YD0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.50Å | 1.48Å | |
| C01 | N03 | sing | 1.46Å | 1.37Å | |
| N03 | C04 | sing | 1.44Å | 1.35Å | |
| C04 | C05 | sing | 1.52Å | 1.47Å | |
| C02 | C06 | sing | 1.49Å | 1.50Å | |
| C05 | C07 | sing | 1.50Å | 1.65Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C07 | C08 | sing | 1.55Å | 1.48Å | |
| C08 | N09 | sing | 1.48Å | 1.48Å | |
| C06 | C10 | sing | 1.54Å | 1.48Å | |
| N09 | C10 | sing | 1.49Å | 1.55Å | |
| N03 | C13 | sing | 1.35Å | 1.48Å | |
| C13 | C14 | sing | 1.46Å | 1.54Å | |
| C13 | O15 | doub | 1.22Å | 1.22Å | |
| C14 | C16 | doub | 1.35Å | 1.41Å | |
| C16 | C17 | sing | 1.47Å | 1.53Å | |
| C17 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | O23 | sing | 1.36Å | 1.39Å | |
| O23 | C24 | sing | 1.43Å | 1.37Å | |
| C24 | F25 | sing | 1.40Å | 1.34Å | |
| C24 | F26 | sing | 1.40Å | 1.32Å | |
| C24 | F27 | sing | 1.40Å | 1.32Å | |
| N09 | C28 | sing | 1.35Å | 1.51Å | |
| C28 | N29 | sing | 1.35Å | 1.49Å | |
| C28 | O30 | doub | 1.21Å | 1.22Å | |
| N29 | C31 | sing | 1.47Å | 1.44Å | |
| C31 | C32 | sing | 1.53Å | 1.43Å | |
| N29 | C33 | sing | 1.47Å | 1.38Å | |
| C33 | C34 | sing | 1.51Å | 1.57Å | |
| C32 | C35 | sing | 1.51Å | 1.54Å | |
| C34 | C35 | doub | 1.35Å | 1.50Å | Aromatic |
| C35 | N36 | sing | 1.34Å | 1.36Å | Aromatic |
| N36 | N37 | sing | 1.40Å | 1.46Å | Aromatic |
| C34 | C38 | sing | 1.39Å | 1.38Å | Aromatic |
| N37 | C38 | doub | 1.30Å | 1.44Å | 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 | H48 | sing | 1.09Å | 1.10Å | |
| C08 | H47 | sing | 1.09Å | 1.10Å | |
| C14 | H51 | sing | 1.08Å | 1.08Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H59 | sing | 1.09Å | 1.10Å | |
| C33 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| N36 | H63 | sing | 0.97Å | 1.00Å | |
| C38 | H64 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | N03 | 114.1° | 113.3° |
| C01 | C02 | C06 | 117.8° | 116.5° |
| C02 | C01 | H40 | 108.3° | 108.7° |
| C02 | C01 | H39 | 108.3° | 108.7° |
| C01 | C02 | H41 | 107.4° | 108.0° |
| C01 | C02 | H42 | 107.3° | 108.0° |
| C01 | N03 | C04 | 130.3° | 121.3° |
| C01 | N03 | C13 | 116.0° | 119.4° |
| N03 | C01 | H40 | 108.3° | 108.7° |
| N03 | C01 | H39 | 108.3° | 108.7° |
| N03 | C04 | C05 | 117.6° | 110.1° |
| C04 | N03 | C13 | 113.7° | 119.3° |
| N03 | C04 | H44 | 107.4° | 109.4° |
| N03 | C04 | H43 | 107.4° | 109.3° |
| C04 | C05 | C07 | 114.1° | 115.0° |
| C05 | C04 | H44 | 107.4° | 109.4° |
| C05 | C04 | H43 | 107.4° | 109.3° |
