N51 | C11 | H17 | 109.1° | 109.5° |
| C09 | C08 | C31 | 107.2° | 109.5° |
| C09 | C08 | N07 | 111.3° | 109.6° |
| C09 | C08 | H13 | 104.4° | 109.7° |
| C08 | C09 | H14 | 109.0° | 109.5° |
| C08 | C09 | H15 | 109.0° | 109.5° |
| O33 | C06 | N07 | 123.0° | 118.5° |
| O33 | C06 | C05 | 119.1° | 118.5° |
| C31 | C08 | N07 | 117.6° | 108.8° |
| C08 | C31 | N19 | 122.1° | 123.1° |
| C31 | C08 | H13 | 105.5° | 109.6° |
| C08 | N07 | C06 | 126.9° | 119.3° |
| C08 | N07 | C17 | 114.5° | 117.0° |
| N07 | C08 | H13 | 109.9° | 109.6° |
| C31 | N19 | C20 | 121.2° | 117.7° |
| C31 | N19 | C18 | 118.9° | 124.5° |
| N51 | N52 | N53 | 178.1° | 180.0° |
| C23 | C24 | C25 | 120.6° | 121.0° |
| C24 | C23 | C22 | 120.4° | 119.6° |
| C23 | C24 | H6 | 119.7° | 119.5° |
| C24 | C23 | H20 | 119.8° | 120.2° |
| C24 | C25 | C26 | 119.5° | 121.0° |
| C25 | C24 | H6 | 119.7° | 119.5° |
| C24 | C25 | H21 | 120.3° | 119.5° |
| N07 | C06 | C05 | 117.9° | 122.9° |
| C06 | N07 | C17 | 118.7° | 123.7° |
| C06 | C05 | C04 | 113.2° | 109.0° |
| C06 | C05 | H11 | 108.5° | 109.5° |
| C06 | C05 | H12 | 108.5° | 109.6° |
| N07 | C17 | C18 | 106.2° | 108.4° |
| N07 | C17 | N03 | 111.2° | 111.5° |
| N07 | C17 | H3 | 108.3° | 108.8° |
| C23 | C22 | C21 | 122.1° | 121.3° |
| C23 | C22 | C27 | 118.7° | 119.3° |
| C22 | C23 | H20 | 119.8° | 120.2° |
| C20 | N19 | C18 | 119.8° | 117.8° |
| N19 | C20 | C21 | 112.8° | 109.4° |
| N19 | C20 | H4 | 108.6° | 109.5° |
| N19 | C20 | H5 | 108.6° | 109.5° |
| N19 | C18 | C17 | 110.5° | 110.6° |
| N19 | C18 | H18 | 109.2° | 109.3° |
| N19 | C18 | H19 | 109.2° | 109.3° |
| C25 | C26 | C27 | 120.0° | 119.6° |
| C25 | C26 | H7 | 120.0° | 120.2° |
| C26 | C25 | H21 | 120.2° | 119.5° |
| C20 | C21 | C22 | 122.7° | 120.2° |
| C20 | C21 | C30 | 117.6° | 120.2° |
| C21 | C20 | H4 | 108.6° | 109.5° |
| C21 | C20 | H5 | 108.6° | 109.5° |
| C05 | C04 | N03 | 105.3° | 107.8° |
| C05 | C04 | H9 | 110.5° | 109.8° |
| C05 | C04 | H10 | 110.5° | 109.8° |
| C04 | C05 | H11 | 108.5° | 109.6° |
| C04 | C05 | H12 | 108.5° | 109.6° |
| C18 | C17 | N03 | 114.7° | 109.5° |
| C18 | C17 | H3 | 107.1° | 109.3° |
| C17 | C18 | H18 | 109.2° | 109.2° |
| C17 | C18 | H19 | 109.2° | 109.2° |
| C17 | N03 | C04 | 113.2° | 119.9° |
| C17 | N03 | C02 | 122.5° | 120.1° |
| N03 | C17 | H3 | 109.0° | 109.3° |
| C21 | C22 | C27 | 119.2° | 119.4° |
| C22 | C21 | C30 | 119.8° | 119.7° |
| C22 | C27 | C26 | 120.7° | 119.4° |
| C22 | C27 | C28 | 120.3° | 119.3° |
| C21 | C30 | C29 | 120.5° | 121.0° |
| C21 | C30 | H23 | 119.7° | 119.5° |
| C26 | C27 | C28 | 119.0° | 121.3° |
| C27 | C26 | H7 | 120.0° | 120.2° |
