R1L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C50 | O49 | sing | 1.44Å | 1.44Å | |
| C50 | C47 | sing | 1.54Å | 1.54Å | |
| O49 | C48 | sing | 1.44Å | 1.44Å | |
| C45 | C46 | sing | 1.53Å | 1.46Å | |
| C45 | N44 | sing | 1.47Å | 1.49Å | |
| C47 | C48 | sing | 1.54Å | 1.54Å | |
| C47 | N44 | sing | 1.47Å | 1.38Å | |
| C46 | N41 | sing | 1.47Å | 1.50Å | |
| N44 | C43 | sing | 1.47Å | 1.53Å | |
| C40 | C38 | sing | 1.53Å | 1.54Å | |
| N41 | C38 | sing | 1.47Å | 1.49Å | |
| N41 | C42 | sing | 1.47Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.40Å | |
| C38 | C37 | sing | 1.51Å | 1.51Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| N36 | C35 | trip | 1.14Å | 1.14Å | |
| C37 | C34 | doub | 1.35Å | 1.36Å | |
| C35 | C34 | sing | 1.43Å | 1.43Å | |
| C34 | C32 | sing | 1.48Å | 1.47Å | |
| O33 | C32 | doub | 1.22Å | 1.22Å | |
| C32 | N30 | sing | 1.35Å | 1.34Å | |
| C20 | N19 | doub | 1.31Å | 1.31Å | Aromatic |
| C20 | N21 | sing | 1.32Å | 1.31Å | Aromatic |
| N19 | C18 | sing | 1.33Å | 1.32Å | Aromatic |
| N30 | C31 | sing | 1.47Å | 1.48Å | |
| N30 | C29 | sing | 1.47Å | 1.47Å | |
| N21 | C22 | doub | 1.33Å | 1.33Å | Aromatic |
| C31 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | N17 | sing | 1.46Å | 1.46Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C18 | N17 | sing | 1.36Å | 1.36Å | Aromatic |
| C18 | C24 | doub | 1.41Å | 1.42Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| N17 | N16 | sing | 1.40Å | 1.38Å | Aromatic |
| C22 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | N23 | sing | 1.38Å | 1.35Å | |
| C24 | C15 | sing | 1.46Å | 1.46Å | Aromatic |
| N16 | C15 | doub | 1.31Å | 1.30Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.47Å | |
| C14 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| F1 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | C3 | sing | 1.38Å | 1.36Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | O5 | sing | 1.36Å | 1.36Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| O5 | C6 | sing | 1.36Å | 1.36Å | |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C37 | H10 | sing | 1.08Å | 1.08Å | |
| C39 | H11 | sing | 1.09Å | 1.10Å | |
| C39 | H12 | sing | 1.09Å | 1.10Å | |
| C39 | H13 | sing | 1.09Å | 1.10Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| C40 | H15 | sing | 1.09Å | 1.10Å | |
| C40 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N23 | H21 | sing | 0.97Å | 1.00Å | |
| N23 | H22 | sing | 0.97Å | 1.00Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H29 | sing | 1.09Å | 1.10Å | |
| C42 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.09Å | 1.10Å | |
| C45 | H35 | sing | 1.09Å | 1.10Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C47 | H38 | sing | 1.09Å | 1.10Å | |
| C48 | H39 | sing | 1.09Å | 1.10Å | |
| C48 | H40 | sing | 1.09Å | 1.10Å | |
| C50 | H41 | sing | 1.09Å | 1.10Å | |
| C50 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O49 | C50 | C47 | 87.7° | 85.5° |
| C50 | O49 | C48 | 95.3° | 93.4° |
