2R8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C47 | C45 | sing | 1.53Å | 1.54Å | |
| C48 | C45 | sing | 1.53Å | 1.55Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | O44 | sing | 1.45Å | 1.43Å | |
| O44 | C42 | sing | 1.35Å | 1.33Å | |
| C42 | O43 | doub | 1.21Å | 1.19Å | |
| C42 | N41 | sing | 1.35Å | 1.35Å | |
| O49 | C50 | sing | 1.43Å | 1.43Å | |
| O49 | C31 | sing | 1.36Å | 1.38Å | |
| N41 | C36 | sing | 1.47Å | 1.45Å | |
| C40 | C37 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | doub | 1.40Å | 1.46Å | Aromatic |
| C32 | C33 | sing | 1.36Å | 1.44Å | Aromatic |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C31 | C30 | sing | 1.38Å | 1.46Å | Aromatic |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C36 | C34 | sing | 1.51Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.56Å | |
| C33 | C15 | doub | 1.40Å | 1.46Å | Aromatic |
| O35 | C34 | doub | 1.21Å | 1.23Å | |
| C30 | C14 | doub | 1.40Å | 1.44Å | Aromatic |
| C34 | N5 | sing | 1.35Å | 1.35Å | |
| C15 | C14 | sing | 1.42Å | 1.52Å | Aromatic |
| C15 | C10 | sing | 1.41Å | 1.44Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.45Å | Aromatic |
| N5 | C4 | sing | 1.47Å | 1.49Å | |
| N5 | C1 | sing | 1.47Å | 1.47Å | |
| O6 | C10 | sing | 1.35Å | 1.38Å | |
| O6 | C3 | sing | 1.43Å | 1.41Å | |
| C21 | C20 | doub | 1.31Å | 1.34Å | |
| C4 | C3 | sing | 1.55Å | 1.54Å | |
| C10 | N11 | doub | 1.32Å | 1.39Å | Aromatic |
| C17 | C20 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| C17 | C16 | sing | 1.53Å | 1.49Å | |
| C1 | C7 | sing | 1.51Å | 1.53Å | |
| C1 | C2 | sing | 1.54Å | 1.52Å | |
| C18 | C16 | sing | 1.53Å | 1.48Å | |
| C13 | C12 | doub | 1.36Å | 1.45Å | Aromatic |
| C3 | C2 | sing | 1.55Å | 1.53Å | |
| N9 | C7 | sing | 1.35Å | 1.38Å | |
| N9 | C16 | sing | 1.47Å | 1.42Å | |
| C7 | O8 | doub | 1.21Å | 1.23Å | |
| N11 | C12 | sing | 1.33Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.51Å | 1.49Å | |
| C19 | O22 | doub | 1.21Å | 1.23Å | |
| C19 | N23 | sing | 1.35Å | 1.33Å | |
| N23 | S24 | sing | 1.66Å | 1.61Å | |
| S24 | O26 | doub | 1.42Å | 1.43Å | |
| S24 | O25 | doub | 1.42Å | 1.41Å | |
| S24 | C27 | sing | 1.81Å | 1.71Å | |
| C27 | C28 | sing | 1.53Å | 1.48Å | |
| C27 | C29 | sing | 1.53Å | 1.46Å | |
| C28 | C29 | sing | 1.53Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| N23 | H10 | sing | 0.97Å | 1.00Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.08Å | 1.08Å | |
| C33 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| N9 | H17 | sing | 0.97Å | 1.00Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| N41 | H35 | sing | 0.97Å | 1.00Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C46 | H38 | sing | 1.09Å | 1.10Å | |