| C04 | N03 | C02 | 123.8° | 120.0° |
| N03 | C04 | H9 | 110.5° | 109.8° |
| N03 | C04 | H10 | 110.5° | 109.8° |
| N03 | C02 | O01 | 118.1° | 120.0° |
| N03 | C02 | N34 | 121.2° | 120.0° |
| C27 | C28 | C29 | 120.2° | 119.6° |
| C27 | C28 | H8 | 119.9° | 120.2° |
| O01 | C02 | N34 | 120.7° | 120.0° |
| C02 | N34 | C35 | 122.1° | 120.0° |
| C02 | N34 | H24 | 119.0° | 120.1° |
| C30 | C29 | C28 | 120.0° | 121.0° |
| C30 | C29 | H22 | 120.1° | 119.6° |
| C29 | C30 | H23 | 119.7° | 119.5° |
| C29 | C28 | H8 | 119.9° | 120.2° |
| C28 | C29 | H22 | 120.0° | 119.4° |
| N34 | C35 | C36 | 112.6° | 109.5° |
| C35 | N34 | H24 | 118.9° | 119.9° |
| N34 | C35 | H25 | 108.7° | 109.4° |
| N34 | C35 | H26 | 108.7° | 109.4° |
| C35 | C36 | C37 | 110.6° | 109.5° |
| C36 | C35 | H25 | 108.7° | 109.5° |
| C36 | C35 | H26 | 108.7° | 109.5° |
| C35 | C36 | H27 | 109.2° | 109.5° |
| C35 | C36 | H28 | 109.2° | 109.5° |
| C36 | C37 | C38 | 110.6° | 109.5° |
| C37 | C36 | H27 | 109.2° | 109.5° |
| C37 | C36 | H28 | 109.2° | 109.5° |
| C36 | C37 | H29 | 109.2° | 109.4° |
| C36 | C37 | H30 | 109.2° | 109.5° |
| C37 | C38 | F41 | 107.8° | 109.5° |
| C37 | C38 | F40 | 110.2° | 109.5° |
| C37 | C38 | F42 | 111.0° | 109.5° |
| C38 | C37 | H29 | 109.2° | 109.5° |
| C38 | C37 | H30 | 109.2° | 109.4° |
| F41 | C38 | F40 | 109.6° | 109.5° |
| F41 | C38 | F42 | 109.7° | 109.4° |
| F40 | C38 | F42 | 108.6° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.4° |
| H9 | C04 | H10 | 109.5° | 109.8° |
| H11 | C05 | H12 | 109.5° | 109.6° |
| H14 | C09 | H15 | 109.5° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.3° |
| H25 | C35 | H26 | 109.5° | 109.5° |
| H27 | C36 | H28 | 109.5° | 109.4° |
| H29 | C37 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H1 | 119.5° | 120.0° |
| C11 | C10 | C09 | H2 | 119.4° | 120.0° |
| C10 | C11 | N51 | H16 | 120.2° | 120.0° |
| C10 | C11 | N51 | H17 | 120.2° | 120.0° |
| C11 | C10 | C09 | C08 | 127.7° | 180.0° |
| C10 | C11 | N51 | N52 | 60.7° | 120.0° |
| C11 | C10 | H1 | H2 | 121.7° | 120.0° |
| C11 | C10 | C09 | H14 | 112.1° | 60.0° |
| C11 | C10 | C09 | H15 | 7.4° | 60.0° |
| C10 | C11 | H16 | H17 | 119.4° | 120.0° |
| C09 | C10 | C11 | N51 | 97.2° | 180.0° |
| C10 | C09 | C08 | H14 | 120.3° | 120.0° |
| C10 | C09 | C08 | H15 | 120.3° | 120.0° |
| C10 | C09 | C08 | C31 | 156.4° | 175.0° |
| C10 | C09 | C08 | N07 | 73.7° | 65.7° |
| C09 | C10 | H1 | H2 | 121.7° | 120.0° |
| C10 | C09 | C08 | H13 | 44.7° | 54.7° |
| C10 | C09 | H14 | H15 | 119.2° | 120.0° |
| C09 | C10 | C11 | H16 | 23.0° | 60.0° |
| C09 | C10 | C11 | H17 | 142.6° | 60.0° |
| O32 | C31 | C08 | C09 | 69.3° | 73.2° |