| O49 | C50 | H41 | 114.6° | 113.8° |
| O49 | C50 | H42 | 114.6° | 113.8° |
| C50 | C47 | C48 | 87.7° | 85.8° |
| C50 | C47 | N44 | 112.9° | 113.8° |
| C50 | C47 | H38 | 112.5° | 113.9° |
| C47 | C50 | H41 | 114.6° | 113.8° |
| C47 | C50 | H42 | 114.6° | 113.9° |
| O49 | C48 | C47 | 87.6° | 85.5° |
| O49 | C48 | H39 | 114.6° | 113.8° |
| O49 | C48 | H40 | 114.6° | 114.0° |
| C46 | C45 | N44 | 115.2° | 109.4° |
| C45 | C46 | N41 | 113.4° | 109.3° |
| C46 | C45 | H34 | 108.0° | 109.5° |
| C46 | C45 | H35 | 108.0° | 109.5° |
| C45 | C46 | H36 | 108.5° | 109.5° |
| C45 | C46 | H37 | 108.5° | 109.5° |
| C45 | N44 | C47 | 114.6° | 111.0° |
| C45 | N44 | C43 | 109.4° | 110.9° |
| N44 | C45 | H34 | 108.0° | 109.5° |
| N44 | C45 | H35 | 108.0° | 109.5° |
| C48 | C47 | N44 | 113.3° | 113.8° |
| C48 | C47 | H38 | 112.4° | 113.8° |
| C47 | C48 | H39 | 114.6° | 113.9° |
| C47 | C48 | H40 | 114.6° | 113.9° |
| C47 | N44 | C43 | 111.1° | 111.0° |
| N44 | C47 | H38 | 115.1° | 113.0° |
| C46 | N41 | C38 | 112.5° | 111.0° |
| C46 | N41 | C42 | 117.2° | 110.9° |
| N41 | C46 | H36 | 108.5° | 109.5° |
| N41 | C46 | H37 | 108.5° | 109.5° |
| N44 | C43 | C42 | 115.3° | 109.4° |
| N44 | C43 | H31 | 108.0° | 109.5° |
| N44 | C43 | H32 | 108.0° | 109.5° |
| C40 | C38 | N41 | 111.3° | 109.5° |
| C40 | C38 | C37 | 104.8° | 109.5° |
| C40 | C38 | C39 | 104.5° | 109.5° |
| C38 | C40 | H14 | 109.5° | 109.5° |
| C38 | C40 | H15 | 109.5° | 109.5° |
| C38 | C40 | H16 | 109.5° | 109.4° |
| C38 | N41 | C42 | 122.9° | 111.0° |
| N41 | C38 | C37 | 113.5° | 109.4° |
| N41 | C38 | C39 | 113.6° | 109.5° |
| N41 | C42 | C43 | 108.8° | 109.3° |
| N41 | C42 | H29 | 109.6° | 109.5° |
| N41 | C42 | H30 | 109.7° | 109.5° |
| C43 | C42 | H29 | 109.7° | 109.5° |
| C43 | C42 | H30 | 109.7° | 109.5° |
| C42 | C43 | H31 | 108.0° | 109.5° |
| C42 | C43 | H32 | 108.0° | 109.5° |
| C37 | C38 | C39 | 108.4° | 109.5° |
| C38 | C37 | C34 | 130.1° | 120.0° |
| C38 | C37 | H10 | 115.0° | 120.0° |
| C38 | C39 | H11 | 109.5° | 109.5° |
| C38 | C39 | H12 | 109.5° | 109.5° |
| C38 | C39 | H13 | 109.5° | 109.5° |
| N36 | C35 | C34 | 178.5° | 180.0° |
| C37 | C34 | C35 | 129.0° | 120.0° |
| C37 | C34 | C32 | 115.9° | 120.0° |
| C34 | C37 | H10 | 114.9° | 120.0° |
| C35 | C34 | C32 | 115.0° | 120.0° |
| C34 | C32 | O33 | 116.3° | 120.0° |
| C34 | C32 | N30 | 123.4° | 120.0° |
| O33 | C32 | N30 | 120.3° | 120.0° |
| C32 | N30 | C31 | 120.8° | 120.6° |
| C32 | N30 | C29 | 125.7° | 120.6° |
| N19 | C20 | N21 | 124.3° | 122.7° |
| C20 | N19 | C18 | 118.1° | 120.7° |
| N19 | C20 | H20 | 117.8° | 118.6° |
| C20 | N21 | C22 | 121.5° | 121.1° |
| N21 | C20 | H20 | 117.8° | 118.7° |
| N19 | C18 | N17 | 132.2° | 134.5° |
| N19 | C18 | C24 | 121.0° | 118.6° |
| C31 | N30 | C29 | 113.5° | 118.7° |
| N30 | C31 | C25 | 106.0° | 108.8° |
| N30 | C31 | H8 | 110.3° | 109.6° |
| N30 | C31 | H9 | 110.4° | 109.7° |
| N30 | C29 | C28 | 106.4° | 108.8° |
| N30 | C29 | H26 | 110.2° | 109.6° |