| C04 | C05 | H46 | 108.3° | 108.4° |
| C04 | C05 | H45 | 108.3° | 108.4° |
| C02 | C06 | C07 | 120.7° | 119.9° |
| C02 | C06 | C10 | 108.3° | 112.9° |
| C06 | C02 | H41 | 107.3° | 108.1° |
| C06 | C02 | H42 | 107.4° | 108.1° |
| C02 | C06 | H12 | 109.0° | 106.8° |
| C05 | C07 | C06 | 118.7° | 116.1° |
| C05 | C07 | C08 | 116.7° | 108.8° |
| C07 | C05 | H46 | 108.3° | 108.4° |
| C07 | C05 | H45 | 108.3° | 108.4° |
| C05 | C07 | H11 | 105.3° | 109.2° |
| C06 | C07 | C08 | 101.6° | 104.6° |
| C07 | C06 | C10 | 100.2° | 104.2° |
| C07 | C06 | H12 | 108.7° | 106.5° |
| C06 | C07 | H11 | 106.6° | 109.2° |
| C07 | C08 | N09 | 105.3° | 106.9° |
| C08 | C07 | H11 | 107.1° | 108.6° |
| C07 | C08 | H48 | 110.5° | 110.0° |
| C07 | C08 | H47 | 110.5° | 110.0° |
| C08 | N09 | C10 | 105.6° | 106.1° |
| C08 | N09 | C28 | 120.9° | 127.0° |
| N09 | C08 | H48 | 110.5° | 110.0° |
| N09 | C08 | H47 | 110.5° | 109.9° |
| C06 | C10 | N09 | 101.8° | 102.4° |
| C10 | C06 | H12 | 109.3° | 105.5° |
| C06 | C10 | H50 | 111.3° | 110.8° |
| C06 | C10 | H49 | 111.4° | 110.9° |
| C10 | N09 | C28 | 133.4° | 127.0° |
| N09 | C10 | H50 | 111.4° | 110.7° |
| N09 | C10 | H49 | 111.3° | 110.9° |
| N03 | C13 | C14 | 121.2° | 120.0° |
| N03 | C13 | O15 | 120.5° | 120.0° |
| C14 | C13 | O15 | 118.3° | 120.0° |
| C13 | C14 | C16 | 121.2° | 120.0° |
| C13 | C14 | H51 | 119.4° | 120.0° |
| C14 | C16 | C17 | 117.5° | 120.0° |
| C14 | C16 | H52 | 121.2° | 120.0° |
| C16 | C14 | H51 | 119.4° | 120.0° |
| C16 | C17 | C18 | 118.4° | 120.1° |
| C16 | C17 | C22 | 120.1° | 120.1° |
| C17 | C16 | H52 | 121.3° | 120.0° |
| C17 | C18 | C19 | 119.4° | 119.9° |
| C18 | C17 | C22 | 121.5° | 119.8° |
| C17 | C18 | H53 | 120.3° | 120.1° |
| C18 | C19 | C20 | 119.6° | 120.1° |
| C19 | C18 | H53 | 120.3° | 120.0° |
| C18 | C19 | H54 | 120.2° | 119.9° |
| C19 | C20 | C21 | 121.2° | 120.2° |
| C19 | C20 | O23 | 116.7° | 119.9° |
| C20 | C19 | H54 | 120.2° | 120.0° |
| C20 | C21 | C22 | 119.2° | 120.1° |
| C21 | C20 | O23 | 122.1° | 119.9° |
| C20 | C21 | H55 | 120.4° | 120.0° |
| C17 | C22 | C21 | 119.2° | 119.9° |
| C17 | C22 | H56 | 120.4° | 120.1° |
| C22 | C21 | H55 | 120.4° | 119.9° |
| C21 | C22 | H56 | 120.4° | 120.0° |
| C20 | O23 | C24 | 124.9° | 117.0° |
| O23 | C24 | F25 | 105.3° | 109.4° |
| O23 | C24 | F26 | 113.1° | 109.4° |
| O23 | C24 | F27 | 107.9° | 109.5° |
| F25 | C24 | F26 | 110.5° | 109.5° |
| F25 | C24 | F27 | 111.7° | 109.5° |
| F26 | C24 | F27 | 108.4° | 109.5° |
| N09 | C28 | N29 | 129.5° | 120.0° |
