X82
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.50Å | 1.54Å | |
| C01 | N03 | sing | 1.46Å | 1.45Å | |
| N03 | C04 | sing | 1.44Å | 1.46Å | |
| C04 | C05 | sing | 1.52Å | 1.46Å | |
| C02 | C06 | sing | 1.49Å | 1.56Å | |
| C05 | C07 | sing | 1.50Å | 1.55Å | |
| C06 | C07 | sing | 1.51Å | 1.51Å | |
| C07 | C08 | sing | 1.55Å | 1.54Å | |
| C08 | N09 | sing | 1.47Å | 1.44Å | |
| C06 | C10 | sing | 1.54Å | 1.52Å | |
| N09 | C10 | sing | 1.48Å | 1.46Å | |
| N03 | C13 | sing | 1.35Å | 1.44Å | |
| C13 | C14 | sing | 1.46Å | 1.52Å | |
| C13 | O15 | doub | 1.22Å | 1.26Å | |
| C14 | C16 | doub | 1.35Å | 1.40Å | |
| C16 | C17 | sing | 1.47Å | 1.51Å | |
| C17 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | O23 | sing | 1.36Å | 1.39Å | |
| O23 | C24 | sing | 1.43Å | 1.36Å | |
| C24 | F25 | sing | 1.40Å | 1.34Å | |
| C24 | F26 | sing | 1.40Å | 1.31Å | |
| C24 | F27 | sing | 1.40Å | 1.32Å | |
| N09 | C28 | sing | 1.35Å | 1.45Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C28 | O30 | doub | 1.21Å | 1.21Å | |
| C29 | C31 | sing | 1.53Å | 1.46Å | |
| C31 | C32 | sing | 1.53Å | 1.42Å | |
| C29 | C33 | sing | 1.53Å | 1.42Å | |
| C33 | C34 | sing | 1.51Å | 1.55Å | |
| C32 | C35 | sing | 1.51Å | 1.56Å | |
| C34 | C35 | doub | 1.36Å | 1.53Å | Aromatic |
| C35 | N36 | sing | 1.34Å | 1.32Å | Aromatic |
| N36 | N37 | sing | 1.29Å | 1.45Å | Aromatic |
| C34 | N38 | sing | 1.33Å | 1.32Å | Aromatic |
| N37 | N38 | doub | 1.29Å | 1.45Å | Aromatic |
| C01 | H40 | sing | 1.09Å | 1.10Å | |
| C01 | H39 | sing | 1.09Å | 1.10Å | |
| C02 | H41 | sing | 1.09Å | 1.10Å | |
| C02 | H42 | sing | 1.09Å | 1.10Å | |
| C04 | H44 | sing | 1.09Å | 1.10Å | |
| C04 | H43 | sing | 1.09Å | 1.10Å | |
| C05 | H46 | sing | 1.09Å | 1.10Å | |
| C05 | H45 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H50 | sing | 1.09Å | 1.10Å | |
| C10 | H49 | sing | 1.09Å | 1.10Å | |
| C16 | H52 | sing | 1.08Å | 1.08Å | |
| C18 | H53 | sing | 1.08Å | 1.08Å | |
| C19 | H54 | sing | 1.08Å | 1.08Å | |
| C21 | H55 | sing | 1.08Å | 1.08Å | |
| C22 | H56 | sing | 1.08Å | 1.08Å | |
| C08 | H47 | sing | 1.09Å | 1.10Å | |
| C08 | H48 | sing | 1.09Å | 1.10Å | |
| C14 | H51 | sing | 1.08Å | 1.08Å | |
| C29 | H57 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| N36 | H64 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | N03 | 111.5° | 113.2° |
