KHL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N38 | C37 | sing | 1.38Å | 1.43Å | |
| N31 | C32 | sing | 1.35Å | 1.42Å | Aromatic |
| N31 | C30 | doub | 1.30Å | 1.35Å | Aromatic |
| C37 | C32 | doub | 1.40Å | 1.46Å | Aromatic |
| C37 | N36 | sing | 1.33Å | 1.37Å | Aromatic |
| C32 | C33 | sing | 1.41Å | 1.43Å | Aromatic |
| C30 | N29 | sing | 1.36Å | 1.41Å | Aromatic |
| O28 | C25 | sing | 1.43Å | 1.38Å | |
| N36 | C35 | doub | 1.32Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.55Å | 1.59Å | |
| C25 | C24 | sing | 1.55Å | 1.52Å | |
| O27 | C26 | sing | 1.43Å | 1.38Å | |
| C33 | N29 | sing | 1.37Å | 1.45Å | Aromatic |
| C33 | N34 | doub | 1.33Å | 1.38Å | Aromatic |
| N29 | C24 | sing | 1.47Å | 1.49Å | |
| C26 | C22 | sing | 1.54Å | 1.49Å | |
| C35 | N34 | sing | 1.32Å | 1.36Å | Aromatic |
| C24 | O23 | sing | 1.44Å | 1.43Å | |
| C22 | O23 | sing | 1.44Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.66Å | |
| C21 | N19 | sing | 1.47Å | 1.48Å | |
| C04 | N03 | sing | 1.48Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.56Å | |
| O08 | C07 | doub | 1.22Å | 1.21Å | |
| N46 | C45 | sing | 1.38Å | 1.41Å | |
| N03 | C02 | sing | 1.37Å | 1.43Å | |
| C05 | N06 | sing | 1.48Å | 1.51Å | |
| C45 | N44 | doub | 1.33Å | 1.38Å | Aromatic |
| C45 | C40 | sing | 1.41Å | 1.49Å | Aromatic |
| C07 | N06 | sing | 1.36Å | 1.41Å | |
| C07 | N09 | sing | 1.36Å | 1.42Å | |
| C02 | C20 | sing | 1.51Å | 1.62Å | |
| C02 | O01 | doub | 1.21Å | 1.23Å | |
| N19 | C20 | sing | 1.47Å | 1.51Å | |
| N19 | C18 | sing | 1.47Å | 1.65Å | |
| N44 | C43 | sing | 1.32Å | 1.40Å | Aromatic |
| N39 | C40 | sing | 1.35Å | 1.44Å | Aromatic |
| N39 | C15 | doub | 1.31Å | 1.35Å | Aromatic |
| C40 | C41 | doub | 1.41Å | 1.43Å | Aromatic |
| N09 | C10 | sing | 1.48Å | 1.53Å | |
| C43 | N42 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C16 | sing | 1.44Å | 1.58Å | |
| C15 | N14 | sing | 1.37Å | 1.47Å | Aromatic |
| C41 | N42 | sing | 1.33Å | 1.39Å | Aromatic |
| C41 | N14 | sing | 1.38Å | 1.46Å | Aromatic |
| C16 | C17 | trip | 1.20Å | 1.21Å | |
| C17 | C18 | sing | 1.48Å | 1.50Å | |
| N14 | C13 | sing | 1.46Å | 1.47Å | |
| O12 | C13 | sing | 1.43Å | 1.42Å | |
| O12 | C11 | sing | 1.44Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.59Å | |
| C13 | C47 | sing | 1.54Å | 1.55Å | |
| C11 | C48 | sing | 1.54Å | 1.53Å | |
| C47 | C48 | sing | 1.54Å | 1.51Å | |
| C47 | O50 | sing | 1.43Å | 1.39Å | |
| C48 | O49 | sing | 1.43Å | 1.42Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C35 | H20 | sing | 1.08Å | 1.08Å | |
| C43 | H21 | sing | 1.08Å | 1.08Å | |
| C47 | H22 | sing | 1.09Å | 1.10Å | |
| C48 | H23 | sing | 1.09Å | 1.10Å | |
| N03 | H24 | sing | 0.97Å | 1.00Å | |
| N06 | H25 | sing | 0.97Å | 1.00Å | |
| N09 | H26 | sing | 0.97Å | 1.00Å | |
| N38 | H28 | sing | 0.97Å | 1.00Å | |