| C47 | H39 | sing | 1.09Å | 1.10Å | |
| C47 | H40 | sing | 1.09Å | 1.10Å | |
| C47 | H41 | sing | 1.09Å | 1.10Å | |
| C48 | H42 | sing | 1.09Å | 1.10Å | |
| C48 | H43 | sing | 1.09Å | 1.10Å | |
| C48 | H44 | sing | 1.09Å | 1.10Å | |
| C50 | H45 | sing | 1.09Å | 1.10Å | |
| C50 | H46 | sing | 1.09Å | 1.10Å | |
| C50 | H47 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C47 | C45 | C48 | 110.8° | 109.5° |
| C47 | C45 | C46 | 107.3° | 109.5° |
| C47 | C45 | O44 | 106.0° | 109.5° |
| C45 | C47 | H39 | 109.5° | 109.4° |
| C45 | C47 | H40 | 109.5° | 109.5° |
| C45 | C47 | H41 | 109.5° | 109.5° |
| C48 | C45 | C46 | 111.9° | 109.5° |
| C48 | C45 | O44 | 109.8° | 109.5° |
| C45 | C48 | H42 | 109.5° | 109.4° |
| C45 | C48 | H43 | 109.5° | 109.4° |
| C45 | C48 | H44 | 109.4° | 109.5° |
| C46 | C45 | O44 | 110.8° | 109.5° |
| C45 | C46 | H36 | 109.5° | 109.5° |
| C45 | C46 | H37 | 109.5° | 109.5° |
| C45 | C46 | H38 | 109.5° | 109.4° |
| C45 | O44 | C42 | 124.2° | 117.0° |
| O44 | C42 | O43 | 124.6° | 120.0° |
| O44 | C42 | N41 | 111.9° | 120.0° |
| O43 | C42 | N41 | 123.5° | 120.0° |
| C42 | N41 | C36 | 120.1° | 120.0° |
| C42 | N41 | H35 | 120.0° | 120.1° |
| C50 | O49 | C31 | 117.6° | 117.0° |
| O49 | C50 | H45 | 109.5° | 109.4° |
| O49 | C50 | H46 | 109.5° | 109.5° |
| O49 | C50 | H47 | 109.5° | 109.5° |
| O49 | C31 | C32 | 114.1° | 119.7° |
| O49 | C31 | C30 | 123.0° | 119.6° |
| N41 | C36 | C37 | 108.7° | 109.5° |
| N41 | C36 | C34 | 109.6° | 109.5° |
| N41 | C36 | H25 | 109.6° | 109.4° |
| C36 | N41 | H35 | 120.0° | 119.9° |
| C40 | C37 | C38 | 107.3° | 109.5° |
| C40 | C37 | C36 | 107.9° | 109.5° |
| C40 | C37 | C39 | 110.7° | 109.5° |
| C37 | C40 | H32 | 109.5° | 109.5° |
| C37 | C40 | H33 | 109.5° | 109.5° |
| C37 | C40 | H34 | 109.5° | 109.4° |
| C31 | C32 | C33 | 119.0° | 121.0° |
| C32 | C31 | C30 | 122.8° | 120.7° |
| C31 | C32 | H13 | 120.5° | 119.5° |
| C32 | C33 | C15 | 119.0° | 119.7° |
| C33 | C32 | H13 | 120.5° | 119.5° |
| C32 | C33 | H14 | 120.5° | 120.2° |
| C38 | C37 | C36 | 111.2° | 109.5° |
| C38 | C37 | C39 | 111.5° | 109.5° |
| C37 | C38 | H26 | 109.5° | 109.5° |
| C37 | C38 | H27 | 109.5° | 109.5° |
| C37 | C38 | H28 | 109.5° | 109.5° |
| C31 | C30 | C14 | 119.9° | 119.3° |
| C31 | C30 | H12 | 120.0° | 120.3° |
| C37 | C36 | C34 | 112.0° | 109.4° |
| C36 | C37 | C39 | 108.3° | 109.5° |
| C37 | C36 | H25 | 108.3° | 109.5° |
| C36 | C34 | O35 | 120.6° | 120.0° |
| C36 | C34 | N5 | 116.7° | 120.0° |
| C34 | C36 | H25 | 108.6° | 109.5° |
| C37 | C39 | H29 | 109.5° | 109.5° |