| C01 | C02 | C06 | 116.8° | 116.5° |
| C02 | C01 | H40 | 109.0° | 108.8° |
| C02 | C01 | H39 | 109.0° | 108.7° |
| C01 | C02 | H41 | 107.6° | 108.0° |
| C01 | C02 | H42 | 107.6° | 108.0° |
| C01 | N03 | C04 | 127.2° | 121.3° |
| C01 | N03 | C13 | 116.8° | 119.3° |
| N03 | C01 | H40 | 109.0° | 108.7° |
| N03 | C01 | H39 | 109.0° | 108.7° |
| N03 | C04 | C05 | 106.4° | 110.1° |
| C04 | N03 | C13 | 115.9° | 119.4° |
| N03 | C04 | H44 | 110.2° | 109.3° |
| N03 | C04 | H43 | 110.2° | 109.3° |
| C04 | C05 | C07 | 111.8° | 114.9° |
| C05 | C04 | H44 | 110.2° | 109.4° |
| C05 | C04 | H43 | 110.2° | 109.4° |
| C04 | C05 | H46 | 108.9° | 108.4° |
| C04 | C05 | H45 | 108.9° | 108.4° |
| C02 | C06 | C07 | 121.5° | 119.9° |
| C02 | C06 | C10 | 114.4° | 112.9° |
| C06 | C02 | H41 | 107.6° | 108.0° |
| C06 | C02 | H42 | 107.6° | 108.1° |
| C02 | C06 | H12 | 105.6° | 106.8° |
| C05 | C07 | C06 | 122.0° | 116.1° |
| C05 | C07 | C08 | 109.4° | 108.8° |
| C07 | C05 | H46 | 108.9° | 108.4° |
| C07 | C05 | H45 | 108.9° | 108.4° |
| C05 | C07 | H11 | 107.3° | 109.3° |
| C06 | C07 | C08 | 102.1° | 104.5° |
| C07 | C06 | C10 | 102.3° | 104.3° |
| C07 | C06 | H12 | 106.1° | 106.5° |
| C06 | C07 | H11 | 107.8° | 109.2° |
| C07 | C08 | N09 | 103.4° | 106.9° |
| C08 | C07 | H11 | 107.4° | 108.5° |
| C07 | C08 | H47 | 111.0° | 109.9° |
| C07 | C08 | H48 | 111.0° | 110.0° |
| C08 | N09 | C10 | 111.9° | 106.1° |
| C08 | N09 | C28 | 124.6° | 126.9° |
| N09 | C08 | H47 | 111.0° | 110.0° |
| N09 | C08 | H48 | 111.0° | 110.0° |
| C06 | C10 | N09 | 102.8° | 102.4° |
| C10 | C06 | H12 | 105.9° | 105.5° |
| C06 | C10 | H50 | 111.1° | 110.8° |
| C06 | C10 | H49 | 111.1° | 110.8° |
| C10 | N09 | C28 | 123.5° | 127.0° |
| N09 | C10 | H50 | 111.1° | 110.8° |
| N09 | C10 | H49 | 111.1° | 110.8° |
| N03 | C13 | C14 | 120.2° | 120.0° |
| N03 | C13 | O15 | 121.5° | 119.9° |
| C14 | C13 | O15 | 118.2° | 120.0° |
| C13 | C14 | C16 | 118.1° | 120.0° |
| C13 | C14 | H51 | 121.0° | 120.0° |
| C14 | C16 | C17 | 117.5° | 120.0° |
| C14 | C16 | H52 | 121.3° | 120.1° |
| C16 | C14 | H51 | 120.9° | 120.0° |
| C16 | C17 | C18 | 118.0° | 120.1° |
| C16 | C17 | C22 | 120.7° | 120.1° |
| C17 | C16 | H52 | 121.2° | 120.0° |
| C17 | C18 | C19 | 118.2° | 119.9° |