| N09 | C28 | O30 | 113.5° | 120.0° |
| N29 | C28 | O30 | 117.0° | 120.0° |
| C28 | N29 | C31 | 121.9° | 120.8° |
| C28 | N29 | C33 | 124.6° | 120.8° |
| N29 | C31 | C32 | 117.2° | 109.2° |
| C31 | N29 | C33 | 113.4° | 118.4° |
| N29 | C31 | H58 | 107.5° | 109.5° |
| N29 | C31 | H57 | 107.5° | 109.5° |
| C31 | C32 | C35 | 116.6° | 108.8° |
| C32 | C31 | H58 | 107.5° | 109.6° |
| C32 | C31 | H57 | 107.5° | 109.6° |
| C31 | C32 | H60 | 107.7° | 109.6° |
| C31 | C32 | H59 | 107.6° | 109.6° |
| N29 | C33 | C34 | 108.8° | 107.2° |
| N29 | C33 | H61 | 109.7° | 109.9° |
| N29 | C33 | H62 | 109.7° | 109.9° |
| C33 | C34 | C35 | 114.7° | 124.0° |
| C33 | C34 | C38 | 136.9° | 128.0° |
| C34 | C33 | H61 | 109.6° | 109.9° |
| C34 | C33 | H62 | 109.6° | 110.0° |
| C32 | C35 | C34 | 117.2° | 124.5° |
| C32 | C35 | N36 | 135.1° | 127.8° |
| C35 | C32 | H60 | 107.7° | 109.6° |
| C35 | C32 | H59 | 107.7° | 109.6° |
| C34 | C35 | N36 | 107.7° | 107.7° |
| C35 | C34 | C38 | 108.4° | 108.0° |
| C35 | N36 | N37 | 108.1° | 107.9° |
| C35 | N36 | H63 | 125.9° | 126.1° |
| N36 | N37 | C38 | 108.3° | 108.0° |
| N37 | N36 | H63 | 126.0° | 126.0° |
| C34 | C38 | N37 | 107.5° | 108.5° |
| C34 | C38 | H64 | 126.2° | 126.0° |
| N37 | C38 | H64 | 126.3° | 125.6° |
| H40 | C01 | H39 | 109.5° | 108.6° |
| H41 | C02 | H42 | 109.5° | 107.9° |
| H44 | C04 | H43 | 109.5° | 109.2° |
| H46 | C05 | H45 | 109.4° | 108.1° |
| H50 | C10 | H49 | 109.5° | 110.9° |
| H48 | C08 | H47 | 109.5° | 110.0° |
| H58 | C31 | H57 | 109.5° | 109.5° |
| H60 | C32 | H59 | 109.5° | 109.7° |
| H61 | C33 | H62 | 109.4° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | N03 | H40 | 120.7° | 121.0° |
| C02 | C01 | N03 | H39 | 120.7° | 121.0° |
| C02 | C01 | N03 | C04 | 1.7° | 74.4° |
| C01 | C02 | C06 | H41 | 121.2° | 121.7° |
| C01 | C02 | C06 | H42 | 121.2° | 121.7° |
| C01 | C02 | C06 | C07 | 70.0° | 37.8° |
| C01 | C02 | C06 | C10 | 44.4° | 161.3° |
| C02 | C01 | N03 | C13 | 179.8° | 105.6° |
| C02 | C01 | H40 | H39 | 117.9° | 118.2° |
| C01 | C02 | H41 | H42 | 116.2° | 116.6° |
| C01 | C02 | C06 | H12 | 163.2° | 83.2° |
| C01 | N03 | C04 | C13 | 178.5° | 180.0° |
| C01 | N03 | C04 | C05 | 70.4° | 62.1° |
| N03 | C01 | C02 | C06 | 63.9° | 78.1° |
| C01 | N03 | C13 | C14 | 0.1° | 5.4° |
| C01 | N03 | C13 | O15 | 179.6° | 174.6° |
| N03 | C01 | H40 | H39 | 117.9° | 118.1° |
| N03 | C01 | C02 | H41 | 57.3° | 160.2° |
| N03 | C01 | C02 | H42 | 174.9° | 43.7° |
| C01 | N03 | C04 | H44 | 168.5° | 177.7° |