| N30 | C29 | H27 | 110.2° | 109.7° |
| N21 | C22 | C24 | 117.4° | 118.3° |
| N21 | C22 | N23 | 120.9° | 120.8° |
| C31 | C25 | N17 | 109.9° | 109.5° |
| C31 | C25 | C27 | 109.9° | 109.3° |
| C25 | C31 | H8 | 110.4° | 109.6° |
| C25 | C31 | H9 | 110.3° | 109.6° |
| C31 | C25 | H23 | 108.8° | 109.5° |
| N17 | C25 | C27 | 109.5° | 109.5° |
| C25 | N17 | C18 | 125.9° | 125.3° |
| C25 | N17 | N16 | 125.2° | 125.3° |
| N17 | C25 | H23 | 109.8° | 109.5° |
| C25 | C27 | C28 | 110.9° | 109.5° |
| C25 | C27 | H6 | 109.1° | 109.5° |
| C25 | C27 | H7 | 109.1° | 109.5° |
| C27 | C25 | H23 | 108.9° | 109.5° |
| C29 | C28 | C27 | 110.4° | 109.3° |
| C29 | C28 | H24 | 109.2° | 109.6° |
| C29 | C28 | H25 | 109.2° | 109.6° |
| C28 | C29 | H26 | 110.2° | 109.6° |
| C28 | C29 | H27 | 110.2° | 109.5° |
| N17 | C18 | C24 | 106.8° | 106.9° |
| C18 | N17 | N16 | 108.9° | 109.4° |
| C18 | C24 | C22 | 117.7° | 118.6° |
| C18 | C24 | C15 | 106.1° | 106.5° |
| C28 | C27 | H6 | 109.1° | 109.5° |
| C28 | C27 | H7 | 109.1° | 109.4° |
| C27 | C28 | H24 | 109.2° | 109.5° |
| C27 | C28 | H25 | 109.2° | 109.5° |
| N17 | N16 | C15 | 111.7° | 109.9° |
| C24 | C22 | N23 | 121.7° | 120.9° |
| C22 | C24 | C15 | 136.2° | 135.0° |
| C22 | N23 | H21 | 109.5° | 120.0° |
| C22 | N23 | H22 | 109.5° | 120.0° |
| C24 | C15 | N16 | 106.5° | 107.3° |
| C24 | C15 | C14 | 130.2° | 126.3° |
| N16 | C15 | C14 | 123.2° | 126.3° |
| C15 | C14 | C2 | 120.7° | 120.1° |
| C15 | C14 | C13 | 120.5° | 120.1° |
| C2 | C14 | C13 | 118.8° | 119.8° |
| C14 | C2 | F1 | 119.3° | 120.0° |
| C14 | C2 | C3 | 122.6° | 119.9° |
| C14 | C13 | C12 | 119.3° | 120.0° |
| C14 | C13 | H19 | 120.3° | 120.0° |
| F1 | C2 | C3 | 118.0° | 120.1° |
| C2 | C3 | C4 | 118.3° | 120.1° |
| C2 | C3 | H1 | 120.8° | 119.9° |
| C13 | C12 | C4 | 120.6° | 120.1° |
| C13 | C12 | H5 | 119.7° | 119.9° |
| C12 | C13 | H19 | 120.3° | 120.0° |
| C3 | C4 | C12 | 120.3° | 120.2° |
| C3 | C4 | O5 | 118.5° | 120.0° |
| C4 | C3 | H1 | 120.9° | 120.0° |
| C12 | C4 | O5 | 121.2° | 119.8° |
| C4 | C12 | H5 | 119.7° | 120.0° |
| C4 | O5 | C6 | 123.2° | 118.0° |
| C10 | C11 | C6 | 119.4° | 119.9° |
| C11 | C10 | C9 | 120.3° | 120.1° |
| C10 | C11 | H4 | 120.3° | 120.0° |
| C11 | C10 | H18 | 119.9° | 120.0° |
| C11 | C6 | O5 | 123.3° | 120.0° |
| C11 | C6 | C7 | 120.0° | 119.9° |
| C6 | C11 | H4 | 120.3° | 120.0° |
| O5 | C6 | C7 | 116.6° | 120.0° |
| C10 | C9 | C8 | 120.1° | 120.1° |
| C10 | C9 | H17 | 120.0° | 120.0° |
| C9 | C10 | H18 | 119.8° | 120.0° |
| C6 | C7 | C8 | 120.7° | 119.9° |
| C6 | C7 | H2 | 119.6° | 120.0° |
| C9 | C8 | C7 | 119.4° | 120.1° |
| C9 | C8 | H3 | 120.3° | 120.0° |
| C8 | C9 | H17 | 120.0° | 119.9° |
| C8 | C7 | H2 | 119.6° | 120.1° |
| C7 | C8 | H3 | 120.3° | 119.9° |
| H6 | C27 | H7 | 109.5° | 109.5° |
| H8 | C31 | H9 | 109.5° | 109.6° |
| H11 | C39 | H12 | 109.4° | 109.5° |
| H11 | C39 | H13 | 109.5° | 109.5° |
| H12 | C39 | H13 | 109.5° | 109.4° |
| H14 | C40 | H15 | 109.5° | 109.5° |