| N38 | H29 | sing | 0.97Å | 1.00Å | |
| N46 | H30 | sing | 0.97Å | 1.00Å | |
| N46 | H31 | sing | 0.97Å | 1.00Å | |
| O27 | H32 | sing | 0.97Å | 0.95Å | |
| O28 | H33 | sing | 0.97Å | 0.95Å | |
| O49 | H34 | sing | 0.97Å | 0.95Å | |
| O50 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N38 | C37 | C32 | 120.9° | 120.8° |
| N38 | C37 | N36 | 120.9° | 120.8° |
| C37 | N38 | H28 | 109.5° | 120.0° |
| C37 | N38 | H29 | 109.4° | 120.0° |
| C32 | N31 | C30 | 107.7° | 109.5° |
| N31 | C32 | C37 | 134.7° | 134.7° |
| N31 | C32 | C33 | 107.9° | 107.1° |
| N31 | C30 | N29 | 112.2° | 110.0° |
| N31 | C30 | H19 | 123.9° | 125.0° |
| C32 | C37 | N36 | 118.3° | 118.5° |
| C37 | C32 | C33 | 117.4° | 118.1° |
| C37 | N36 | C35 | 119.5° | 121.2° |
| C32 | C33 | N29 | 106.9° | 106.0° |
| C32 | C33 | N34 | 123.4° | 119.1° |
| C30 | N29 | C33 | 105.3° | 107.5° |
| C30 | N29 | C24 | 123.3° | 126.3° |
| N29 | C30 | H19 | 123.9° | 125.0° |
| O28 | C25 | C26 | 113.4° | 110.9° |
| O28 | C25 | C24 | 105.8° | 110.9° |
| O28 | C25 | H18 | 112.2° | 110.8° |
| C25 | O28 | H33 | 109.5° | 114.0° |
| N36 | C35 | N34 | 126.2° | 122.4° |
| N36 | C35 | H20 | 116.9° | 118.7° |
| C26 | C25 | C24 | 106.0° | 102.1° |
| C25 | C26 | O27 | 112.3° | 110.6° |
| C25 | C26 | C22 | 106.1° | 104.2° |
| C25 | C26 | H10 | 108.9° | 110.5° |
| C26 | C25 | H18 | 109.2° | 110.9° |
| C25 | C24 | N29 | 105.9° | 110.8° |
| C25 | C24 | O23 | 103.8° | 103.5° |
| C25 | C24 | H9 | 109.1° | 110.7° |
| C24 | C25 | H18 | 110.0° | 110.9° |
| O27 | C26 | C22 | 107.3° | 110.5° |
| O27 | C26 | H10 | 111.8° | 110.4° |
| C26 | O27 | H32 | 109.5° | 114.1° |
| N29 | C33 | N34 | 129.7° | 134.9° |
| C33 | N29 | C24 | 131.4° | 126.3° |
| C33 | N34 | C35 | 115.2° | 120.7° |
| N29 | C24 | O23 | 117.5° | 110.6° |
| N29 | C24 | H9 | 109.5° | 110.5° |
| C26 | C22 | O23 | 99.7° | 107.3° |
| C26 | C22 | C21 | 115.7° | 109.9° |
| C26 | C22 | H8 | 111.7° | 110.0° |
| C22 | C26 | H10 | 110.2° | 110.5° |
| N34 | C35 | H20 | 116.9° | 118.8° |
| C24 | O23 | C22 | 113.3° | 106.9° |
| O23 | C24 | H9 | 110.5° | 110.6° |
| O23 | C22 | C21 | 109.0° | 109.9° |
| O23 | C22 | H8 | 111.0° | 109.8° |
| C22 | C21 | N19 | 113.4° | 109.5° |
| C22 | C21 | H6 | 108.5° | 109.5° |
| C22 | C21 | H7 | 108.5° | 109.5° |
| C21 | C22 | H8 | 109.4° | 109.9° |
| C21 | N19 | C20 | 115.3° | 111.0° |
| C21 | N19 | C18 | 118.7° | 111.0° |
| N19 | C21 | H6 | 108.5° | 109.4° |
| N19 | C21 | H7 | 108.5° | 109.5° |
| N03 | C04 | C05 | 112.8° | 108.5° |
| C04 | N03 | C02 | 122.9° | 114.7° |
| N03 | C04 | H11 | 108.6° | 109.6° |
| N03 | C04 | H12 | 108.7° | 109.6° |
| C04 | N03 | H24 | 118.5° | 122.7° |
| C04 | C05 | N06 | 110.0° | 108.9° |
| C05 | C04 | H11 | 108.6° | 109.7° |
| C05 | C04 | H12 | 108.6° | 109.6° |
| C04 | C05 | H13 | 109.4° | 109.6° |
| C04 | C05 | H14 | 109.3° | 109.5° |