| C01 | N03 | C04 | H43 | 50.7° | 58.1° |
| N03 | C04 | C05 | H44 | 121.1° | 120.3° |
| N03 | C04 | C05 | H43 | 121.2° | 120.2° |
| N03 | C04 | C05 | C07 | 70.0° | 74.3° |
| C04 | N03 | C13 | C14 | 178.8° | 174.5° |
| C04 | N03 | C13 | O15 | 0.9° | 5.4° |
| C04 | N03 | C01 | H40 | 122.4° | 164.6° |
| C04 | N03 | C01 | H39 | 118.9° | 46.6° |
| N03 | C04 | H44 | H43 | 116.3° | 119.6° |
| N03 | C04 | C05 | H46 | 50.7° | 47.1° |
| N03 | C04 | C05 | H45 | 169.3° | 164.2° |
| C04 | C05 | C07 | H46 | 120.7° | 121.4° |
| C04 | C05 | C07 | H45 | 120.7° | 121.5° |
| C04 | C05 | C07 | C06 | 39.1° | 81.4° |
| C04 | C05 | C07 | C08 | 161.2° | 161.0° |
| C05 | C04 | N03 | C13 | 111.1° | 117.9° |
| C05 | C04 | H44 | H43 | 116.3° | 119.6° |
| C04 | C05 | H46 | H45 | 117.9° | 117.3° |
| C04 | C05 | C07 | H11 | 80.1° | 42.6° |
| C02 | C06 | C07 | C05 | 39.3° | 31.7° |
| C02 | C06 | C07 | C10 | 118.5° | 127.5° |
| C02 | C06 | C07 | H12 | 126.9° | 121.2° |
| C02 | C06 | C07 | C08 | 168.7° | 151.6° |
| C02 | C06 | C10 | H12 | 118.6° | 116.3° |
| C02 | C06 | C10 | N09 | 171.3° | 170.2° |
| C06 | C02 | C01 | H40 | 56.8° | 161.0° |
| C06 | C02 | C01 | H39 | 175.5° | 42.9° |
| C06 | C02 | H41 | H42 | 116.2° | 116.6° |
| C02 | C06 | C07 | H11 | 79.3° | 92.3° |
| C02 | C06 | C10 | H50 | 69.9° | 71.7° |
| C02 | C06 | C10 | H49 | 52.5° | 51.9° |
| C05 | C07 | C06 | C08 | 129.4° | 119.9° |
| C05 | C07 | C06 | H11 | 118.6° | 124.0° |
| C05 | C07 | C08 | H11 | 117.7° | 118.8° |
| C05 | C07 | C08 | N09 | 95.1° | 123.6° |
| C05 | C07 | C06 | C10 | 79.2° | 95.8° |
| C07 | C05 | C04 | H44 | 168.8° | 165.4° |
| C07 | C05 | C04 | H43 | 51.1° | 45.8° |
| C07 | C05 | H46 | H45 | 117.9° | 117.3° |
| C05 | C07 | C06 | H12 | 166.2° | 152.9° |
| C05 | C07 | C08 | H48 | 24.2° | 4.3° |
| C05 | C07 | C08 | H47 | 145.6° | 117.1° |
| C06 | C07 | C08 | H11 | 111.6° | 116.5° |
| C06 | C07 | C08 | N09 | 35.6° | 1.1° |
| C07 | C06 | C10 | H12 | 114.1° | 112.0° |
| C07 | C06 | C10 | N09 | 44.0° | 38.5° |
| C07 | C06 | C02 | H41 | 51.2° | 159.6° |
| C07 | C06 | C02 | H42 | 168.8° | 83.9° |
| C06 | C07 | C05 | H46 | 81.5° | 40.0° |
| C06 | C07 | C05 | H45 | 159.9° | 157.2° |
| C07 | C06 | C10 | H50 | 162.8° | 156.6° |
| C07 | C06 | C10 | H49 | 74.7° | 79.8° |
| C06 | C07 | C08 | H48 | 154.9° | 120.5° |
| C06 | C07 | C08 | H47 | 83.8° | 118.2° |
| C07 | C08 | N09 | H48 | 119.3° | 119.4° |
| C07 | C08 | N09 | H47 | 119.4° | 119.4° |
| C08 | C07 | C06 | C10 | 50.2° | 24.1° |
| C07 | C08 | N09 | C10 | 8.3° | 23.5° |