| C37 | C39 | H30 | 109.4° | 109.5° |
| C37 | C39 | H31 | 109.5° | 109.5° |
| C33 | C15 | C14 | 122.5° | 119.6° |
| C33 | C15 | C10 | 122.6° | 121.9° |
| C15 | C33 | H14 | 120.5° | 120.1° |
| O35 | C34 | N5 | 122.8° | 120.1° |
| C30 | C14 | C15 | 116.7° | 119.6° |
| C30 | C14 | C13 | 122.9° | 122.1° |
| C14 | C30 | H12 | 120.0° | 120.3° |
| C34 | N5 | C4 | 131.6° | 125.7° |
| C34 | N5 | C1 | 117.0° | 125.6° |
| C14 | C15 | C10 | 114.9° | 118.5° |
| C15 | C14 | C13 | 120.5° | 118.3° |
| C15 | C10 | O6 | 117.5° | 120.1° |
| C15 | C10 | N11 | 121.5° | 119.8° |
| C14 | C13 | C12 | 120.5° | 118.8° |
| C14 | C13 | H6 | 119.8° | 120.6° |
| C4 | N5 | C1 | 111.4° | 108.7° |
| N5 | C4 | C3 | 101.2° | 104.9° |
| N5 | C4 | H15 | 111.5° | 110.3° |
| N5 | C4 | H16 | 111.5° | 110.5° |
| N5 | C1 | C7 | 116.1° | 109.8° |
| N5 | C1 | C2 | 100.7° | 107.3° |
| N5 | C1 | H1 | 109.4° | 110.0° |
| C10 | O6 | C3 | 116.2° | 117.0° |
| O6 | C10 | N11 | 120.9° | 120.1° |
| O6 | C3 | C4 | 104.6° | 111.1° |
| O6 | C3 | C2 | 108.8° | 111.0° |
| O6 | C3 | H4 | 116.2° | 110.9° |
| C21 | C20 | C17 | 146.2° | 120.0° |
| C21 | C20 | H7 | 106.9° | 120.0° |
| C20 | C21 | H8 | 120.0° | 120.0° |
| C20 | C21 | H9 | 120.0° | 120.0° |
| C4 | C3 | C2 | 97.3° | 101.5° |
| C4 | C3 | H4 | 113.9° | 111.0° |
| C3 | C4 | H15 | 111.5° | 110.3° |
| C3 | C4 | H16 | 111.5° | 110.4° |
| C10 | N11 | C12 | 125.6° | 122.7° |
| C20 | C17 | C18 | 121.7° | 117.5° |
| C20 | C17 | C16 | 122.1° | 117.5° |
| C17 | C20 | H7 | 106.9° | 120.0° |
| C20 | C17 | H18 | 114.1° | 115.5° |
| C18 | C17 | C16 | 59.4° | 60.0° |
| C17 | C18 | C16 | 60.5° | 60.0° |
| C18 | C17 | H18 | 114.5° | 117.5° |
| C17 | C18 | H19 | 119.9° | 117.5° |
| C17 | C18 | H20 | 119.9° | 117.5° |
| C17 | C16 | C18 | 60.1° | 60.1° |
| C17 | C16 | N9 | 100.6° | 117.5° |
| C17 | C16 | C19 | 127.7° | 117.5° |
| C16 | C17 | H18 | 114.4° | 117.6° |
| C7 | C1 | C2 | 113.0° | 109.9° |
| C1 | C7 | N9 | 115.3° | 120.0° |
| C1 | C7 | O8 | 120.2° | 120.0° |
| C7 | C1 | H1 | 108.6° | 109.9° |
| C1 | C2 | C3 | 105.4° | 103.0° |
| C2 | C1 | H1 | 108.7° | 109.9° |
| C1 | C2 | H2 | 110.5° | 110.7° |
| C1 | C2 | H3 | 110.5° | 110.7° |
| C18 | C16 | N9 | 105.0° | 117.5° |
| C18 | C16 | C19 | 123.3° | 117.5° |
| C16 | C18 | H19 | 119.9° | 117.5° |
| C16 | C18 | H20 | 119.9° | 117.5° |
| C13 | C12 | N11 | 117.1° | 122.0° |
| C13 | C12 | H5 | 121.5° | 119.0° |
| C12 | C13 | H6 | 119.7° | 120.6° |
| C3 | C2 | H2 | 110.5° | 110.7° |
| C3 | C2 | H3 | 110.5° | 110.9° |
| C2 | C3 | H4 | 114.0° | 111.0° |
| C7 | N9 | C16 | 118.5° | 120.0° |
| N9 | C7 | O8 | 124.5° | 120.0° |
| C7 | N9 | H17 | 120.7° | 120.0° |