| O08 | C07 | N06 | 110.3° | 121.1° |
| O08 | C07 | N09 | 118.1° | 121.1° |
| N46 | C45 | N44 | 120.4° | 120.8° |
| N46 | C45 | C40 | 122.3° | 120.8° |
| C45 | N46 | H30 | 109.5° | 120.0° |
| C45 | N46 | H31 | 109.5° | 120.0° |
| N03 | C02 | C20 | 125.0° | 118.8° |
| N03 | C02 | O01 | 120.2° | 120.6° |
| C02 | N03 | H24 | 118.5° | 122.6° |
| C05 | N06 | C07 | 121.7° | 116.2° |
| N06 | C05 | H13 | 109.3° | 109.6° |
| N06 | C05 | H14 | 109.3° | 109.6° |
| C05 | N06 | H25 | 119.2° | 121.9° |
| N44 | C45 | C40 | 117.3° | 118.3° |
| C45 | N44 | C43 | 120.1° | 121.2° |
| C45 | C40 | N39 | 135.2° | 134.4° |
| C45 | C40 | C41 | 116.4° | 118.2° |
| N06 | C07 | N09 | 131.6° | 117.8° |
| C07 | N06 | H25 | 119.1° | 121.9° |
| C07 | N09 | C10 | 126.3° | 116.1° |
| C07 | N09 | H26 | 116.9° | 121.9° |
| C20 | C02 | O01 | 114.8° | 120.5° |
| C02 | C20 | N19 | 113.6° | 109.3° |
| C02 | C20 | H4 | 108.5° | 109.5° |
| C02 | C20 | H5 | 108.4° | 109.5° |
| C20 | N19 | C18 | 108.7° | 110.9° |
| N19 | C20 | H4 | 108.4° | 109.5° |
| N19 | C20 | H5 | 108.4° | 109.5° |
| N19 | C18 | C17 | 113.1° | 109.4° |
| N19 | C18 | H16 | 108.6° | 109.5° |
| N19 | C18 | H17 | 108.6° | 109.5° |
| N44 | C43 | N42 | 126.7° | 122.6° |
| N44 | C43 | H21 | 116.7° | 118.7° |
| C40 | N39 | C15 | 111.0° | 109.5° |
| N39 | C40 | C41 | 108.3° | 107.4° |
| N39 | C15 | C16 | 128.6° | 124.2° |
| N39 | C15 | N14 | 106.7° | 109.7° |
| C40 | C41 | N42 | 124.9° | 119.0° |
| C40 | C41 | N14 | 105.5° | 106.2° |
| N09 | C10 | C11 | 110.3° | 108.5° |
| N09 | C10 | H1 | 109.3° | 109.6° |
| N09 | C10 | H2 | 109.2° | 109.7° |
| C10 | N09 | H26 | 116.8° | 121.9° |
| C43 | N42 | C41 | 114.5° | 120.7° |
| N42 | C43 | H21 | 116.6° | 118.7° |
| C16 | C15 | N14 | 124.7° | 126.1° |
| C15 | C16 | C17 | 179.8° | 153.8° |
| C15 | N14 | C41 | 108.5° | 107.2° |
| C15 | N14 | C13 | 128.8° | 127.2° |
| N42 | C41 | N14 | 129.6° | 134.8° |
| C41 | N14 | C13 | 122.7° | 125.6° |
| C16 | C17 | C18 | 177.6° | 155.9° |
| C17 | C18 | H16 | 108.6° | 109.4° |
| C17 | C18 | H17 | 108.6° | 109.4° |
| N14 | C13 | O12 | 116.9° | 111.2° |
| N14 | C13 | C47 | 113.2° | 109.8° |
| N14 | C13 | H3 | 106.9° | 109.9° |
| C13 | O12 | C11 | 109.6° | 108.7° |
| O12 | C13 | C47 | 105.7° | 107.2° |
| O12 | C13 | H3 | 107.6° | 109.2° |
| O12 | C11 | C10 | 114.6° | 110.4° |
| O12 | C11 | C48 | 103.7° | 106.9° |
| O12 | C11 | H15 | 110.2° | 109.6° |
| C10 | C11 | C48 | 110.8° | 110.2° |
| C11 | C10 | H1 | 109.3° | 109.7° |
| C11 | C10 | H2 | 109.3° | 109.7° |
| C10 | C11 | H15 | 108.3° | 110.3° |
| C13 | C47 | C48 | 98.0° | 105.0° |
| C13 | C47 | O50 | 117.5° | 110.4° |
| C47 | C13 | H3 | 106.0° | 109.4° |
| C13 | C47 | H22 | 109.2° | 110.3° |
| C11 | C48 | C47 | 108.3° | 104.8° |
| C11 | C48 | O49 | 110.2° | 110.4° |
| C48 | C11 | H15 | 109.1° | 109.5° |
| C11 | C48 | H23 | 108.9° | 110.4° |