| C07 | C08 | N09 | C28 | 173.2° | 156.6° |
| C08 | C07 | C05 | H46 | 40.5° | 77.6° |
| C08 | C07 | C05 | H45 | 78.0° | 39.6° |
| C08 | C07 | C06 | H12 | 64.4° | 87.2° |
| C07 | C08 | H48 | H47 | 121.9° | 121.3° |
| C08 | N09 | C10 | C06 | 23.0° | 38.2° |
| C08 | N09 | C10 | C28 | 178.3° | 179.9° |
| C08 | N09 | C28 | N29 | 178.4° | 0.7° |
| C08 | N09 | C28 | O30 | 0.7° | 179.2° |
| N09 | C08 | C07 | H11 | 147.2° | 117.6° |
| C08 | N09 | C10 | H50 | 141.7° | 156.3° |
| C08 | N09 | C10 | H49 | 95.8° | 80.1° |
| N09 | C08 | H48 | H47 | 121.9° | 121.2° |
| C06 | C10 | N09 | H50 | 118.8° | 118.1° |
| C06 | C10 | N09 | H49 | 118.8° | 118.3° |
| C06 | C10 | N09 | C28 | 155.4° | 141.9° |
| C10 | C06 | C02 | H41 | 165.6° | 77.0° |
| C10 | C06 | C02 | H42 | 76.8° | 39.5° |
| C10 | C06 | C07 | H11 | 162.2° | 140.2° |
| C06 | C10 | H50 | H49 | 123.5° | 123.6° |
| C10 | N09 | C28 | N29 | 0.3° | 179.2° |
| C10 | N09 | C28 | O30 | 178.9° | 0.9° |
| N09 | C10 | C06 | H12 | 70.1° | 73.5° |
| N09 | C10 | H50 | H49 | 123.6° | 123.5° |
| C10 | N09 | C08 | H48 | 127.6° | 95.9° |
| C10 | N09 | C08 | H47 | 111.1° | 142.8° |
| N03 | C13 | C14 | O15 | 179.7° | 180.0° |
| N03 | C13 | C14 | C16 | 154.8° | 175.1° |
| C13 | N03 | C01 | H40 | 59.1° | 15.4° |
| C13 | N03 | C01 | H39 | 59.5° | 133.4° |
| C13 | N03 | C04 | H44 | 10.0° | 2.4° |
| C13 | N03 | C04 | H43 | 127.7° | 121.9° |
| N03 | C13 | C14 | H51 | 25.2° | 4.9° |
| C13 | C14 | C16 | H51 | 180.0° | 180.0° |
| C13 | C14 | C16 | C17 | 163.2° | 180.0° |
| C13 | C14 | C16 | H52 | 16.8° | 0.0° |
| O15 | C13 | C14 | C16 | 24.8° | 4.9° |
| O15 | C13 | C14 | H51 | 155.2° | 175.1° |
| C14 | C16 | C17 | H52 | 180.0° | 180.0° |
| C14 | C16 | C17 | C18 | 12.6° | 180.0° |
| C14 | C16 | C17 | C22 | 167.4° | 0.3° |
| C16 | C17 | C18 | C22 | 179.9° | 179.7° |
| C16 | C17 | C18 | C19 | 179.8° | 180.0° |
| C16 | C17 | C22 | C21 | 179.8° | 179.7° |
| C16 | C17 | C18 | H53 | 0.2° | 0.1° |
| C16 | C17 | C22 | H56 | 0.2° | 0.0° |
| C17 | C16 | C14 | H51 | 16.8° | 0.0° |
| C17 | C18 | C19 | H53 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C22 | C21 | 0.1° | 0.6° |
| C18 | C17 | C16 | H52 | 167.4° | 0.0° |
| C17 | C18 | C19 | H54 | 179.9° | 180.0° |
| C18 | C17 | C22 | H56 | 179.9° | 179.7° |
| C18 | C19 | C20 | H54 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.0° |
| C19 | C18 | C17 | C22 | 0.2° | 0.3° |
| C18 | C19 | C20 | O23 | 178.9° | 180.0° |
| C19 | C20 | C21 | O23 | 178.4° | 180.0° |
| C19 | C20 | C21 | C22 | 0.8° | 0.3° |