| N9 | C16 | C19 | 123.1° | 115.5° |
| C16 | N9 | H17 | 120.8° | 120.0° |
| N11 | C12 | H5 | 121.5° | 119.0° |
| C16 | C19 | O22 | 118.2° | 120.0° |
| C16 | C19 | N23 | 118.7° | 120.0° |
| O22 | C19 | N23 | 123.1° | 120.0° |
| C19 | N23 | S24 | 113.8° | 120.0° |
| C19 | N23 | H10 | 123.1° | 120.0° |
| N23 | S24 | O26 | 108.4° | 104.2° |
| N23 | S24 | O25 | 113.1° | 104.3° |
| N23 | S24 | C27 | 106.9° | 104.5° |
| S24 | N23 | H10 | 123.1° | 120.0° |
| O26 | S24 | O25 | 120.3° | 121.1° |
| O26 | S24 | C27 | 103.1° | 110.5° |
| O25 | S24 | C27 | 103.6° | 110.6° |
| S24 | C27 | C28 | 118.7° | 117.5° |
| S24 | C27 | C29 | 129.5° | 117.5° |
| S24 | C27 | H11 | 110.5° | 115.6° |
| C28 | C27 | C29 | 61.0° | 60.0° |
| C27 | C28 | C29 | 58.7° | 60.0° |
| C28 | C27 | H11 | 113.8° | 117.5° |
| C27 | C28 | H21 | 120.2° | 117.4° |
| C27 | C28 | H22 | 120.2° | 117.5° |
| C27 | C29 | C28 | 60.3° | 60.0° |
| C29 | C27 | H11 | 114.2° | 117.5° |
| C27 | C29 | H23 | 119.9° | 117.5° |
| C27 | C29 | H24 | 120.0° | 117.5° |
| C29 | C28 | H21 | 120.2° | 117.5° |
| C29 | C28 | H22 | 120.2° | 117.5° |
| C28 | C29 | H23 | 120.0° | 117.5° |
| C28 | C29 | H24 | 120.0° | 117.5° |
| H2 | C2 | H3 | 109.5° | 110.6° |
| H8 | C21 | H9 | 120.0° | 120.0° |
| H15 | C4 | H16 | 109.5° | 110.3° |
| H19 | C18 | H20 | 109.5° | 115.6° |
| H21 | C28 | H22 | 109.5° | 115.6° |
| H23 | C29 | H24 | 109.4° | 115.6° |
| H26 | C38 | H27 | 109.5° | 109.5° |
| H26 | C38 | H28 | 109.5° | 109.5° |
| H27 | C38 | H28 | 109.5° | 109.4° |
| H29 | C39 | H30 | 109.5° | 109.5° |
| H29 | C39 | H31 | 109.4° | 109.4° |
| H30 | C39 | H31 | 109.5° | 109.5° |
| H32 | C40 | H33 | 109.5° | 109.4° |
| H32 | C40 | H34 | 109.4° | 109.5° |
| H33 | C40 | H34 | 109.5° | 109.5° |
| H36 | C46 | H37 | 109.5° | 109.5° |
| H36 | C46 | H38 | 109.5° | 109.5° |
| H37 | C46 | H38 | 109.5° | 109.5° |
| H39 | C47 | H40 | 109.4° | 109.5° |
| H39 | C47 | H41 | 109.5° | 109.5° |
| H40 | C47 | H41 | 109.5° | 109.5° |
| H42 | C48 | H43 | 109.4° | 109.4° |
| H42 | C48 | H44 | 109.5° | 109.5° |
| H43 | C48 | H44 | 109.5° | 109.5° |
| H45 | C50 | H46 | 109.5° | 109.4° |
| H45 | C50 | H47 | 109.5° | 109.4° |
| H46 | C50 | H47 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C47 | C45 | C48 | C46 | 119.7° | 120.0° |
| C47 | C45 | C48 | O44 | 116.7° | 120.0° |
| C47 | C45 | C46 | O44 | 115.3° | 120.0° |
| C47 | C45 | O44 | C42 | 179.4° | 180.0° |
| C47 | C45 | C46 | H36 | 180.0° | 60.0° |
| C47 | C45 | C46 | H37 | 60.0° | 60.0° |
| C47 | C45 | C46 | H38 | 60.0° | 180.0° |
| C45 | C47 | H39 | H40 | 120.0° | 120.0° |
| C45 | C47 | H39 | H41 | 120.0° | 119.9° |