| C18 | C17 | C22 | 121.3° | 119.8° |
| C17 | C18 | H53 | 120.9° | 120.1° |
| C18 | C19 | C20 | 121.2° | 120.0° |
| C19 | C18 | H53 | 120.9° | 120.0° |
| C18 | C19 | H54 | 119.4° | 120.0° |
| C19 | C20 | C21 | 119.9° | 120.3° |
| C19 | C20 | O23 | 121.1° | 119.9° |
| C20 | C19 | H54 | 119.4° | 120.0° |
| C20 | C21 | C22 | 119.2° | 120.1° |
| C21 | C20 | O23 | 119.0° | 119.9° |
| C20 | C21 | H55 | 120.4° | 119.9° |
| C17 | C22 | C21 | 120.1° | 119.9° |
| C17 | C22 | H56 | 119.9° | 120.1° |
| C22 | C21 | H55 | 120.4° | 120.0° |
| C21 | C22 | H56 | 119.9° | 120.0° |
| C20 | O23 | C24 | 120.4° | 117.0° |
| O23 | C24 | F25 | 111.3° | 109.4° |
| O23 | C24 | F26 | 108.6° | 109.5° |
| O23 | C24 | F27 | 107.2° | 109.4° |
| F25 | C24 | F26 | 111.6° | 109.5° |
| F25 | C24 | F27 | 109.1° | 109.5° |
| F26 | C24 | F27 | 109.0° | 109.5° |
| N09 | C28 | C29 | 114.2° | 120.0° |
| N09 | C28 | O30 | 121.8° | 120.0° |
| C29 | C28 | O30 | 124.0° | 120.0° |
| C28 | C29 | C31 | 105.6° | 109.5° |
| C28 | C29 | C33 | 105.1° | 109.5° |
| C28 | C29 | H57 | 107.6° | 109.4° |
| C29 | C31 | C32 | 111.6° | 109.6° |
| C31 | C29 | C33 | 120.3° | 109.6° |
| C31 | C29 | H57 | 108.5° | 109.4° |
| C29 | C31 | H58 | 108.9° | 109.4° |
| C29 | C31 | H59 | 108.9° | 109.5° |
| C31 | C32 | C35 | 112.8° | 108.3° |
| C32 | C31 | H58 | 108.9° | 109.5° |
| C32 | C31 | H59 | 108.9° | 109.4° |
| C31 | C32 | H60 | 108.6° | 109.7° |
| C31 | C32 | H61 | 108.6° | 109.7° |
| C29 | C33 | C34 | 114.5° | 108.3° |
| C33 | C29 | H57 | 109.0° | 109.4° |
| C29 | C33 | H63 | 108.2° | 109.6° |
| C29 | C33 | H62 | 108.2° | 109.6° |
| C33 | C34 | C35 | 117.6° | 124.1° |
| C33 | C34 | N38 | 134.4° | 129.2° |
| C34 | C33 | H63 | 108.2° | 109.7° |
| C34 | C33 | H62 | 108.2° | 109.7° |
| C32 | C35 | C34 | 117.6° | 124.3° |
| C32 | C35 | N36 | 134.2° | 129.2° |
| C35 | C32 | H60 | 108.6° | 109.7° |
| C35 | C32 | H61 | 108.7° | 109.7° |
| C34 | C35 | N36 | 108.3° | 106.4° |
| C35 | C34 | N38 | 108.0° | 106.7° |
| C35 | N36 | N37 | 107.5° | 108.0° |
| C35 | N36 | H64 | 126.2° | 126.0° |
| N36 | N37 | N38 | 108.5° | 110.2° |
| N37 | N36 | H64 | 126.2° | 126.0° |
| C34 | N38 | N37 | 107.7° | 108.6° |
| H40 | C01 | H39 | 109.5° | 108.6° |
| H41 | C02 | H42 | 109.5° | 107.9° |
| H44 | C04 | H43 | 109.5° | 109.3° |