| C19 | C20 | O23 | C24 | 124.3° | 179.9° |
| C20 | C19 | C18 | H53 | 179.9° | 179.9° |
| C19 | C20 | C21 | H55 | 179.2° | 180.0° |
| C20 | C21 | C22 | C17 | 0.6° | 0.6° |
| C20 | C21 | C22 | H55 | 180.0° | 179.7° |
| C21 | C20 | O23 | C24 | 57.3° | 0.1° |
| C21 | C20 | C19 | H54 | 179.6° | 180.0° |
| C20 | C21 | C22 | H56 | 179.4° | 179.7° |
| C17 | C22 | C21 | H56 | 180.0° | 179.7° |
| C22 | C17 | C16 | H52 | 12.6° | 179.7° |
| C22 | C17 | C18 | H53 | 179.8° | 179.8° |
| C17 | C22 | C21 | H55 | 179.4° | 179.7° |
| C22 | C21 | C20 | O23 | 179.1° | 179.7° |
| C20 | O23 | C24 | F25 | 139.3° | 60.1° |
| C20 | O23 | C24 | F26 | 18.7° | 180.0° |
| C20 | O23 | C24 | F27 | 101.2° | 59.9° |
| O23 | C20 | C19 | H54 | 1.1° | 0.0° |
| O23 | C20 | C21 | H55 | 0.9° | 0.0° |
| O23 | C24 | F25 | F26 | 122.4° | 119.9° |
| O23 | C24 | F25 | F27 | 116.9° | 120.0° |
| O23 | C24 | F26 | F27 | 119.6° | 120.1° |
| F25 | C24 | F26 | F27 | 122.7° | 120.0° |
| N09 | C28 | N29 | O30 | 179.2° | 179.9° |
| N09 | C28 | N29 | C31 | 2.2° | 170.1° |
| N09 | C28 | N29 | C33 | 178.1° | 10.3° |
| C28 | N09 | C10 | H50 | 36.6° | 23.8° |
| C28 | N09 | C10 | H49 | 85.9° | 99.8° |
| C28 | N09 | C08 | H48 | 53.8° | 84.1° |
| C28 | N09 | C08 | H47 | 67.5° | 37.2° |
| C28 | N29 | C31 | C33 | 176.4° | 179.6° |
| C28 | N29 | C31 | C32 | 123.6° | 115.4° |
| C28 | N29 | C33 | C34 | 110.2° | 135.6° |
| C28 | N29 | C31 | H58 | 115.3° | 124.7° |
| C28 | N29 | C31 | H57 | 2.5° | 4.6° |
| C28 | N29 | C33 | H61 | 9.7° | 16.2° |
| C28 | N29 | C33 | H62 | 129.9° | 104.9° |
| O30 | C28 | N29 | C31 | 178.7° | 9.9° |
| O30 | C28 | N29 | C33 | 2.7° | 169.8° |
| N29 | C31 | C32 | H58 | 121.1° | 119.9° |
| N29 | C31 | C32 | H57 | 121.1° | 119.9° |
| C31 | N29 | C33 | C34 | 66.0° | 44.0° |
| N29 | C31 | C32 | C35 | 8.6° | 45.4° |
| N29 | C31 | H58 | H57 | 116.5° | 120.0° |
| N29 | C31 | C32 | H60 | 129.6° | 165.2° |
| N29 | C31 | C32 | H59 | 112.4° | 74.4° |
| C31 | N29 | C33 | H61 | 174.0° | 163.4° |
| C31 | N29 | C33 | H62 | 53.9° | 75.5° |
| C32 | C31 | N29 | C33 | 52.7° | 64.3° |
| C31 | C32 | C35 | H60 | 121.0° | 119.8° |
| C31 | C32 | C35 | H59 | 121.0° | 119.9° |
| C31 | C32 | C35 | C34 | 15.8° | 18.1° |
| C31 | C32 | C35 | N36 | 164.5° | 162.3° |
| C32 | C31 | H58 | H57 | 116.5° | 120.2° |
| C31 | C32 | H60 | H59 | 116.8° | 120.4° |
| N29 | C33 | C34 | H61 | 119.9° | 119.4° |
| N29 | C33 | C34 | H62 | 119.9° | 119.5° |
| N29 | C33 | C34 | C35 | 38.3° | 11.2° |
| N29 | C33 | C34 | C38 | 139.5° | 169.0° |