| C45 | C47 | H40 | H41 | 120.0° | 120.0° |
| C47 | C45 | C48 | H42 | 180.0° | 60.0° |
| C47 | C45 | C48 | H43 | 60.0° | 60.0° |
| C47 | C45 | C48 | H44 | 60.0° | 180.0° |
| C48 | C45 | C46 | O44 | 123.0° | 120.0° |
| C48 | C45 | O44 | C42 | 60.9° | 60.0° |
| C48 | C45 | C46 | H36 | 58.3° | 180.0° |
| C48 | C45 | C46 | H37 | 178.3° | 60.0° |
| C48 | C45 | C46 | H38 | 61.7° | 60.0° |
| C48 | C45 | C47 | H39 | 180.0° | 180.0° |
| C48 | C45 | C47 | H40 | 60.0° | 60.0° |
| C48 | C45 | C47 | H41 | 60.0° | 60.0° |
| C45 | C48 | H42 | H43 | 120.0° | 119.9° |
| C45 | C48 | H42 | H44 | 120.0° | 120.0° |
| C45 | C48 | H43 | H44 | 120.0° | 120.0° |
| C46 | C45 | O44 | C42 | 63.3° | 60.0° |
| C45 | C46 | H36 | H37 | 120.0° | 120.0° |
| C45 | C46 | H36 | H38 | 120.0° | 119.9° |
| C45 | C46 | H37 | H38 | 120.0° | 120.0° |
| C46 | C45 | C47 | H39 | 57.6° | 60.0° |
| C46 | C45 | C47 | H40 | 177.6° | 180.0° |
| C46 | C45 | C47 | H41 | 62.4° | 60.0° |
| C46 | C45 | C48 | H42 | 60.3° | 60.0° |
| C46 | C45 | C48 | H43 | 59.7° | 180.0° |
| C46 | C45 | C48 | H44 | 179.7° | 60.0° |
| C45 | O44 | C42 | O43 | 3.4° | 0.0° |
| C45 | O44 | C42 | N41 | 175.7° | 180.0° |
| O44 | C45 | C46 | H36 | 64.7° | 60.0° |
| O44 | C45 | C46 | H37 | 55.3° | 179.9° |
| O44 | C45 | C46 | H38 | 175.3° | 60.0° |
| O44 | C45 | C47 | H39 | 60.9° | 60.0° |
| O44 | C45 | C47 | H40 | 59.1° | 60.0° |
| O44 | C45 | C47 | H41 | 179.1° | 180.0° |
| O44 | C45 | C48 | H42 | 63.3° | 180.0° |
| O44 | C45 | C48 | H43 | 176.7° | 60.1° |
| O44 | C45 | C48 | H44 | 56.7° | 60.0° |
| O44 | C42 | O43 | N41 | 179.0° | 180.0° |
| O44 | C42 | N41 | C36 | 174.5° | 180.0° |
| O44 | C42 | N41 | H35 | 5.4° | 0.0° |
| O43 | C42 | N41 | C36 | 4.6° | 0.0° |
| O43 | C42 | N41 | H35 | 175.5° | 179.9° |
| C42 | N41 | C36 | H35 | 180.0° | 180.0° |
| C42 | N41 | C36 | C37 | 141.4° | 85.0° |
| C42 | N41 | C36 | C34 | 95.8° | 155.0° |
| C42 | N41 | C36 | H25 | 23.2° | 35.0° |
| C50 | O49 | C31 | C32 | 175.1° | 0.2° |
| C50 | O49 | C31 | C30 | 5.4° | 179.9° |
| O49 | C50 | H45 | H46 | 120.0° | 120.0° |
| O49 | C50 | H45 | H47 | 120.0° | 120.0° |
| O49 | C50 | H46 | H47 | 120.0° | 120.1° |
| O49 | C31 | C32 | C30 | 179.4° | 179.9° |
| O49 | C31 | C32 | C33 | 179.3° | 180.0° |
| O49 | C31 | C30 | C14 | 179.0° | 180.0° |
| O49 | C31 | C30 | H12 | 1.0° | 0.0° |
| O49 | C31 | C32 | H13 | 0.7° | 0.1° |
| C31 | O49 | C50 | H45 | 180.0° | 60.0° |
| C31 | O49 | C50 | H46 | 60.0° | 59.9° |
| C31 | O49 | C50 | H47 | 60.0° | 180.0° |
| N41 | C36 | C37 | C40 | 64.1° | 59.6° |
| N41 | C36 | C37 | C38 | 53.2° | 60.3° |
| N41 | C36 | C37 | C34 | 121.2° | 120.0° |