| O32 | C31 | C08 | N19 | 178.7° | 179.9° |
| O32 | C31 | C08 | N07 | 164.5° | 167.0° |
| O32 | C31 | N19 | C20 | 1.2° | 4.4° |
| O32 | C31 | N19 | C18 | 179.1° | 175.7° |
| O32 | C31 | C08 | H13 | 41.6° | 47.2° |
| C11 | N51 | N52 | N53 | 172.1° | 70.5° |
| N51 | C11 | C10 | H1 | 22.3° | 60.0° |
| N51 | C11 | C10 | H2 | 143.4° | 60.0° |
| N51 | C11 | H16 | H17 | 119.4° | 120.0° |
| C09 | C08 | C31 | N07 | 126.2° | 119.8° |
| C09 | C08 | C31 | H13 | 110.9° | 120.4° |
| C09 | C08 | N07 | H13 | 115.1° | 120.4° |
| C09 | C08 | C31 | N19 | 109.4° | 106.9° |
| C09 | C08 | N07 | C06 | 106.1° | 103.1° |
| C09 | C08 | N07 | C17 | 75.4° | 76.6° |
| C08 | C09 | C10 | H1 | 8.2° | 60.0° |
| C08 | C09 | C10 | H2 | 112.9° | 60.0° |
| C08 | C09 | H14 | H15 | 119.2° | 120.0° |
| O33 | C06 | N07 | C08 | 1.8° | 3.5° |
| O33 | C06 | N07 | C05 | 179.8° | 180.0° |
| O33 | C06 | N07 | C17 | 179.8° | 176.8° |
| O33 | C06 | C05 | C04 | 155.9° | 151.4° |
| O33 | C06 | C05 | H11 | 83.5° | 31.6° |
| O33 | C06 | C05 | H12 | 35.4° | 88.6° |
| C31 | C08 | N07 | H13 | 120.7° | 119.8° |
| C31 | C08 | N07 | C06 | 129.7° | 137.1° |
| C31 | C08 | N07 | C17 | 48.8° | 43.1° |
| C08 | C31 | N19 | C20 | 179.9° | 175.8° |
| C08 | C31 | N19 | C18 | 2.2° | 4.1° |
| C31 | C08 | C09 | H14 | 36.1° | 55.0° |
| C31 | C08 | C09 | H15 | 83.4° | 65.0° |
| N07 | C08 | C31 | N19 | 16.8° | 12.9° |
| C08 | N07 | C06 | C17 | 178.4° | 179.7° |
| C08 | N07 | C06 | C05 | 178.0° | 176.6° |
| C08 | N07 | C17 | C18 | 63.8° | 61.9° |
| C08 | N07 | C17 | N03 | 170.7° | 177.5° |
| C08 | N07 | C17 | H3 | 51.0° | 56.8° |
| N07 | C08 | C09 | H14 | 166.0° | 174.3° |
| N07 | C08 | C09 | H15 | 46.5° | 54.3° |
| C31 | N19 | C20 | C18 | 177.9° | 179.9° |
| C31 | N19 | C20 | C21 | 122.8° | 84.5° |
| C31 | N19 | C18 | C17 | 19.8° | 21.5° |
| C31 | N19 | C20 | H4 | 116.7° | 155.5° |
| C31 | N19 | C20 | H5 | 2.3° | 35.5° |
| N19 | C31 | C08 | H13 | 139.7° | 132.7° |
| C31 | N19 | C18 | H18 | 100.4° | 141.8° |
| C31 | N19 | C18 | H19 | 140.0° | 98.7° |
| N52 | N51 | C11 | H16 | 59.5° | 0.1° |
| N52 | N51 | C11 | H17 | 179.1° | 120.0° |
| C23 | C24 | C25 | H6 | 180.0° | 179.9° |
| C24 | C23 | C22 | H20 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C24 | C23 | C22 | C21 | 179.9° | 180.0° |
| C24 | C23 | C22 | C27 | 0.1° | 0.0° |
| C23 | C24 | C25 | H21 | 179.8° | 180.0° |
| C25 | C24 | C23 | C22 | 0.0° | 0.0° |
| C24 | C25 | C26 | H21 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.1° |
| C24 | C25 | C26 | H7 | 179.7° | 180.0° |
| C25 | C24 | C23 | H20 | 180.0° | 180.0° |
| N07 | C06 | C05 | C04 | 23.9° | 28.5° |