| H46 | C05 | H45 | 109.5° | 108.1° |
| H50 | C10 | H49 | 109.5° | 110.9° |
| H47 | C08 | H48 | 109.5° | 110.0° |
| H58 | C31 | H59 | 109.4° | 109.5° |
| H60 | C32 | H61 | 109.5° | 109.7° |
| H63 | C33 | H62 | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | N03 | H40 | 120.3° | 121.0° |
| C02 | C01 | N03 | H39 | 120.3° | 120.9° |
| C02 | C01 | N03 | C04 | 86.0° | 74.4° |
| C01 | C02 | C06 | H41 | 121.1° | 121.7° |
| C01 | C02 | C06 | H42 | 121.1° | 121.8° |
| C01 | C02 | C06 | C07 | 12.7° | 37.9° |
| C01 | C02 | C06 | C10 | 136.2° | 161.3° |
| C02 | C01 | N03 | C13 | 89.9° | 105.6° |
| C02 | C01 | H40 | H39 | 119.1° | 118.2° |
| C01 | C02 | H41 | H42 | 116.7° | 116.5° |
| C01 | C02 | C06 | H12 | 107.8° | 83.2° |
| C01 | N03 | C04 | C13 | 175.9° | 179.9° |
| C01 | N03 | C04 | C05 | 79.4° | 62.1° |
| N03 | C01 | C02 | C06 | 57.6° | 78.0° |
| C01 | N03 | C13 | C14 | 3.0° | 4.4° |
| C01 | N03 | C13 | O15 | 179.8° | 175.5° |
| N03 | C01 | H40 | H39 | 119.1° | 118.1° |
| N03 | C01 | C02 | H41 | 178.7° | 160.2° |
| N03 | C01 | C02 | H42 | 63.5° | 43.7° |
| C01 | N03 | C04 | H44 | 161.0° | 177.7° |
| C01 | N03 | C04 | H43 | 40.1° | 58.1° |
| N03 | C04 | C05 | H44 | 119.5° | 120.2° |
| N03 | C04 | C05 | H43 | 119.5° | 120.2° |
| N03 | C04 | C05 | C07 | 67.4° | 74.4° |
| C04 | N03 | C13 | C14 | 179.4° | 175.5° |
| C04 | N03 | C13 | O15 | 3.4° | 4.6° |
| C04 | N03 | C01 | H40 | 153.7° | 164.6° |
| C04 | N03 | C01 | H39 | 34.3° | 46.6° |
| N03 | C04 | H44 | H43 | 121.4° | 119.6° |
| N03 | C04 | C05 | H46 | 53.0° | 47.0° |
| N03 | C04 | C05 | H45 | 172.3° | 164.2° |
| C04 | C05 | C07 | H46 | 120.4° | 121.4° |
| C04 | C05 | C07 | H45 | 120.4° | 121.4° |
| C04 | C05 | C07 | C06 | 79.6° | 81.4° |
| C04 | C05 | C07 | C08 | 161.5° | 161.0° |
| C05 | C04 | N03 | C13 | 96.5° | 117.8° |
| C05 | C04 | H44 | H43 | 121.4° | 119.7° |
| C04 | C05 | H46 | H45 | 119.0° | 117.3° |
| C04 | C05 | C07 | H11 | 45.3° | 42.7° |
| C02 | C06 | C07 | C05 | 48.3° | 31.7° |
| C02 | C06 | C07 | C10 | 129.0° | 127.5° |
| C02 | C06 | C07 | H12 | 120.3° | 121.2° |
| C02 | C06 | C07 | C08 | 170.7° | 151.6° |
| C02 | C06 | C10 | H12 | 115.8° | 116.3° |
| C02 | C06 | C10 | N09 | 169.1° | 170.1° |
| C06 | C02 | C01 | H40 | 177.9° | 161.0° |
| C06 | C02 | C01 | H39 | 62.7° | 42.9° |