| C33 | N29 | C31 | H58 | 68.4° | 55.7° |
| C33 | N29 | C31 | H57 | 173.8° | 175.8° |
| N29 | C33 | H61 | H62 | 120.3° | 121.1° |
| C33 | C34 | C35 | C32 | 1.0° | 0.6° |
| C33 | C34 | C35 | C38 | 178.4° | 179.9° |
| C33 | C34 | C35 | N36 | 179.3° | 179.7° |
| C33 | C34 | C38 | N37 | 178.7° | 179.6° |
| C34 | C33 | H61 | H62 | 120.3° | 121.2° |
| C33 | C34 | C38 | H64 | 1.3° | 0.3° |
| C32 | C35 | C34 | N36 | 179.8° | 179.7° |
| C32 | C35 | N36 | N37 | 179.8° | 179.7° |
| C32 | C35 | C34 | C38 | 179.4° | 179.6° |
| C35 | C32 | C31 | H58 | 112.6° | 74.5° |
| C35 | C32 | C31 | H57 | 129.7° | 165.3° |
| C35 | C32 | H60 | H59 | 116.8° | 120.3° |
| C32 | C35 | N36 | H63 | 0.2° | 0.3° |
| C34 | C35 | N36 | N37 | 0.5° | 0.0° |
| C35 | C34 | C38 | N37 | 0.8° | 0.3° |
| C34 | C35 | C32 | H60 | 105.2° | 137.9° |
| C34 | C35 | C32 | H59 | 136.8° | 101.8° |
| C35 | C34 | C33 | H61 | 158.3° | 130.6° |
| C35 | C34 | C33 | H62 | 81.6° | 108.3° |
| C34 | C35 | N36 | H63 | 179.5° | 180.0° |
| C35 | C34 | C38 | H64 | 179.2° | 179.8° |
| C35 | N36 | N37 | H63 | 180.0° | 180.0° |
| N36 | C35 | C34 | C38 | 0.8° | 0.2° |
| C35 | N36 | N37 | C38 | 0.1° | 0.1° |
| N36 | C35 | C32 | H60 | 74.5° | 42.5° |
| N36 | C35 | C32 | H59 | 43.5° | 77.9° |
| N36 | N37 | C38 | C34 | 0.4° | 0.2° |
| N36 | N37 | C38 | H64 | 179.5° | 179.8° |
| C34 | C38 | N37 | H64 | 180.0° | 179.9° |
| C38 | C34 | C33 | H61 | 19.5° | 49.5° |
| C38 | C34 | C33 | H62 | 100.6° | 71.6° |
| C38 | N37 | N36 | H63 | 179.9° | 179.9° |
| H40 | C01 | C02 | H41 | 178.0° | 39.2° |
| H40 | C01 | C02 | H42 | 64.4° | 77.3° |
| H39 | C01 | C02 | H41 | 63.3° | 78.8° |
| H39 | C01 | C02 | H42 | 54.2° | 164.7° |
| H41 | C02 | C06 | H12 | 75.6° | 38.5° |
| H42 | C02 | C06 | H12 | 42.0° | 155.0° |
| H44 | C04 | C05 | H46 | 70.5° | 73.2° |
| H44 | C04 | C05 | H45 | 48.1° | 43.9° |
| H43 | C04 | C05 | H46 | 171.8° | 167.2° |
| H43 | C04 | C05 | H45 | 69.6° | 75.6° |
| H46 | C05 | C07 | H11 | 159.2° | 164.0° |
| H45 | C05 | C07 | H11 | 40.6° | 78.8° |
| H12 | C06 | C07 | H11 | 47.6° | 28.9° |
| H12 | C06 | C10 | H50 | 48.7° | 44.6° |
| H12 | C06 | C10 | H49 | 171.2° | 168.2° |
| H11 | C07 | C08 | H48 | 93.5° | 123.0° |
| H11 | C07 | C08 | H47 | 27.8° | 1.7° |
| H52 | C16 | C14 | H51 | 163.2° | 180.0° |
| H53 | C18 | C19 | H54 | 0.1° | 0.0° |
| H55 | C21 | C22 | H56 | 0.6° | 0.0° |
| H58 | C31 | C32 | H60 | 8.5° | 45.2° |
| H58 | C31 | C32 | H59 | 126.4° | 165.6° |
| H57 | C31 | C32 | H60 | 109.3° | 74.9° |
| H57 | C31 | C32 | H59 | 8.7° | 45.5° |