| C48 | C47 | O50 | 110.0° | 110.4° |
| C47 | C48 | O49 | 109.9° | 110.4° |
| C48 | C47 | H22 | 109.7° | 110.3° |
| C47 | C48 | H23 | 109.1° | 110.4° |
| O50 | C47 | H22 | 111.5° | 110.3° |
| C47 | O50 | H35 | 109.5° | 114.0° |
| O49 | C48 | H23 | 110.3° | 110.3° |
| C48 | O49 | H34 | 109.5° | 114.1° |
| H1 | C10 | H2 | 109.5° | 109.7° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.4° |
| H11 | C04 | H12 | 109.5° | 109.8° |
| H13 | C05 | H14 | 109.4° | 109.6° |
| H16 | C18 | H17 | 109.4° | 109.5° |
| H28 | N38 | H29 | 109.5° | 120.0° |
| H30 | N46 | H31 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N38 | C37 | C32 | N31 | 0.2° | 0.5° |
| N38 | C37 | C32 | N36 | 179.8° | 180.0° |
| N38 | C37 | C32 | C33 | 180.0° | 180.0° |
| N38 | C37 | N36 | C35 | 179.8° | 180.0° |
| C37 | N38 | H28 | H29 | 120.0° | 180.0° |
| N31 | C32 | C37 | C33 | 179.8° | 179.5° |
| N31 | C32 | C37 | N36 | 179.6° | 179.5° |
| C32 | N31 | C30 | N29 | 0.1° | 0.0° |
| N31 | C32 | C33 | N29 | 0.3° | 0.4° |
| N31 | C32 | C33 | N34 | 179.9° | 179.6° |
| C32 | N31 | C30 | H19 | 179.9° | 179.8° |
| C30 | N31 | C32 | C37 | 179.9° | 179.8° |
| C30 | N31 | C32 | C33 | 0.2° | 0.2° |
| N31 | C30 | N29 | H19 | 180.0° | 179.8° |
| N31 | C30 | N29 | C33 | 0.2° | 0.2° |
| N31 | C30 | N29 | C24 | 179.8° | 179.8° |
| C32 | C37 | N36 | C35 | 0.4° | 0.0° |
| C37 | C32 | C33 | N29 | 179.8° | 180.0° |
| C37 | C32 | C33 | N34 | 0.0° | 0.0° |
| C32 | C37 | N38 | H28 | 179.7° | 0.0° |
| C32 | C37 | N38 | H29 | 59.7° | 180.0° |
| N36 | C37 | C32 | C33 | 0.2° | 0.0° |
| C37 | N36 | C35 | N34 | 0.5° | 0.0° |
| C37 | N36 | C35 | H20 | 179.5° | 180.0° |
| N36 | C37 | N38 | H28 | 0.0° | 180.0° |
| N36 | C37 | N38 | H29 | 120.0° | 0.0° |
| C32 | C33 | N29 | C30 | 0.3° | 0.3° |
| C32 | C33 | N29 | N34 | 179.8° | 180.0° |
| C32 | C33 | N29 | C24 | 180.0° | 179.7° |
| C32 | C33 | N34 | C35 | 0.0° | 0.0° |
| C30 | N29 | C24 | C25 | 56.2° | 90.6° |
| C30 | N29 | C33 | C24 | 179.7° | 180.0° |
| C30 | N29 | C33 | N34 | 179.9° | 179.7° |
| C30 | N29 | C24 | O23 | 59.1° | 23.6° |
| C30 | N29 | C24 | H9 | 173.8° | 146.4° |
| O28 | C25 | C26 | C24 | 115.7° | 118.2° |
| O28 | C25 | C26 | H18 | 125.9° | 123.6° |
| O28 | C25 | C24 | H18 | 121.3° | 123.6° |
| O28 | C25 | C26 | O27 | 21.4° | 20.4° |
| O28 | C25 | C24 | N29 | 114.4° | 86.2° |
| O28 | C25 | C26 | C22 | 95.5° | 139.1° |
| O28 | C25 | C24 | O23 | 121.3° | 155.2° |
| O28 | C25 | C24 | H9 | 3.4° | 36.7° |
| O28 | C25 | C26 | H10 | 145.8° | 102.2° |
| N36 | C35 | N34 | C33 | 0.3° | 0.0° |
| N36 | C35 | N34 | H20 | 180.0° | 180.0° |
| C26 | C25 | C24 | H18 | 117.9° | 118.2° |
| C25 | C26 | O27 | C22 | 116.2° | 114.8° |
| C25 | C26 | O27 | H10 | 122.8° | 122.6° |
| C26 | C25 | C24 | N29 | 124.9° | 155.6° |
| C25 | C26 | C22 | H10 | 117.7° | 118.7° |
| C26 | C25 | C24 | O23 | 0.5° | 37.0° |