| H14 | C40 | H16 | 109.5° | 109.4° |
| H15 | C40 | H16 | 109.5° | 109.5° |
| H21 | N23 | H22 | 109.4° | 120.0° |
| H24 | C28 | H25 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.6° |
| H29 | C42 | H30 | 109.4° | 109.5° |
| H31 | C43 | H32 | 109.5° | 109.5° |
| H34 | C45 | H35 | 109.4° | 109.5° |
| H36 | C46 | H37 | 109.5° | 109.5° |
| H39 | C48 | H40 | 109.5° | 113.0° |
| H41 | C50 | H42 | 109.5° | 113.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O49 | C50 | C47 | H41 | 116.1° | 114.1° |
| O49 | C50 | C47 | H42 | 116.1° | 114.1° |
| O49 | C50 | C47 | C48 | 9.6° | 22.6° |
| O49 | C50 | C47 | N44 | 104.7° | 136.8° |
| O49 | C50 | C47 | H38 | 123.0° | 91.7° |
| C50 | O49 | C48 | H39 | 126.4° | 138.3° |
| C50 | O49 | C48 | H40 | 105.8° | 90.0° |
| O49 | C50 | H41 | H42 | 130.4° | 132.1° |
| C50 | C47 | N44 | C45 | 46.9° | 74.0° |
| C50 | C47 | C48 | N44 | 114.0° | 114.2° |
| C50 | C47 | C48 | H38 | 113.4° | 114.4° |
| C50 | C47 | N44 | H38 | 130.9° | 131.9° |
| C50 | C47 | N44 | C43 | 171.5° | 162.2° |
| C50 | C47 | C48 | H39 | 125.7° | 136.7° |
| C50 | C47 | C48 | H40 | 106.4° | 91.7° |
| C47 | C50 | H41 | H42 | 130.4° | 132.1° |
| O49 | C48 | C47 | H39 | 116.1° | 114.1° |
| O49 | C48 | C47 | H40 | 116.1° | 114.3° |
| O49 | C48 | C47 | N44 | 104.3° | 136.8° |
| O49 | C48 | C47 | H38 | 123.0° | 91.8° |
| O49 | C48 | H39 | H40 | 130.4° | 132.1° |
| C48 | O49 | C50 | H41 | 105.8° | 89.9° |
| C48 | O49 | C50 | H42 | 126.4° | 138.4° |
| C46 | C45 | N44 | H34 | 120.9° | 120.0° |
| C46 | C45 | N44 | H35 | 120.9° | 120.0° |
| C46 | C45 | N44 | C47 | 174.5° | 176.8° |
| C45 | C46 | N41 | H36 | 120.6° | 119.9° |
| C45 | C46 | N41 | H37 | 120.6° | 120.0° |
| C46 | C45 | N44 | C43 | 48.9° | 59.3° |
| C45 | C46 | N41 | C38 | 168.2° | 176.8° |
| C45 | C46 | N41 | C42 | 40.9° | 59.3° |
| C46 | C45 | H34 | H35 | 117.4° | 120.1° |
| C45 | C46 | H36 | H37 | 118.2° | 120.0° |
| C45 | N44 | C47 | C48 | 144.6° | 170.2° |
| C45 | N44 | C47 | C43 | 124.6° | 123.8° |
| N44 | C45 | C46 | N41 | 42.4° | 58.4° |
| C45 | N44 | C43 | C42 | 58.1° | 59.3° |
| C45 | N44 | C43 | H31 | 179.0° | 60.7° |
| C45 | N44 | C43 | H32 | 62.7° | 179.3° |
| N44 | C45 | H34 | H35 | 117.4° | 120.0° |
| N44 | C45 | C46 | H36 | 162.9° | 61.6° |
| N44 | C45 | C46 | H37 | 78.2° | 178.4° |
| C45 | N44 | C47 | H38 | 84.0° | 57.9° |
| C48 | C47 | N44 | H38 | 131.4° | 131.8° |
| C48 | C47 | N44 | C43 | 90.8° | 65.9° |
| C47 | C48 | H39 | H40 | 130.4° | 132.0° |
| C48 | C47 | C50 | H41 | 106.4° | 91.5° |
| C48 | C47 | C50 | H42 | 125.7° | 136.7° |
| C47 | N44 | C43 | C42 | 174.4° | 176.8° |
| C47 | N44 | C43 | H31 | 53.5° | 63.2° |
| C47 | N44 | C43 | H32 | 64.8° | 56.8° |
| C47 | N44 | C45 | H34 | 64.7° | 63.2° |
| C47 | N44 | C45 | H35 | 53.6° | 56.8° |
| N44 | C47 | C48 | H39 | 11.8° | 109.0° |
| N44 | C47 | C48 | H40 | 139.6° | 22.6° |
| N44 | C47 | C50 | H41 | 139.2° | 22.7° |
| N44 | C47 | C50 | H42 | 11.4° | 109.1° |
| C46 | N41 | C38 | C40 | 18.2° | 57.4° |