| C06 | N07 | C17 | C18 | 114.8° | 118.3° |
| C06 | N07 | C17 | N03 | 10.6° | 2.3° |
| C06 | N07 | C17 | H3 | 130.4° | 122.9° |
| N07 | C06 | C05 | H11 | 96.7° | 148.4° |
| N07 | C06 | C05 | H12 | 144.4° | 91.4° |
| C06 | N07 | C08 | H13 | 9.0° | 17.3° |
| C05 | C06 | N07 | C17 | 0.4° | 3.2° |
| C06 | C05 | C04 | H11 | 120.6° | 119.8° |
| C06 | C05 | C04 | H12 | 120.5° | 119.9° |
| C06 | C05 | C04 | N03 | 58.5° | 50.9° |
| C06 | C05 | C04 | H9 | 177.8° | 68.7° |
| C06 | C05 | C04 | H10 | 60.9° | 170.4° |
| C06 | C05 | H11 | H12 | 118.3° | 120.3° |
| N07 | C17 | C18 | N19 | 45.4° | 46.9° |
| N07 | C17 | C18 | N03 | 123.3° | 121.8° |
| N07 | C17 | C18 | H3 | 115.6° | 118.4° |
| N07 | C17 | N03 | H3 | 119.4° | 120.3° |
| N07 | C17 | N03 | C04 | 48.9° | 31.1° |
| N07 | C17 | N03 | C02 | 123.9° | 148.8° |
| C17 | N07 | C08 | H13 | 169.5° | 163.0° |
| N07 | C17 | C18 | H18 | 74.8° | 167.2° |
| N07 | C17 | C18 | H19 | 165.6° | 73.4° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C23 | C22 | C21 | C27 | 180.0° | 180.0° |
| C23 | C22 | C21 | C30 | 179.9° | 179.7° |
| C23 | C22 | C27 | C26 | 0.1° | 0.0° |
| C23 | C22 | C27 | C28 | 179.9° | 180.0° |
| C22 | C23 | C24 | H6 | 180.0° | 179.9° |
| N19 | C20 | C21 | H4 | 120.5° | 120.0° |
| N19 | C20 | C21 | H5 | 120.5° | 120.0° |
| C20 | N19 | C18 | C17 | 162.2° | 158.4° |
| N19 | C20 | C21 | C22 | 73.9° | 81.4° |
| N19 | C20 | C21 | C30 | 106.2° | 98.4° |
| N19 | C20 | H4 | H5 | 118.5° | 120.0° |
| C20 | N19 | C18 | H18 | 77.6° | 38.1° |
| C20 | N19 | C18 | H19 | 42.1° | 81.4° |
| C18 | N19 | C20 | C21 | 59.2° | 95.5° |
| N19 | C18 | C17 | H18 | 120.2° | 120.3° |
| N19 | C18 | C17 | H19 | 120.1° | 120.3° |
| N19 | C18 | C17 | N03 | 168.7° | 168.7° |
| N19 | C18 | C17 | H3 | 70.2° | 71.6° |
| C18 | N19 | C20 | H4 | 61.3° | 24.4° |
| C18 | N19 | C20 | H5 | 179.7° | 144.4° |
| N19 | C18 | H18 | H19 | 119.5° | 119.5° |
| C25 | C26 | C27 | C22 | 0.2° | 0.1° |
| C25 | C26 | C27 | H7 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 179.7° | 180.0° |
| C26 | C25 | C24 | H6 | 179.9° | 179.9° |
| C20 | C21 | C22 | C30 | 179.9° | 179.7° |
| C20 | C21 | C22 | C27 | 180.0° | 180.0° |
| C20 | C21 | C30 | C29 | 179.9° | 180.0° |
| C21 | C20 | H4 | H5 | 118.4° | 120.0° |
| C20 | C21 | C30 | H23 | 0.1° | 0.0° |
| C05 | C04 | N03 | C17 | 73.9° | 56.7° |
| C05 | C04 | N03 | H9 | 119.4° | 119.6° |
| C05 | C04 | N03 | H10 | 119.3° | 119.6° |
| C05 | C04 | N03 | C02 | 98.9° | 123.2° |
| C05 | C04 | H9 | H10 | 121.9° | 120.9° |
| C04 | C05 | H11 | H12 | 118.3° | 120.3° |
| C18 | C17 | N03 | H3 | 120.1° | 119.7° |
| C18 | C17 | N03 | C04 | 71.6° | 88.8° |