| N41 | C36 | C37 | H25 | 119.0° | 120.0° |
| N41 | C36 | C34 | H25 | 119.7° | 120.0° |
| N41 | C36 | C37 | C39 | 176.0° | 179.7° |
| N41 | C36 | C34 | O35 | 48.6° | 38.6° |
| N41 | C36 | C34 | N5 | 130.7° | 141.3° |
| C40 | C37 | C38 | C36 | 117.7° | 120.0° |
| C40 | C37 | C38 | C39 | 121.4° | 120.0° |
| C40 | C37 | C36 | C39 | 119.9° | 120.0° |
| C40 | C37 | C36 | C34 | 174.6° | 179.6° |
| C40 | C37 | C36 | H25 | 54.9° | 60.4° |
| C40 | C37 | C38 | H26 | 180.0° | 180.0° |
| C40 | C37 | C38 | H27 | 60.0° | 60.0° |
| C40 | C37 | C38 | H28 | 60.0° | 60.0° |
| C40 | C37 | C39 | H29 | 180.0° | 55.2° |
| C40 | C37 | C39 | H30 | 60.0° | 64.8° |
| C40 | C37 | C39 | H31 | 60.0° | 175.2° |
| C37 | C40 | H32 | H33 | 120.0° | 120.0° |
| C37 | C40 | H32 | H34 | 120.0° | 120.0° |
| C37 | C40 | H33 | H34 | 120.0° | 120.0° |
| C31 | C32 | C33 | H13 | 180.0° | 179.9° |
| C31 | C32 | C33 | C15 | 0.3° | 0.1° |
| C32 | C31 | C30 | C14 | 0.4° | 0.0° |
| C32 | C31 | C30 | H12 | 179.6° | 179.9° |
| C31 | C32 | C33 | H14 | 179.6° | 180.0° |
| C33 | C32 | C31 | C30 | 0.2° | 0.1° |
| C32 | C33 | C15 | H14 | 180.0° | 179.9° |
| C32 | C33 | C15 | C14 | 0.6° | 0.1° |
| C32 | C33 | C15 | C10 | 179.0° | 180.0° |
| C38 | C37 | C36 | C39 | 122.8° | 120.0° |
| C38 | C37 | C36 | C34 | 68.0° | 59.6° |
| C38 | C37 | C36 | H25 | 172.2° | 179.7° |
| C37 | C38 | H26 | H27 | 120.0° | 120.0° |
| C37 | C38 | H26 | H28 | 120.0° | 120.0° |
| C37 | C38 | H27 | H28 | 120.0° | 120.0° |
| C38 | C37 | C39 | H29 | 60.6° | 175.2° |
| C38 | C37 | C39 | H30 | 179.3° | 55.2° |
| C38 | C37 | C39 | H31 | 59.4° | 64.8° |
| C38 | C37 | C40 | H32 | 180.0° | 60.0° |
| C38 | C37 | C40 | H33 | 60.0° | 60.0° |
| C38 | C37 | C40 | H34 | 60.0° | 180.0° |
| C31 | C30 | C14 | H12 | 180.0° | 179.9° |
| C31 | C30 | C14 | C15 | 0.1° | 0.0° |
| C31 | C30 | C14 | C13 | 179.1° | 180.0° |
| C30 | C31 | C32 | H13 | 179.8° | 180.0° |
| C37 | C36 | C34 | H25 | 119.6° | 120.0° |
| C37 | C36 | C34 | O35 | 72.1° | 81.4° |
| C37 | C36 | C34 | N5 | 108.6° | 98.7° |
| C36 | C37 | C38 | H26 | 62.3° | 60.0° |
| C36 | C37 | C38 | H27 | 177.7° | 180.0° |
| C36 | C37 | C38 | H28 | 57.7° | 60.0° |
| C36 | C37 | C39 | H29 | 62.0° | 64.8° |
| C36 | C37 | C39 | H30 | 58.1° | 175.2° |
| C36 | C37 | C39 | H31 | 178.0° | 55.2° |
| C36 | C37 | C40 | H32 | 60.2° | 60.0° |
| C36 | C37 | C40 | H33 | 59.8° | 180.0° |
| C36 | C37 | C40 | H34 | 179.8° | 60.0° |
| C37 | C36 | N41 | H35 | 38.6° | 95.0° |
| C34 | C36 | C37 | C39 | 54.8° | 60.3° |
| C36 | C34 | O35 | N5 | 179.3° | 179.9° |
| C36 | C34 | N5 | C4 | 0.8° | 4.5° |
| C36 | C34 | N5 | C1 | 176.8° | 175.5° |