| C25 | C26 | C22 | O23 | 30.2° | 2.0° |
| C25 | C26 | C22 | C21 | 146.9° | 121.5° |
| C25 | C26 | C22 | H8 | 87.1° | 117.5° |
| C26 | C25 | C24 | H9 | 117.3° | 81.5° |
| C25 | C26 | O27 | H32 | 180.0° | 65.2° |
| C26 | C25 | O28 | H33 | 180.0° | 61.4° |
| C24 | C25 | C26 | O27 | 137.1° | 97.8° |
| C25 | C24 | N29 | C33 | 124.2° | 89.4° |
| C25 | C24 | N29 | O23 | 115.3° | 114.2° |
| C25 | C24 | N29 | H9 | 117.5° | 123.0° |
| C24 | C25 | C26 | C22 | 20.1° | 20.9° |
| C25 | C24 | O23 | H9 | 116.9° | 118.6° |
| C25 | C24 | O23 | C22 | 21.3° | 40.0° |
| C24 | C25 | C26 | H10 | 98.5° | 139.6° |
| C24 | C25 | O28 | H33 | 64.2° | 174.1° |
| O27 | C26 | C22 | H10 | 122.0° | 122.5° |
| O27 | C26 | C22 | O23 | 150.5° | 120.8° |
| O27 | C26 | C22 | C21 | 92.8° | 119.8° |
| O27 | C26 | C22 | H8 | 33.1° | 1.3° |
| O27 | C26 | C25 | H18 | 104.5° | 144.0° |
| N29 | C33 | N34 | C35 | 179.7° | 180.0° |
| C33 | N29 | C24 | O23 | 120.5° | 156.4° |
| C33 | N29 | C24 | H9 | 6.6° | 33.6° |
| C33 | N29 | C30 | H19 | 179.8° | 180.0° |
| N34 | C33 | N29 | C24 | 0.3° | 0.3° |
| C33 | N34 | C35 | H20 | 179.7° | 180.0° |
| N29 | C24 | O23 | H9 | 126.6° | 122.8° |
| N29 | C24 | O23 | C22 | 137.8° | 158.7° |
| N29 | C24 | C25 | H18 | 7.0° | 37.4° |
| C24 | N29 | C30 | H19 | 0.2° | 0.0° |
| C26 | C22 | O23 | C24 | 33.7° | 26.5° |
| C26 | C22 | O23 | C21 | 121.6° | 119.4° |
| C26 | C22 | O23 | H8 | 117.8° | 119.6° |
| C26 | C22 | C21 | H8 | 127.1° | 121.2° |
| C26 | C22 | C21 | N19 | 167.0° | 175.7° |
| C26 | C22 | C21 | H6 | 72.4° | 55.7° |
| C26 | C22 | C21 | H7 | 46.4° | 64.3° |
| C22 | C26 | C25 | H18 | 138.6° | 97.3° |
| C22 | C26 | O27 | H32 | 63.8° | 180.0° |
| C24 | O23 | C22 | C21 | 155.4° | 145.9° |
| C24 | O23 | C22 | H8 | 84.1° | 93.1° |
| O23 | C24 | C25 | H18 | 117.4° | 81.2° |
| O23 | C22 | C21 | H8 | 121.5° | 121.0° |
| O23 | C22 | C21 | N19 | 55.6° | 66.4° |
| O23 | C22 | C21 | H6 | 176.2° | 173.6° |
| O23 | C22 | C21 | H7 | 65.0° | 53.6° |
| C22 | O23 | C24 | H9 | 95.5° | 78.5° |
| O23 | C22 | C26 | H10 | 87.5° | 116.6° |
| C22 | C21 | N19 | H6 | 120.6° | 120.0° |
| C22 | C21 | N19 | H7 | 120.6° | 120.1° |
| C22 | C21 | N19 | C20 | 153.4° | 170.0° |
| C22 | C21 | N19 | C18 | 75.1° | 66.1° |
| C22 | C21 | H6 | H7 | 118.2° | 120.0° |
| C21 | C22 | C26 | H10 | 29.2° | 2.8° |
| C21 | N19 | C20 | C02 | 81.3° | 111.5° |
| C21 | N19 | C20 | C18 | 136.1° | 123.9° |
| C21 | N19 | C18 | C17 | 64.8° | 137.9° |
| C21 | N19 | C20 | H4 | 39.3° | 8.4° |
| C21 | N19 | C20 | H5 | 158.1° | 128.5° |
| N19 | C21 | H6 | H7 | 118.2° | 120.0° |
| N19 | C21 | C22 | H8 | 65.9° | 54.5° |
| C21 | N19 | C18 | H16 | 55.7° | 102.2° |
| C21 | N19 | C18 | H17 | 174.6° | 17.9° |
| N03 | C04 | C05 | H11 | 120.5° | 119.7° |
| N03 | C04 | C05 | H12 | 120.5° | 119.7° |
| C04 | N03 | C02 | H24 | 180.0° | 179.9° |