| C18 | C17 | N03 | C02 | 115.5° | 91.2° |
| C17 | C18 | H18 | H19 | 119.5° | 119.3° |
| C17 | N03 | C04 | C02 | 172.8° | 180.0° |
| C17 | N03 | C02 | O01 | 5.2° | 174.9° |
| C17 | N03 | C02 | N34 | 176.4° | 5.2° |
| C17 | N03 | C04 | H9 | 166.7° | 62.9° |
| C17 | N03 | C04 | H10 | 45.4° | 176.3° |
| N03 | C17 | C18 | H18 | 48.5° | 71.0° |
| N03 | C17 | C18 | H19 | 71.2° | 48.4° |
| C21 | C22 | C27 | C26 | 179.9° | 180.0° |
| C21 | C22 | C27 | C28 | 0.1° | 0.0° |
| C22 | C21 | C30 | C29 | 0.0° | 0.2° |
| C22 | C21 | C20 | H4 | 165.6° | 38.6° |
| C22 | C21 | C20 | H5 | 46.6° | 158.6° |
| C21 | C22 | C23 | H20 | 0.1° | 0.0° |
| C22 | C21 | C30 | H23 | 180.0° | 179.7° |
| C27 | C22 | C21 | C30 | 0.1° | 0.3° |
| C22 | C27 | C26 | C28 | 180.0° | 180.0° |
| C22 | C27 | C28 | C29 | 0.0° | 0.3° |
| C22 | C27 | C26 | H7 | 179.8° | 180.0° |
| C22 | C27 | C28 | H8 | 180.0° | 180.0° |
| C27 | C22 | C23 | H20 | 180.0° | 180.0° |
| C21 | C30 | C29 | H23 | 180.0° | 180.0° |
| C21 | C30 | C29 | C28 | 0.0° | 0.1° |
| C30 | C21 | C20 | H4 | 14.3° | 141.6° |
| C30 | C21 | C20 | H5 | 133.3° | 21.7° |
| C21 | C30 | C29 | H22 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 180.0° | 179.7° |
| C26 | C27 | C28 | H8 | 0.0° | 0.0° |
| C27 | C26 | C25 | H21 | 179.7° | 180.0° |
| C04 | N03 | C02 | O01 | 177.3° | 5.1° |
| C04 | N03 | C02 | N34 | 4.3° | 174.8° |
| C04 | N03 | C17 | H3 | 168.3° | 151.5° |
| N03 | C04 | H9 | H10 | 121.9° | 120.8° |
| N03 | C04 | C05 | H11 | 62.1° | 170.7° |
| N03 | C04 | C05 | H12 | 179.0° | 69.1° |
| N03 | C02 | O01 | N34 | 178.4° | 179.9° |
| N03 | C02 | N34 | C35 | 179.1° | 175.0° |
| C02 | N03 | C17 | H3 | 4.6° | 28.5° |
| C02 | N03 | C04 | H9 | 20.5° | 117.2° |
| C02 | N03 | C04 | H10 | 141.8° | 3.6° |
| N03 | C02 | N34 | H24 | 0.9° | 5.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.4° |
| C27 | C28 | C29 | H8 | 180.0° | 179.7° |
| C28 | C27 | C26 | H7 | 0.3° | 0.0° |
| C27 | C28 | C29 | H22 | 180.0° | 179.7° |
| O01 | C02 | N34 | C35 | 0.7° | 4.9° |
| O01 | C02 | N34 | H24 | 179.3° | 175.1° |
| C02 | N34 | C35 | H24 | 180.0° | 180.0° |
| C02 | N34 | C35 | C36 | 106.4° | 180.0° |
| C02 | N34 | C35 | H25 | 14.0° | 59.9° |
| C02 | N34 | C35 | H26 | 133.1° | 60.0° |
| C30 | C29 | C28 | H22 | 180.0° | 180.0° |
| C30 | C29 | C28 | H8 | 180.0° | 180.0° |
| C28 | C29 | C30 | H23 | 180.0° | 180.0° |
| N34 | C35 | C36 | H25 | 120.4° | 120.0° |
| N34 | C35 | C36 | H26 | 120.5° | 120.0° |
| N34 | C35 | C36 | C37 | 84.0° | 180.0° |
| N34 | C35 | H25 | H26 | 118.6° | 119.9° |
| N34 | C35 | C36 | H27 | 155.8° | 59.9° |
| N34 | C35 | C36 | H28 | 36.1° | 60.0° |