| C06 | C02 | H41 | H42 | 116.6° | 116.6° |
| C02 | C06 | C07 | H11 | 76.4° | 92.4° |
| C02 | C06 | C10 | H50 | 72.0° | 71.6° |
| C02 | C06 | C10 | H49 | 50.2° | 51.9° |
| C05 | C07 | C06 | C08 | 122.4° | 119.9° |
| C05 | C07 | C06 | H11 | 124.7° | 124.1° |
| C05 | C07 | C08 | H11 | 116.2° | 118.8° |
| C05 | C07 | C08 | N09 | 98.7° | 123.5° |
| C05 | C07 | C06 | C10 | 80.7° | 95.8° |
| C07 | C05 | C04 | H44 | 173.1° | 165.4° |
| C07 | C05 | C04 | H43 | 52.1° | 45.8° |
| C07 | C05 | H46 | H45 | 118.9° | 117.3° |
| C05 | C07 | C06 | H12 | 168.6° | 152.9° |
| C05 | C07 | C08 | H47 | 20.3° | 4.2° |
| C05 | C07 | C08 | H48 | 142.3° | 117.1° |
| C06 | C07 | C08 | H11 | 113.3° | 116.5° |
| C06 | C07 | C08 | N09 | 31.9° | 1.2° |
| C07 | C06 | C10 | H12 | 110.9° | 112.0° |
| C07 | C06 | C10 | N09 | 35.8° | 38.4° |
| C07 | C06 | C02 | H41 | 133.8° | 159.6° |
| C07 | C06 | C02 | H42 | 108.4° | 83.9° |
| C06 | C07 | C05 | H46 | 40.7° | 40.0° |
| C06 | C07 | C05 | H45 | 160.0° | 157.2° |
| C07 | C06 | C10 | H50 | 154.7° | 156.7° |
| C07 | C06 | C10 | H49 | 83.1° | 79.8° |
| C06 | C07 | C08 | H47 | 150.9° | 120.5° |
| C06 | C07 | C08 | H48 | 87.1° | 118.2° |
| C07 | C08 | N09 | H47 | 119.0° | 119.3° |
| C07 | C08 | N09 | H48 | 119.0° | 119.4° |
| C08 | C07 | C06 | C10 | 41.7° | 24.1° |
| C07 | C08 | N09 | C10 | 9.7° | 23.4° |
| C07 | C08 | N09 | C28 | 170.0° | 156.5° |
| C08 | C07 | C05 | H46 | 78.1° | 77.6° |
| C08 | C07 | C05 | H45 | 41.1° | 39.6° |
| C08 | C07 | C06 | H12 | 69.1° | 87.2° |
| C07 | C08 | H47 | H48 | 122.8° | 121.2° |
| C08 | N09 | C10 | C06 | 16.2° | 38.1° |
| C08 | N09 | C10 | C28 | 179.7° | 179.9° |
| C08 | N09 | C28 | C29 | 179.4° | 176.3° |
| C08 | N09 | C28 | O30 | 0.8° | 3.6° |
| N09 | C08 | C07 | H11 | 145.2° | 117.6° |
| C08 | N09 | C10 | H50 | 135.1° | 156.3° |
| C08 | N09 | C10 | H49 | 102.7° | 80.2° |
| N09 | C08 | H47 | H48 | 122.8° | 121.3° |
| C06 | C10 | N09 | H50 | 118.9° | 118.2° |
| C06 | C10 | N09 | H49 | 118.9° | 118.2° |
| C06 | C10 | N09 | C28 | 164.1° | 141.8° |
| C10 | C06 | C02 | H41 | 102.7° | 77.0° |
| C10 | C06 | C02 | H42 | 15.1° | 39.5° |
| C10 | C06 | C07 | H11 | 154.7° | 140.1° |
| C06 | C10 | H50 | H49 | 123.1° | 123.6° |
| C10 | N09 | C28 | C29 | 1.0° | 3.8° |
| C10 | N09 | C28 | O30 | 179.6° | 176.3° |
| N09 | C10 | C06 | H12 | 75.1° | 73.6° |