| N03 | C04 | C05 | N06 | 15.9° | 106.8° |
| C04 | N03 | C02 | C20 | 179.3° | 179.8° |
| C04 | N03 | C02 | O01 | 0.1° | 0.2° |
| N03 | C04 | H11 | H12 | 118.5° | 120.5° |
| N03 | C04 | C05 | H13 | 104.2° | 13.1° |
| N03 | C04 | C05 | H14 | 136.0° | 133.4° |
| C05 | C04 | N03 | C02 | 87.9° | 141.6° |
| C04 | C05 | N06 | H13 | 120.1° | 119.9° |
| C04 | C05 | N06 | H14 | 120.1° | 119.8° |
| C04 | C05 | N06 | C07 | 75.1° | 102.3° |
| C05 | C04 | H11 | H12 | 118.5° | 120.5° |
| C04 | C05 | H13 | H14 | 119.8° | 120.3° |
| C05 | C04 | N03 | H24 | 92.1° | 38.5° |
| C04 | C05 | N06 | H25 | 104.9° | 77.7° |
| O08 | C07 | N06 | C05 | 2.3° | 2.2° |
| O08 | C07 | N06 | N09 | 178.8° | 180.0° |
| O08 | C07 | N09 | C10 | 179.5° | 3.9° |
| O08 | C07 | N06 | H25 | 177.7° | 177.8° |
| O08 | C07 | N09 | H26 | 0.5° | 176.2° |
| N46 | C45 | N44 | C40 | 180.0° | 180.0° |
| N46 | C45 | N44 | C43 | 179.7° | 179.5° |
| N46 | C45 | C40 | N39 | 0.1° | 2.1° |
| N46 | C45 | C40 | C41 | 179.7° | 178.7° |
| C45 | N46 | H30 | H31 | 120.0° | 179.9° |
| N03 | C02 | C20 | O01 | 179.4° | 180.0° |
| N03 | C02 | C20 | N19 | 10.2° | 161.1° |
| N03 | C02 | C20 | H4 | 110.5° | 78.9° |
| N03 | C02 | C20 | H5 | 130.8° | 41.1° |
| C02 | N03 | C04 | H11 | 32.6° | 21.9° |
| C02 | N03 | C04 | H12 | 151.6° | 98.7° |
| C05 | N06 | C07 | H25 | 180.0° | 180.0° |
| C05 | N06 | C07 | N09 | 178.9° | 177.8° |
| N06 | C05 | C04 | H11 | 136.4° | 12.9° |
| N06 | C05 | C04 | H12 | 104.6° | 133.6° |
| N06 | C05 | H13 | H14 | 119.8° | 120.3° |
| N44 | C45 | C40 | N39 | 179.9° | 178.0° |
| N44 | C45 | C40 | C41 | 0.3° | 1.3° |
| C45 | N44 | C43 | N42 | 0.3° | 0.5° |
| C45 | N44 | C43 | H21 | 179.7° | 179.5° |
| N44 | C45 | N46 | H30 | 0.0° | 0.0° |
| N44 | C45 | N46 | H31 | 120.0° | 180.0° |
| C40 | C45 | N44 | C43 | 0.3° | 0.4° |
| C45 | C40 | N39 | C41 | 179.8° | 179.3° |
| C45 | C40 | N39 | C15 | 179.7° | 179.7° |
| C45 | C40 | C41 | N42 | 0.4° | 1.3° |
| C45 | C40 | C41 | N14 | 179.9° | 178.5° |
| C40 | C45 | N46 | H30 | 180.0° | 180.0° |
| C40 | C45 | N46 | H31 | 60.0° | 0.1° |
| N06 | C07 | N09 | C10 | 0.8° | 176.1° |
| C07 | N06 | C05 | H13 | 164.8° | 17.6° |
| C07 | N06 | C05 | H14 | 45.0° | 137.9° |
| N06 | C07 | N09 | H26 | 179.2° | 3.9° |
| C07 | N09 | C10 | H26 | 180.0° | 180.0° |
| C07 | N09 | C10 | C11 | 173.7° | 122.3° |
| C07 | N09 | C10 | H1 | 66.1° | 118.0° |
| C07 | N09 | C10 | H2 | 53.6° | 2.5° |
| N09 | C07 | N06 | H25 | 1.1° | 2.2° |
| C02 | C20 | N19 | H4 | 120.6° | 120.0° |
| C02 | C20 | N19 | H5 | 120.6° | 120.0° |
| C02 | C20 | N19 | C18 | 142.5° | 124.5° |
| C02 | C20 | H4 | H5 | 118.1° | 120.1° |
| C20 | C02 | N03 | H24 | 0.7° | 0.3° |
| O01 | C02 | C20 | N19 | 170.4° | 18.9° |
| O01 | C02 | C20 | H4 | 69.0° | 101.1° |
| O01 | C02 | C20 | H5 | 49.8° | 138.8° |
| O01 | C02 | N03 | H24 | 179.9° | 179.7° |