| C35 | C36 | C37 | H27 | 120.2° | 120.0° |
| C35 | C36 | C37 | H28 | 120.2° | 120.0° |
| C35 | C36 | C37 | C38 | 176.1° | 180.0° |
| C36 | C35 | N34 | H24 | 73.6° | 0.0° |
| C36 | C35 | H25 | H26 | 118.6° | 120.0° |
| C35 | C36 | H27 | H28 | 119.5° | 120.0° |
| C35 | C36 | C37 | H29 | 63.7° | 60.0° |
| C35 | C36 | C37 | H30 | 56.0° | 60.0° |
| C36 | C37 | C38 | H29 | 120.2° | 120.0° |
| C36 | C37 | C38 | H30 | 120.2° | 120.0° |
| C36 | C37 | C38 | F41 | 177.3° | 60.0° |
| C36 | C37 | C38 | F40 | 57.8° | 60.0° |
| C36 | C37 | C38 | F42 | 62.5° | 179.9° |
| C37 | C36 | C35 | H25 | 36.4° | 60.0° |
| C37 | C36 | C35 | H26 | 155.5° | 60.0° |
| C37 | C36 | H27 | H28 | 119.5° | 120.0° |
| C36 | C37 | H29 | H30 | 119.5° | 120.1° |
| C37 | C38 | F41 | F40 | 119.9° | 120.0° |
| C37 | C38 | F41 | F42 | 120.9° | 120.0° |
| C37 | C38 | F40 | F42 | 121.7° | 120.0° |
| C38 | C37 | C36 | H27 | 56.0° | 60.0° |
| C38 | C37 | C36 | H28 | 63.7° | 60.0° |
| C38 | C37 | H29 | H30 | 119.5° | 120.0° |
| F41 | C38 | F40 | F42 | 119.9° | 120.0° |
| F41 | C38 | C37 | H29 | 57.2° | 60.0° |
| F41 | C38 | C37 | H30 | 62.5° | 180.0° |
| F40 | C38 | C37 | H29 | 62.4° | 180.0° |
| F40 | C38 | C37 | H30 | 177.9° | 60.0° |
| F42 | C38 | C37 | H29 | 177.3° | 60.0° |
| F42 | C38 | C37 | H30 | 57.6° | 60.1° |
| H1 | C10 | C09 | H14 | 128.5° | 60.1° |
| H1 | C10 | C09 | H15 | 112.1° | 180.0° |
| H1 | C10 | C11 | H16 | 142.5° | 180.0° |
| H1 | C10 | C11 | H17 | 97.9° | 60.0° |
| H2 | C10 | C09 | H14 | 7.3° | 180.0° |
| H2 | C10 | C09 | H15 | 126.8° | 60.0° |
| H2 | C10 | C11 | H16 | 96.4° | 60.0° |
| H2 | C10 | C11 | H17 | 23.2° | 180.0° |
| H3 | C17 | C18 | H18 | 169.6° | 48.8° |
| H3 | C17 | C18 | H19 | 49.9° | 168.1° |
| H6 | C24 | C23 | H20 | 0.0° | 0.1° |
| H6 | C24 | C25 | H21 | 0.1° | 0.1° |
| H7 | C26 | C25 | H21 | 0.3° | 0.0° |
| H8 | C28 | C29 | H22 | 0.0° | 0.0° |
| H9 | C04 | C05 | H11 | 57.3° | 51.1° |
| H9 | C04 | C05 | H12 | 61.6° | 171.3° |
| H10 | C04 | C05 | H11 | 178.6° | 69.8° |
| H10 | C04 | C05 | H12 | 59.7° | 50.5° |
| H13 | C08 | C09 | H14 | 75.5° | 65.3° |
| H13 | C08 | C09 | H15 | 165.0° | 174.7° |
| H22 | C29 | C30 | H23 | 0.0° | 0.0° |
| H24 | N34 | C35 | H25 | 166.0° | 120.1° |
| H24 | N34 | C35 | H26 | 46.9° | 120.0° |
| H25 | C35 | C36 | H27 | 83.8° | 179.9° |
| H25 | C35 | C36 | H28 | 156.6° | 60.0° |
| H26 | C35 | C36 | H27 | 35.3° | 60.0° |
| H26 | C35 | C36 | H28 | 84.3° | 179.9° |
| H27 | C36 | C37 | H29 | 176.1° | 179.9° |
| H27 | C36 | C37 | H30 | 64.2° | 60.0° |
| H28 | C36 | C37 | H29 | 56.5° | 60.0° |
| H28 | C36 | C37 | H30 | 176.2° | 180.0° |