| C34 | C36 | N41 | H35 | 84.1° | 25.0° |
| C39 | C37 | C36 | H25 | 65.0° | 59.7° |
| C39 | C37 | C38 | H26 | 58.6° | 60.0° |
| C39 | C37 | C38 | H27 | 61.4° | 60.0° |
| C39 | C37 | C38 | H28 | 178.6° | 180.0° |
| C37 | C39 | H29 | H30 | 120.0° | 120.0° |
| C37 | C39 | H29 | H31 | 120.0° | 120.0° |
| C37 | C39 | H30 | H31 | 120.0° | 120.0° |
| C39 | C37 | C40 | H32 | 58.1° | 180.0° |
| C39 | C37 | C40 | H33 | 178.1° | 60.0° |
| C39 | C37 | C40 | H34 | 61.9° | 60.0° |
| C33 | C15 | C14 | C30 | 0.4° | 0.0° |
| C33 | C15 | C14 | C10 | 179.6° | 180.0° |
| C33 | C15 | C14 | C13 | 179.7° | 180.0° |
| C33 | C15 | C10 | O6 | 4.6° | 0.3° |
| C33 | C15 | C10 | N11 | 179.2° | 180.0° |
| C15 | C33 | C32 | H13 | 179.7° | 180.0° |
| O35 | C34 | N5 | C4 | 179.9° | 175.6° |
| O35 | C34 | N5 | C1 | 2.5° | 4.4° |
| O35 | C34 | C36 | H25 | 168.3° | 158.6° |
| C30 | C14 | C15 | C13 | 179.3° | 180.0° |
| C30 | C14 | C15 | C10 | 179.2° | 180.0° |
| C30 | C14 | C13 | C12 | 180.0° | 180.0° |
| C30 | C14 | C13 | H6 | 0.0° | 0.0° |
| C34 | N5 | C4 | C1 | 177.7° | 180.0° |
| C34 | N5 | C4 | C3 | 150.9° | 155.8° |
| C34 | N5 | C1 | C7 | 56.9° | 59.4° |
| C34 | N5 | C1 | C2 | 179.2° | 178.9° |
| C34 | N5 | C1 | H1 | 66.4° | 61.6° |
| C34 | N5 | C4 | H15 | 32.2° | 37.0° |
| C34 | N5 | C4 | H16 | 90.4° | 85.3° |
| N5 | C34 | C36 | H25 | 11.0° | 21.3° |
| C14 | C15 | C10 | O6 | 175.0° | 179.8° |
| C14 | C15 | C10 | N11 | 1.2° | 0.0° |
| C15 | C14 | C13 | C12 | 0.8° | 0.0° |
| C15 | C14 | C13 | H6 | 179.2° | 179.9° |
| C15 | C14 | C30 | H12 | 179.9° | 179.9° |
| C14 | C15 | C33 | H14 | 179.4° | 180.0° |
| C10 | C15 | C14 | C13 | 0.0° | 0.0° |
| C15 | C10 | O6 | N11 | 176.2° | 179.8° |
| C15 | C10 | O6 | C3 | 176.7° | 179.7° |
| C15 | C10 | N11 | C12 | 1.6° | 0.1° |
| C10 | C15 | C33 | H14 | 1.0° | 0.0° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C14 | C13 | C12 | N11 | 0.6° | 0.0° |
| C14 | C13 | C12 | H5 | 179.4° | 180.0° |
| C13 | C14 | C30 | H12 | 0.9° | 0.0° |
| N5 | C4 | C3 | O6 | 68.2° | 155.1° |
| N5 | C4 | C3 | H15 | 118.6° | 118.8° |
| N5 | C4 | C3 | H16 | 118.6° | 119.0° |
| C4 | N5 | C1 | C7 | 125.0° | 120.5° |
| C4 | N5 | C1 | C2 | 2.7° | 1.1° |
| N5 | C4 | C3 | C2 | 43.5° | 37.1° |
| C4 | N5 | C1 | H1 | 111.7° | 118.4° |
| N5 | C4 | C3 | H4 | 163.9° | 81.0° |
| N5 | C4 | H15 | H16 | 123.8° | 122.4° |
| C1 | N5 | C4 | C3 | 26.8° | 24.2° |
| N5 | C1 | C7 | C2 | 115.6° | 117.8° |
| N5 | C1 | C7 | H1 | 123.7° | 121.1° |
| N5 | C1 | C2 | H1 | 114.8° | 119.6° |
| N5 | C1 | C2 | C3 | 31.9° | 22.2° |
| N5 | C1 | C7 | N9 | 134.2° | 179.3° |
| N5 | C1 | C7 | O8 | 45.7° | 0.7° |