| C20 | N19 | C18 | C17 | 160.8° | 98.2° |
| N19 | C20 | H4 | H5 | 118.1° | 120.0° |
| C20 | N19 | C21 | H6 | 86.0° | 70.0° |
| C20 | N19 | C21 | H7 | 32.8° | 49.9° |
| C20 | N19 | C18 | H16 | 78.7° | 21.8° |
| C20 | N19 | C18 | H17 | 40.3° | 141.8° |
| N19 | C18 | C17 | C16 | 20.8° | 178.6° |
| N19 | C18 | C17 | H16 | 120.5° | 120.0° |
| N19 | C18 | C17 | H17 | 120.6° | 120.0° |
| C18 | N19 | C20 | H4 | 96.8° | 115.5° |
| C18 | N19 | C20 | H5 | 21.9° | 4.5° |
| C18 | N19 | C21 | H6 | 45.5° | 53.9° |
| C18 | N19 | C21 | H7 | 164.3° | 173.8° |
| N19 | C18 | H16 | H17 | 118.4° | 120.1° |
| N44 | C43 | N42 | H21 | 180.0° | 180.0° |
| N44 | C43 | N42 | C41 | 0.3° | 0.4° |
| C40 | N39 | C15 | C16 | 180.0° | 178.8° |
| C40 | N39 | C15 | N14 | 0.2° | 1.5° |
| N39 | C40 | C41 | N42 | 179.8° | 178.1° |
| N39 | C40 | C41 | N14 | 0.1° | 2.0° |
| C15 | N39 | C40 | C41 | 0.1° | 0.3° |
| N39 | C15 | C16 | N14 | 179.8° | 179.6° |
| N39 | C15 | N14 | C41 | 0.2° | 2.8° |
| N39 | C15 | C16 | C17 | 141.4° | 15.8° |
| N39 | C15 | N14 | C13 | 179.4° | 175.9° |
| C40 | C41 | N42 | C43 | 0.3° | 0.5° |
| C40 | C41 | N14 | C15 | 0.1° | 2.9° |
| C40 | C41 | N42 | N14 | 179.7° | 179.8° |
| C40 | C41 | N14 | C13 | 179.4° | 175.8° |
| N09 | C10 | C11 | O12 | 52.0° | 99.0° |
| N09 | C10 | C11 | H1 | 120.1° | 119.6° |
| N09 | C10 | C11 | H2 | 120.1° | 119.9° |
| N09 | C10 | C11 | C48 | 168.9° | 143.1° |
| N09 | C10 | H1 | H2 | 119.6° | 120.5° |
| N09 | C10 | C11 | H15 | 71.5° | 22.2° |
| C43 | N42 | C41 | N14 | 180.0° | 179.4° |
| C16 | C15 | N14 | C41 | 180.0° | 177.6° |
| C15 | C16 | C17 | C18 | 66.8° | 0.2° |
| C16 | C15 | N14 | C13 | 0.4° | 3.8° |
| C15 | N14 | C41 | N42 | 179.9° | 177.3° |
| C15 | N14 | C41 | C13 | 179.6° | 178.7° |
| N14 | C15 | C16 | C17 | 38.9° | 164.6° |
| C15 | N14 | C13 | O12 | 67.7° | 45.8° |
| C15 | N14 | C13 | C47 | 55.5° | 164.3° |
| C15 | N14 | C13 | H3 | 171.8° | 75.2° |
| N42 | C41 | N14 | C13 | 0.3° | 4.0° |
| C41 | N42 | C43 | H21 | 179.7° | 179.5° |
| C41 | N14 | C13 | O12 | 112.8° | 135.8° |
| C41 | N14 | C13 | C47 | 124.0° | 17.3° |
| C41 | N14 | C13 | H3 | 7.7° | 103.2° |
| C16 | C17 | C18 | H16 | 99.7° | 58.5° |
| C16 | C17 | C18 | H17 | 141.4° | 61.5° |
| C17 | C18 | H16 | H17 | 118.3° | 120.0° |
| N14 | C13 | O12 | C47 | 127.0° | 120.1° |
| N14 | C13 | O12 | H3 | 120.1° | 121.5° |
| N14 | C13 | O12 | C11 | 159.5° | 146.8° |
| N14 | C13 | C47 | H3 | 116.8° | 120.8° |
| N14 | C13 | C47 | C48 | 167.0° | 135.7° |
| N14 | C13 | C47 | O50 | 75.4° | 105.4° |
| N14 | C13 | C47 | H22 | 52.8° | 16.8° |
| C13 | O12 | C11 | C10 | 133.0° | 147.5° |
| O12 | C13 | C47 | H3 | 114.0° | 118.3° |
| C13 | O12 | C11 | C48 | 12.1° | 27.6° |
| O12 | C13 | C47 | C48 | 37.8° | 14.8° |
| O12 | C13 | C47 | O50 | 155.4° | 133.7° |
| C13 | O12 | C11 | H15 | 104.5° | 91.0° |
| O12 | C13 | C47 | H22 | 76.4° | 104.1° |