| N09 | C10 | H50 | H49 | 123.1° | 123.5° |
| C10 | N09 | C08 | H47 | 128.7° | 95.9° |
| C10 | N09 | C08 | H48 | 109.4° | 142.8° |
| N03 | C13 | C14 | O15 | 177.2° | 179.9° |
| N03 | C13 | C14 | C16 | 178.6° | 179.0° |
| C13 | N03 | C01 | H40 | 30.4° | 15.4° |
| C13 | N03 | C01 | H39 | 149.8° | 133.5° |
| C13 | N03 | C04 | H44 | 23.0° | 2.3° |
| C13 | N03 | C04 | H43 | 144.0° | 122.0° |
| N03 | C13 | C14 | H51 | 1.4° | 0.8° |
| C13 | C14 | C16 | H51 | 180.0° | 179.9° |
| C13 | C14 | C16 | C17 | 179.0° | 179.9° |
| C13 | C14 | C16 | H52 | 1.1° | 0.1° |
| O15 | C13 | C14 | C16 | 1.4° | 1.1° |
| O15 | C13 | C14 | H51 | 178.6° | 179.1° |
| C14 | C16 | C17 | H52 | 180.0° | 180.0° |
| C14 | C16 | C17 | C18 | 162.1° | 180.0° |
| C14 | C16 | C17 | C22 | 20.1° | 0.3° |
| C16 | C17 | C18 | C22 | 177.8° | 179.7° |
| C16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C16 | C17 | C22 | C21 | 179.6° | 179.7° |
| C16 | C17 | C18 | H53 | 0.1° | 0.0° |
| C16 | C17 | C22 | H56 | 0.4° | 0.0° |
| C17 | C16 | C14 | H51 | 1.1° | 0.1° |
| C17 | C18 | C19 | H53 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.8° | 0.0° |
| C18 | C17 | C22 | C21 | 1.9° | 0.6° |
| C18 | C17 | C16 | H52 | 18.0° | 0.0° |
| C17 | C18 | C19 | H54 | 179.2° | 180.0° |
| C18 | C17 | C22 | H56 | 178.2° | 179.7° |
| C18 | C19 | C20 | H54 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.0° |
| C19 | C18 | C17 | C22 | 2.1° | 0.3° |
| C18 | C19 | C20 | O23 | 179.7° | 180.0° |
| C19 | C20 | C21 | O23 | 179.6° | 179.9° |
| C19 | C20 | C21 | C22 | 1.0° | 0.4° |
| C19 | C20 | O23 | C24 | 67.4° | 180.0° |
| C20 | C19 | C18 | H53 | 179.2° | 180.0° |
| C19 | C20 | C21 | H55 | 179.1° | 179.9° |
| C20 | C21 | C22 | C17 | 0.3° | 0.7° |
| C20 | C21 | C22 | H55 | 180.0° | 179.7° |
| C21 | C20 | O23 | C24 | 112.3° | 0.0° |
| C21 | C20 | C19 | H54 | 179.3° | 180.0° |
| C20 | C21 | C22 | H56 | 179.7° | 179.7° |
| C17 | C22 | C21 | H56 | 180.0° | 179.7° |
| C22 | C17 | C16 | H52 | 159.8° | 179.7° |
| C22 | C17 | C18 | H53 | 177.9° | 179.7° |
| C17 | C22 | C21 | H55 | 179.7° | 179.6° |
| C22 | C21 | C20 | O23 | 179.4° | 179.7° |
| C20 | O23 | C24 | F25 | 178.8° | 60.0° |
| C20 | O23 | C24 | F26 | 55.6° | 180.0° |
| C20 | O23 | C24 | F27 | 62.0° | 60.0° |
| O23 | C20 | C19 | H54 | 0.3° | 0.0° |