| C46 | N41 | C38 | C42 | 149.1° | 123.8° |
| C46 | N41 | C42 | C43 | 47.0° | 59.3° |
| C46 | N41 | C38 | C37 | 136.2° | 62.6° |
| C46 | N41 | C38 | C39 | 99.4° | 177.4° |
| C46 | N41 | C42 | H29 | 166.9° | 179.3° |
| C46 | N41 | C42 | H30 | 72.9° | 60.6° |
| N41 | C46 | C45 | H34 | 163.2° | 61.6° |
| N41 | C46 | C45 | H35 | 78.5° | 178.4° |
| N41 | C46 | H36 | H37 | 118.2° | 120.1° |
| N44 | C43 | C42 | N41 | 55.5° | 58.4° |
| N44 | C43 | C42 | H31 | 120.9° | 120.0° |
| N44 | C43 | C42 | H32 | 120.9° | 120.0° |
| N44 | C43 | C42 | H29 | 175.4° | 178.3° |
| N44 | C43 | C42 | H30 | 64.4° | 61.6° |
| N44 | C43 | H31 | H32 | 117.4° | 120.1° |
| C43 | N44 | C45 | H34 | 169.8° | 60.7° |
| C43 | N44 | C45 | H35 | 71.9° | 179.3° |
| C43 | N44 | C47 | H38 | 40.6° | 65.9° |
| C40 | C38 | N41 | C37 | 118.0° | 120.0° |
| C40 | C38 | N41 | C39 | 117.6° | 120.0° |
| C40 | C38 | N41 | C42 | 167.3° | 66.4° |
| C40 | C38 | C37 | C39 | 111.2° | 120.0° |
| C40 | C38 | C37 | C34 | 127.1° | 169.9° |
| C40 | C38 | C37 | H10 | 52.9° | 10.2° |
| C40 | C38 | C39 | H11 | 180.0° | 60.0° |
| C40 | C38 | C39 | H12 | 60.0° | 60.1° |
| C40 | C38 | C39 | H13 | 60.0° | 179.9° |
| C38 | C40 | H14 | H15 | 120.0° | 120.0° |
| C38 | C40 | H14 | H16 | 120.0° | 119.9° |
| C38 | C40 | H15 | H16 | 120.0° | 120.0° |
| C38 | N41 | C42 | C43 | 165.2° | 176.8° |
| N41 | C38 | C37 | C39 | 127.2° | 120.0° |
| N41 | C38 | C37 | C34 | 5.4° | 49.9° |
| N41 | C38 | C37 | H10 | 174.6° | 130.2° |
| N41 | C38 | C39 | H11 | 58.5° | 180.0° |
| N41 | C38 | C39 | H12 | 178.5° | 60.0° |
| N41 | C38 | C39 | H13 | 61.5° | 59.9° |
| N41 | C38 | C40 | H14 | 180.0° | 60.0° |
| N41 | C38 | C40 | H15 | 60.0° | 60.0° |
| N41 | C38 | C40 | H16 | 60.0° | 180.0° |
| C38 | N41 | C42 | H29 | 45.3° | 56.9° |
| C38 | N41 | C42 | H30 | 74.9° | 63.2° |
| C38 | N41 | C46 | H36 | 47.6° | 63.3° |
| C38 | N41 | C46 | H37 | 71.2° | 56.9° |
| N41 | C42 | C43 | H29 | 119.9° | 120.0° |
| N41 | C42 | C43 | H30 | 119.9° | 119.9° |
| C42 | N41 | C38 | C37 | 74.8° | 173.6° |
| C42 | N41 | C38 | C39 | 49.7° | 53.6° |
| N41 | C42 | H29 | H30 | 120.3° | 120.1° |
| N41 | C42 | C43 | H31 | 176.3° | 61.6° |
| N41 | C42 | C43 | H32 | 65.4° | 178.4° |
| C42 | N41 | C46 | H36 | 161.4° | 60.6° |
| C42 | N41 | C46 | H37 | 79.7° | 179.3° |
| C43 | C42 | H29 | H30 | 120.3° | 120.1° |
| C42 | C43 | H31 | H32 | 117.3° | 120.0° |
| C38 | C37 | C34 | H10 | 180.0° | 179.9° |
| C38 | C37 | C34 | C35 | 1.0° | 6.0° |
| C38 | C37 | C34 | C32 | 178.9° | 173.9° |
| C37 | C38 | C39 | H11 | 68.6° | 60.0° |
| C37 | C38 | C39 | H12 | 51.4° | 179.9° |
| C37 | C38 | C39 | H13 | 171.4° | 60.0° |
| C37 | C38 | C40 | H14 | 56.9° | 60.0° |
| C37 | C38 | C40 | H15 | 63.1° | 180.0° |
| C37 | C38 | C40 | H16 | 176.9° | 60.0° |
| C39 | C38 | C37 | C34 | 121.8° | 70.1° |
| C39 | C38 | C37 | H10 | 58.2° | 109.8° |
| C38 | C39 | H11 | H12 | 120.0° | 120.0° |
| C38 | C39 | H11 | H13 | 120.0° | 120.1° |
| C38 | C39 | H12 | H13 | 120.0° | 120.0° |