| O12 | C11 | C10 | C48 | 116.9° | 117.9° |
| O12 | C11 | C10 | H15 | 123.5° | 121.2° |
| C11 | O12 | C13 | C47 | 32.5° | 26.7° |
| O12 | C11 | C48 | H15 | 117.4° | 118.6° |
| O12 | C11 | C48 | C47 | 13.4° | 17.2° |
| O12 | C11 | C48 | O49 | 106.8° | 136.1° |
| O12 | C11 | C10 | H1 | 68.2° | 141.3° |
| O12 | C11 | C10 | H2 | 172.1° | 20.9° |
| C11 | O12 | C13 | H3 | 80.4° | 91.8° |
| O12 | C11 | C48 | H23 | 132.0° | 101.7° |
| C10 | C11 | C48 | H15 | 119.2° | 121.4° |
| C10 | C11 | C48 | C47 | 110.0° | 137.1° |
| C10 | C11 | C48 | O49 | 129.8° | 104.0° |
| C11 | C10 | H1 | H2 | 119.6° | 120.5° |
| C10 | C11 | C48 | H23 | 8.6° | 18.2° |
| C11 | C10 | N09 | H26 | 6.3° | 57.7° |
| C13 | C47 | C48 | C11 | 30.5° | 1.5° |
| C13 | C47 | C48 | O50 | 123.2° | 118.9° |
| C13 | C47 | C48 | H22 | 113.8° | 118.8° |
| C13 | C47 | O50 | H22 | 127.1° | 122.2° |
| C13 | C47 | C48 | O49 | 90.0° | 120.3° |
| C13 | C47 | C48 | H23 | 148.9° | 117.4° |
| C13 | C47 | O50 | H35 | 180.0° | 180.0° |
| C11 | C48 | C47 | O49 | 120.4° | 118.9° |
| C11 | C48 | C47 | H23 | 118.4° | 118.9° |
| C11 | C48 | C47 | O50 | 153.6° | 117.4° |
| C11 | C48 | O49 | H23 | 120.3° | 122.3° |
| C48 | C11 | C10 | H1 | 48.7° | 23.5° |
| C48 | C11 | C10 | H2 | 71.0° | 97.0° |
| C11 | C48 | C47 | H22 | 83.3° | 120.3° |
| C11 | C48 | O49 | H34 | 180.0° | 180.0° |
| C48 | C47 | O50 | H22 | 122.0° | 122.2° |
| C47 | C48 | O49 | H23 | 120.4° | 122.3° |
| C48 | C47 | C13 | H3 | 76.2° | 103.6° |
| C47 | C48 | C11 | H15 | 130.9° | 101.4° |
| C47 | C48 | O49 | H34 | 60.7° | 64.6° |
| C48 | C47 | O50 | H35 | 69.1° | 64.4° |
| O50 | C47 | C48 | O49 | 33.2° | 1.4° |
| O50 | C47 | C13 | H3 | 41.4° | 15.4° |
| O50 | C47 | C48 | H23 | 87.9° | 123.7° |
| O49 | C48 | C11 | H15 | 10.6° | 17.4° |
| O49 | C48 | C47 | H22 | 156.2° | 120.8° |
| H1 | C10 | C11 | H15 | 168.3° | 97.5° |
| H1 | C10 | N09 | H26 | 113.9° | 62.0° |
| H2 | C10 | C11 | H15 | 48.6° | 142.0° |
| H2 | C10 | N09 | H26 | 126.4° | 177.5° |
| H3 | C13 | C47 | H22 | 169.6° | 137.6° |
| H6 | C21 | C22 | H8 | 54.7° | 65.5° |
| H7 | C21 | C22 | H8 | 173.5° | 174.6° |
| H8 | C22 | C26 | H10 | 155.2° | 123.9° |
| H9 | C24 | C25 | H18 | 124.8° | 160.3° |
| H10 | C26 | C25 | H18 | 19.9° | 21.4° |
| H10 | C26 | O27 | H32 | 57.2° | 57.5° |
| H11 | C04 | C05 | H13 | 16.3° | 132.8° |
| H11 | C04 | C05 | H14 | 103.5° | 106.9° |
| H11 | C04 | N03 | H24 | 147.4° | 158.2° |
| H12 | C04 | C05 | H13 | 135.3° | 106.6° |
| H12 | C04 | C05 | H14 | 15.5° | 13.8° |
| H12 | C04 | N03 | H24 | 28.4° | 81.2° |
| H13 | C05 | N06 | H25 | 15.2° | 162.4° |
| H14 | C05 | N06 | H25 | 135.0° | 42.1° |
| H15 | C11 | C48 | H23 | 110.5° | 139.6° |
| H18 | C25 | O28 | H33 | 55.7° | 62.2° |
| H22 | C47 | C48 | H23 | 35.1° | 1.4° |
| H22 | C47 | O50 | H35 | 52.9° | 57.8° |
| H23 | C48 | O49 | H34 | 59.7° | 57.7° |