| O23 | C20 | C21 | H55 | 0.6° | 0.0° |
| O23 | C24 | F25 | F26 | 121.4° | 120.0° |
| O23 | C24 | F25 | F27 | 118.1° | 120.0° |
| O23 | C24 | F26 | F27 | 116.5° | 120.0° |
| F25 | C24 | F26 | F27 | 120.5° | 120.0° |
| N09 | C28 | C29 | O30 | 178.6° | 179.9° |
| N09 | C28 | C29 | C31 | 104.5° | 156.3° |
| N09 | C28 | C29 | C33 | 127.3° | 83.5° |
| C28 | N09 | C10 | H50 | 45.2° | 23.6° |
| C28 | N09 | C10 | H49 | 77.0° | 99.9° |
| C28 | N09 | C08 | H47 | 51.0° | 84.1° |
| C28 | N09 | C08 | H48 | 71.0° | 37.1° |
| N09 | C28 | C29 | H57 | 11.3° | 36.4° |
| C28 | C29 | C31 | C33 | 118.5° | 120.1° |
| C28 | C29 | C31 | H57 | 115.1° | 119.9° |
| C28 | C29 | C31 | C32 | 177.5° | 169.9° |
| C28 | C29 | C33 | H57 | 115.1° | 119.9° |
| C28 | C29 | C33 | C34 | 149.0° | 169.9° |
| C28 | C29 | C31 | H58 | 57.1° | 70.1° |
| C28 | C29 | C31 | H59 | 62.2° | 49.8° |
| C28 | C29 | C33 | H63 | 90.3° | 70.4° |
| C28 | C29 | C33 | H62 | 28.2° | 50.1° |
| O30 | C28 | C29 | C31 | 74.1° | 23.7° |
| O30 | C28 | C29 | C33 | 54.1° | 96.4° |
| O30 | C28 | C29 | H57 | 170.2° | 143.6° |
| C29 | C31 | C32 | H58 | 120.3° | 120.0° |
| C29 | C31 | C32 | H59 | 120.4° | 120.0° |
| C31 | C29 | C33 | H57 | 126.2° | 120.0° |
| C31 | C29 | C33 | C34 | 30.3° | 49.8° |
| C29 | C31 | C32 | C35 | 53.3° | 49.7° |
| C29 | C31 | H58 | H59 | 119.0° | 119.9° |
| C29 | C31 | C32 | H60 | 173.8° | 169.4° |
| C29 | C31 | C32 | H61 | 67.2° | 70.0° |
| C31 | C29 | C33 | H63 | 151.0° | 169.5° |
| C31 | C29 | C33 | H62 | 90.5° | 69.9° |
| C32 | C31 | C29 | C33 | 59.0° | 70.0° |
| C31 | C32 | C35 | H60 | 120.5° | 119.7° |
| C31 | C32 | C35 | H61 | 120.5° | 119.7° |
| C31 | C32 | C35 | C34 | 26.9° | 16.5° |
| C31 | C32 | C35 | N36 | 153.2° | 163.6° |
| C32 | C31 | C29 | H57 | 67.4° | 50.0° |
| C32 | C31 | H58 | H59 | 119.0° | 119.9° |
| C31 | C32 | H60 | H61 | 118.5° | 120.6° |
| C29 | C33 | C34 | H63 | 120.8° | 119.7° |
| C29 | C33 | C34 | H62 | 120.7° | 119.7° |
| C29 | C33 | C34 | C35 | 1.5° | 16.6° |
| C29 | C33 | C34 | N38 | 179.8° | 163.5° |
| C33 | C29 | C31 | H58 | 61.4° | 50.0° |
| C33 | C29 | C31 | H59 | 179.3° | 169.9° |
| C29 | C33 | H63 | H62 | 117.7° | 120.5° |
| C33 | C34 | C35 | C32 | 0.5° | 0.1° |
| C33 | C34 | C35 | N38 | 179.0° | 180.0° |
| C33 | C34 | C35 | N36 | 179.5° | 179.8° |