| C39 | C38 | C40 | H14 | 57.0° | 180.0° |
| C39 | C38 | C40 | H15 | 177.0° | 60.0° |
| C39 | C38 | C40 | H16 | 63.0° | 60.0° |
| N36 | C35 | C34 | C37 | 169.2° | 48.2° |
| N36 | C35 | C34 | C32 | 12.8° | 131.7° |
| C37 | C34 | C35 | C32 | 178.0° | 179.9° |
| C37 | C34 | C32 | O33 | 106.7° | 76.9° |
| C37 | C34 | C32 | N30 | 72.2° | 103.1° |
| C35 | C34 | C32 | O33 | 71.5° | 103.0° |
| C35 | C34 | C32 | N30 | 109.5° | 77.0° |
| C35 | C34 | C37 | H10 | 179.1° | 173.9° |
| C34 | C32 | O33 | N30 | 179.0° | 180.0° |
| C34 | C32 | N30 | C31 | 179.0° | 173.5° |
| C34 | C32 | N30 | C29 | 1.4° | 6.5° |
| C32 | C34 | C37 | H10 | 1.1° | 6.2° |
| O33 | C32 | N30 | C31 | 0.2° | 6.5° |
| O33 | C32 | N30 | C29 | 179.7° | 173.5° |
| C32 | N30 | C31 | C29 | 179.6° | 180.0° |
| C32 | N30 | C31 | C25 | 114.4° | 126.4° |
| C32 | N30 | C29 | C28 | 114.0° | 126.4° |
| C32 | N30 | C31 | H8 | 126.2° | 6.6° |
| C32 | N30 | C31 | H9 | 5.1° | 113.7° |
| C32 | N30 | C29 | H26 | 5.5° | 113.8° |
| C32 | N30 | C29 | H27 | 126.4° | 6.6° |
| N19 | C20 | N21 | H20 | 180.0° | 179.7° |
| N19 | C20 | N21 | C22 | 1.4° | 0.5° |
| C20 | N19 | C18 | N17 | 179.6° | 180.0° |
| C20 | N19 | C18 | C24 | 0.5° | 0.0° |
| N21 | C20 | N19 | C18 | 1.5° | 0.3° |
| C20 | N21 | C22 | C24 | 0.1° | 0.4° |
| C20 | N21 | C22 | N23 | 179.1° | 179.7° |
| N19 | C18 | N17 | C25 | 1.2° | 0.1° |
| N19 | C18 | N17 | C24 | 179.2° | 179.9° |
| N19 | C18 | N17 | N16 | 179.8° | 180.0° |
| N19 | C18 | C24 | C22 | 0.6° | 0.2° |
| N19 | C18 | C24 | C15 | 179.5° | 179.8° |
| C18 | N19 | C20 | H20 | 178.4° | 180.0° |
| N30 | C31 | C25 | H8 | 119.4° | 119.7° |
| N30 | C31 | C25 | H9 | 119.5° | 119.9° |
| N30 | C31 | C25 | N17 | 178.2° | 174.6° |
| N30 | C31 | C25 | C27 | 57.6° | 54.6° |
| C31 | N30 | C29 | C28 | 66.4° | 53.6° |
| N30 | C31 | H8 | H9 | 121.6° | 120.4° |
| N30 | C31 | C25 | H23 | 61.5° | 65.3° |
| C31 | N30 | C29 | H26 | 174.1° | 66.2° |
| C31 | N30 | C29 | H27 | 53.2° | 173.5° |
| C29 | N30 | C31 | C25 | 66.0° | 53.6° |
| N30 | C29 | C28 | H26 | 119.5° | 119.8° |
| N30 | C29 | C28 | H27 | 119.6° | 119.9° |
| N30 | C29 | C28 | C27 | 58.1° | 54.6° |
| C29 | N30 | C31 | H8 | 53.5° | 173.4° |
| C29 | N30 | C31 | H9 | 174.5° | 66.2° |
| N30 | C29 | C28 | H24 | 62.0° | 174.6° |
| N30 | C29 | C28 | H25 | 178.3° | 65.3° |
| N30 | C29 | H26 | H27 | 121.4° | 120.4° |
| N21 | C22 | C24 | C18 | 0.8° | 0.0° |
| N21 | C22 | C24 | N23 | 179.0° | 180.0° |
| N21 | C22 | C24 | C15 | 179.3° | 180.0° |
| C22 | N21 | C20 | H20 | 178.6° | 179.8° |
| N21 | C22 | N23 | H21 | 0.0° | 4.0° |
| N21 | C22 | N23 | H22 | 120.0° | 175.9° |
| C31 | C25 | N17 | C27 | 120.8° | 119.9° |
| C31 | C25 | N17 | H23 | 119.7° | 120.1° |
| C31 | C25 | C27 | H23 | 119.1° | 119.9° |
| C31 | C25 | N17 | C18 | 102.3° | 120.0° |
| C31 | C25 | C27 | C28 | 55.0° | 61.3° |
| C31 | C25 | N17 | N16 | 79.3° | 60.0° |
| C31 | C25 | C27 | H6 | 65.2° | 58.7° |
| C31 | C25 | C27 | H7 | 175.2° | 178.7° |
| C25 | C31 | H8 | H9 | 121.6° | 120.3° |
| N17 | C25 | C27 | H23 | 120.1° | 120.1° |
| C25 | N17 | C18 | N16 | 178.6° | 180.0° |
| C25 | N17 | C18 | C24 | 179.6° | 180.0° |
| N17 | C25 | C27 | C28 | 175.8° | 178.7° |
| C25 | N17 | N16 | C15 | 179.9° | 179.8° |
| N17 | C25 | C27 | H6 | 55.6° | 61.3° |
| N17 | C25 | C27 | H7 | 64.0° | 58.7° |
| N17 | C25 | C31 | H8 | 58.7° | 65.6° |
| N17 | C25 | C31 | H9 | 62.4° | 54.7° |
| C25 | C27 | C28 | C29 | 55.3° | 61.4° |
| C27 | C25 | N17 | C18 | 136.9° | 120.1° |
| C25 | C27 | C28 | H6 | 120.2° | 120.0° |
| C25 | C27 | C28 | H7 | 120.2° | 120.0° |
| C27 | C25 | N17 | N16 | 41.5° | 59.8° |
| C25 | C27 | H6 | H7 | 119.4° | 120.0° |
| C27 | C25 | C31 | H8 | 61.8° | 174.4° |
| C27 | C25 | C31 | H9 | 177.0° | 65.3° |
| C25 | C27 | C28 | H24 | 64.8° | 178.6° |
| C25 | C27 | C28 | H25 | 175.4° | 58.6° |
| C29 | C28 | C27 | H24 | 120.1° | 120.0° |
| C29 | C28 | C27 | H25 | 120.1° | 120.0° |
| C29 | C28 | C27 | H6 | 64.9° | 58.7° |
| C29 | C28 | C27 | H7 | 175.5° | 178.6° |
| C29 | C28 | H24 | H25 | 119.6° | 120.2° |
| C28 | C29 | H26 | H27 | 121.4° | 120.3° |
| N17 | C18 | C24 | C22 | 178.7° | 179.9° |
| N17 | C18 | C24 | C15 | 0.2° | 0.1° |
| C18 | N17 | N16 | C15 | 1.5° | 0.2° |
| C18 | N17 | C25 | H23 | 17.4° | 0.0° |
| C24 | C18 | N17 | N16 | 1.0° | 0.0° |
| C18 | C24 | C22 | C15 | 178.5° | 180.0° |
| C18 | C24 | C22 | N23 | 178.2° | 180.0° |
| C18 | C24 | C15 | N16 | 0.6° | 0.3° |
| C18 | C24 | C15 | C14 | 177.7° | 180.0° |
| C28 | C27 | H6 | H7 | 119.4° | 119.9° |
| C28 | C27 | C25 | H23 | 64.1° | 58.6° |
| C27 | C28 | H24 | H25 | 119.6° | 120.0° |
| C27 | C28 | C29 | H26 | 177.6° | 65.1° |
| C27 | C28 | C29 | H27 | 61.4° | 174.6° |
| N17 | N16 | C15 | C24 | 1.3° | 0.3° |
| N17 | N16 | C15 | C14 | 178.6° | 180.0° |
| N16 | N17 | C25 | H23 | 161.0° | 179.9° |
| C22 | C24 | C15 | N16 | 179.2° | 179.8° |
| C22 | C24 | C15 | C14 | 3.7° | 0.0° |
| C24 | C22 | N23 | H21 | 178.9° | 176.0° |
| C24 | C22 | N23 | H22 | 61.1° | 4.0° |
| N23 | C22 | C24 | C15 | 0.3° | 0.0° |
| C22 | N23 | H21 | H22 | 120.0° | 179.9° |
| C24 | C15 | N16 | C14 | 177.3° | 179.7° |
| C24 | C15 | C14 | C2 | 59.9° | 100.0° |
| C24 | C15 | C14 | C13 | 121.7° | 80.5° |
| N16 | C15 | C14 | C2 | 116.8° | 79.6° |
| N16 | C15 | C14 | C13 | 61.6° | 99.8° |
| C15 | C14 | C2 | C13 | 178.4° | 179.5° |
| C15 | C14 | C2 | F1 | 0.0° | 0.3° |
| C15 | C14 | C2 | C3 | 179.5° | 180.0° |
| C15 | C14 | C13 | C12 | 179.9° | 180.0° |
| C15 | C14 | C13 | H19 | 0.1° | 0.3° |
| C14 | C2 | F1 | C3 | 179.6° | 179.7° |
| C2 | C14 | C13 | C12 | 1.7° | 0.6° |
| C14 | C2 | C3 | C4 | 0.2° | 0.2° |
| C14 | C2 | C3 | H1 | 179.8° | 179.7° |
| C2 | C14 | C13 | H19 | 178.3° | 179.8° |
| C13 | C14 | C2 | F1 | 178.5° | 179.8° |
| C13 | C14 | C2 | C3 | 1.1° | 0.5° |
| C14 | C13 | C12 | H19 | 180.0° | 179.7° |
| C14 | C13 | C12 | C4 | 1.1° | 0.3° |
| C14 | C13 | C12 | H5 | 178.9° | 179.7° |
| F1 | C2 | C3 | C4 | 179.7° | 180.0° |