| C33 | C34 | N38 | N37 | 179.1° | 179.9° |
| C34 | C33 | C29 | H57 | 95.9° | 70.2° |
| C34 | C33 | H63 | H62 | 117.7° | 120.6° |
| C32 | C35 | C34 | N36 | 180.0° | 180.0° |
| C32 | C35 | N36 | N37 | 179.7° | 179.9° |
| C32 | C35 | C34 | N38 | 179.6° | 179.9° |
| C35 | C32 | C31 | H58 | 67.0° | 70.3° |
| C35 | C32 | C31 | H59 | 173.7° | 169.8° |
| C35 | C32 | H60 | H61 | 118.5° | 120.6° |
| C32 | C35 | N36 | H64 | 0.3° | 0.1° |
| C34 | C35 | N36 | N37 | 0.3° | 0.1° |
| C35 | C34 | N38 | N37 | 0.3° | 0.2° |
| C34 | C35 | C32 | H60 | 147.4° | 136.2° |
| C34 | C35 | C32 | H61 | 93.6° | 103.2° |
| C35 | C34 | C33 | H63 | 122.3° | 136.2° |
| C35 | C34 | C33 | H62 | 119.2° | 103.1° |
| C34 | C35 | N36 | H64 | 179.6° | 179.9° |
| C35 | N36 | N37 | H64 | 180.0° | 180.0° |
| N36 | C35 | C34 | N38 | 0.4° | 0.2° |
| C35 | N36 | N37 | N38 | 0.1° | 0.0° |
| N36 | C35 | C32 | H60 | 32.7° | 43.9° |
| N36 | C35 | C32 | H61 | 86.3° | 76.8° |
| N36 | N37 | N38 | C34 | 0.1° | 0.1° |
| N38 | C34 | C33 | H63 | 59.0° | 43.8° |
| N38 | C34 | C33 | H62 | 59.5° | 76.8° |
| N38 | N37 | N36 | H64 | 179.8° | 180.0° |
| H40 | C01 | C02 | H41 | 61.0° | 39.2° |
| H40 | C01 | C02 | H42 | 56.8° | 77.2° |
| H39 | C01 | C02 | H41 | 58.3° | 78.9° |
| H39 | C01 | C02 | H42 | 176.2° | 164.7° |
| H41 | C02 | C06 | H12 | 13.3° | 38.5° |
| H42 | C02 | C06 | H12 | 131.1° | 155.0° |
| H44 | C04 | C05 | H46 | 66.5° | 73.1° |
| H44 | C04 | C05 | H45 | 52.8° | 44.0° |
| H43 | C04 | C05 | H46 | 172.5° | 167.2° |
| H43 | C04 | C05 | H45 | 68.2° | 75.7° |
| H46 | C05 | C07 | H11 | 165.6° | 164.1° |
| H45 | C05 | C07 | H11 | 75.1° | 78.8° |
| H12 | C06 | C07 | H11 | 43.9° | 28.8° |
| H12 | C06 | C10 | H50 | 43.9° | 44.6° |
| H12 | C06 | C10 | H49 | 166.0° | 168.2° |
| H11 | C07 | C08 | H47 | 95.8° | 123.0° |
| H11 | C07 | C08 | H48 | 26.1° | 1.8° |
| H52 | C16 | C14 | H51 | 178.9° | 179.9° |
| H53 | C18 | C19 | H54 | 0.8° | 0.0° |
| H55 | C21 | C22 | H56 | 0.3° | 0.0° |
| H57 | C29 | C31 | H58 | 172.3° | 170.0° |
| H57 | C29 | C31 | H59 | 52.9° | 70.1° |
| H57 | C29 | C33 | H63 | 24.8° | 49.5° |
| H57 | C29 | C33 | H62 | 143.3° | 170.1° |
| H58 | C31 | C32 | H60 | 53.5° | 49.4° |
| H58 | C31 | C32 | H61 | 172.5° | 170.0° |
| H59 | C31 | C32 | H60 | 65.8° | 70.5° |
| H59 | C31 | C32 | H61 | 53.2° | 50.1° |