| F1 | C2 | C3 | H1 | 0.3° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C12 | 0.8° | 0.0° |
| C2 | C3 | C4 | O5 | 179.7° | 180.0° |
| C13 | C12 | C4 | C3 | 0.2° | 0.0° |
| C13 | C12 | C4 | H5 | 180.0° | 180.0° |
| C13 | C12 | C4 | O5 | 179.1° | 180.0° |
| C3 | C4 | C12 | O5 | 178.9° | 180.0° |
| C3 | C4 | O5 | C6 | 125.1° | 105.9° |
| C3 | C4 | C12 | H5 | 179.8° | 180.0° |
| C12 | C4 | O5 | C6 | 56.0° | 74.1° |
| C12 | C4 | C3 | H1 | 179.2° | 179.9° |
| C4 | C12 | C13 | H19 | 178.9° | 180.0° |
| C4 | O5 | C6 | C11 | 24.3° | 2.8° |
| C4 | O5 | C6 | C7 | 158.0° | 177.5° |
| O5 | C4 | C3 | H1 | 0.3° | 0.1° |
| O5 | C4 | C12 | H5 | 1.0° | 0.0° |
| C10 | C11 | C6 | H4 | 180.0° | 179.9° |
| C10 | C11 | C6 | O5 | 177.5° | 179.7° |
| C11 | C10 | C9 | H18 | 180.0° | 180.0° |
| C10 | C11 | C6 | C7 | 0.1° | 0.0° |
| C11 | C10 | C9 | C8 | 1.3° | 0.0° |
| C11 | C10 | C9 | H17 | 178.7° | 180.0° |
| C11 | C6 | O5 | C7 | 177.7° | 179.7° |
| C6 | C11 | C10 | C9 | 1.8° | 0.0° |
| C11 | C6 | C7 | C8 | 2.0° | 0.0° |
| C11 | C6 | C7 | H2 | 178.0° | 180.0° |
| C6 | C11 | C10 | H18 | 178.2° | 180.0° |
| O5 | C6 | C7 | C8 | 179.8° | 179.7° |
| O5 | C6 | C7 | H2 | 0.2° | 0.4° |
| O5 | C6 | C11 | H4 | 2.5° | 0.3° |
| C10 | C9 | C8 | H17 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.8° | 0.0° |
| C10 | C9 | C8 | H3 | 179.2° | 180.0° |
| C9 | C10 | C11 | H4 | 178.2° | 180.0° |
| C6 | C7 | C8 | C9 | 2.5° | 0.0° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | H3 | 177.5° | 180.0° |
| C7 | C6 | C11 | H4 | 179.9° | 179.9° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | H2 | 177.5° | 180.0° |
| C8 | C9 | C10 | H18 | 178.7° | 180.0° |
| C7 | C8 | C9 | H17 | 179.1° | 180.0° |
| H2 | C7 | C8 | H3 | 2.5° | 0.0° |
| H3 | C8 | C9 | H17 | 0.9° | 0.0° |
| H4 | C11 | C10 | H18 | 1.8° | 0.1° |
| H5 | C12 | C13 | H19 | 1.1° | 0.0° |
| H6 | C27 | C25 | H23 | 175.7° | 178.6° |
| H6 | C27 | C28 | H24 | 175.0° | 61.3° |
| H6 | C27 | C28 | H25 | 55.2° | 178.7° |
| H7 | C27 | C25 | H23 | 56.1° | 61.4° |
| H7 | C27 | C28 | H24 | 55.4° | 58.6° |
| H7 | C27 | C28 | H25 | 64.3° | 61.4° |
| H8 | C31 | C25 | H23 | 179.0° | 54.5° |
| H9 | C31 | C25 | H23 | 57.9° | 174.8° |
| H11 | C39 | H12 | H13 | 120.0° | 120.0° |
| H14 | C40 | H15 | H16 | 120.0° | 120.0° |
| H17 | C9 | C10 | H18 | 1.3° | 0.0° |
| H24 | C28 | C29 | H26 | 57.5° | 54.8° |
| H24 | C28 | C29 | H27 | 178.5° | 65.5° |
| H25 | C28 | C29 | H26 | 62.2° | 174.9° |
| H25 | C28 | C29 | H27 | 58.7° | 54.6° |
| H29 | C42 | C43 | H31 | 63.8° | 58.4° |
| H29 | C42 | C43 | H32 | 54.5° | 61.7° |
| H30 | C42 | C43 | H31 | 56.4° | 178.5° |
| H30 | C42 | C43 | H32 | 174.7° | 58.4° |
| H34 | C45 | C46 | H36 | 76.2° | 178.4° |
| H34 | C45 | C46 | H37 | 42.6° | 58.4° |
| H35 | C45 | C46 | H36 | 42.1° | 58.4° |
| H35 | C45 | C46 | H37 | 160.9° | 61.7° |
| H38 | C47 | C48 | H39 | 120.9° | 22.4° |
| H38 | C47 | C48 | H40 | 6.9° | 154.0° |
| H38 | C47 | C50 | H41 | 6.9° | 154.2° |
| H38 | C47 | C50 | H42 | 120.9° | 22.4° |