| N5 | C1 | C2 | H2 | 87.5° | 140.5° |
| N5 | C1 | C2 | H3 | 151.2° | 96.4° |
| C1 | N5 | C4 | H15 | 145.5° | 143.0° |
| C1 | N5 | C4 | H16 | 91.8° | 94.7° |
| C10 | O6 | C3 | C4 | 160.0° | 97.8° |
| C10 | O6 | C3 | C2 | 96.8° | 150.0° |
| O6 | C10 | N11 | C12 | 174.5° | 179.7° |
| C10 | O6 | C3 | H4 | 33.5° | 26.1° |
| O6 | C3 | C4 | C2 | 111.7° | 118.1° |
| O6 | C3 | C4 | H4 | 127.9° | 123.9° |
| C3 | O6 | C10 | N11 | 0.5° | 0.0° |
| O6 | C3 | C2 | C1 | 60.4° | 153.6° |
| O6 | C3 | C2 | H4 | 131.5° | 123.8° |
| O6 | C3 | C2 | H2 | 179.7° | 88.0° |
| O6 | C3 | C2 | H3 | 59.0° | 35.2° |
| O6 | C3 | C4 | H15 | 50.5° | 86.1° |
| O6 | C3 | C4 | H16 | 173.2° | 36.1° |
| C21 | C20 | C17 | H7 | 180.0° | 179.9° |
| C21 | C20 | C17 | C18 | 149.5° | 171.4° |
| C21 | C20 | C17 | C16 | 139.1° | 120.0° |
| C20 | C21 | H8 | H9 | 180.0° | 180.0° |
| C21 | C20 | C17 | H18 | 5.5° | 25.8° |
| C4 | C3 | C2 | C1 | 47.8° | 35.5° |
| C4 | C3 | C2 | H4 | 120.3° | 118.1° |
| C4 | C3 | C2 | H2 | 71.6° | 153.9° |
| C4 | C3 | C2 | H3 | 167.2° | 82.9° |
| C3 | C4 | H15 | H16 | 123.9° | 122.2° |
| C10 | N11 | C12 | C13 | 0.6° | 0.1° |
| C10 | N11 | C12 | H5 | 179.4° | 180.0° |
| C20 | C17 | C18 | C16 | 111.2° | 107.5° |
| C20 | C17 | C18 | H18 | 143.9° | 144.9° |
| C20 | C17 | C16 | H18 | 144.5° | 145.1° |
| C20 | C17 | C16 | N9 | 148.2° | 145.0° |
| C20 | C17 | C16 | C19 | 0.4° | 0.1° |
| C17 | C20 | C21 | H8 | 180.0° | 180.0° |
| C17 | C20 | C21 | H9 | 0.0° | 0.1° |
| C20 | C17 | C18 | H19 | 1.6° | 145.0° |
| C20 | C17 | C18 | H20 | 139.2° | 0.0° |
| C18 | C17 | C16 | H18 | 105.1° | 107.5° |
| C17 | C18 | C16 | H19 | 109.6° | 107.4° |
| C17 | C18 | C16 | H20 | 109.6° | 107.5° |
| C17 | C18 | C16 | N9 | 93.7° | 107.5° |
| C18 | C17 | C16 | C19 | 110.8° | 107.5° |
| C18 | C17 | C20 | H7 | 30.5° | 8.7° |
| C17 | C18 | H19 | H20 | 144.5° | 145.7° |
| C17 | C16 | N9 | C7 | 78.1° | 149.0° |
| C17 | C16 | N9 | C19 | 149.8° | 145.7° |
| C17 | C16 | C19 | O22 | 40.7° | 69.8° |
| C17 | C16 | C19 | N23 | 139.6° | 110.2° |
| C16 | C17 | C20 | H7 | 40.9° | 59.9° |
| C17 | C16 | N9 | H17 | 102.0° | 31.0° |
| C7 | C1 | C2 | H1 | 120.7° | 121.1° |
| C7 | C1 | C2 | C3 | 156.4° | 97.2° |
| C1 | C7 | N9 | O8 | 179.9° | 180.0° |
| C1 | C7 | N9 | C16 | 172.5° | 174.9° |
| C7 | C1 | C2 | H2 | 37.0° | 21.1° |
| C7 | C1 | C2 | H3 | 84.3° | 144.2° |
| C1 | C7 | N9 | H17 | 7.5° | 5.0° |
| C1 | C2 | C3 | H2 | 119.4° | 118.4° |
| C1 | C2 | C3 | H3 | 119.4° | 118.5° |
| C2 | C1 | C7 | N9 | 110.2° | 61.4° |
| C2 | C1 | C7 | O8 | 69.9° | 118.5° |
| C1 | C2 | H2 | H3 | 121.9° | 123.2° |
| C1 | C2 | C3 | H4 | 168.1° | 82.5° |
| C18 | C16 | N9 | C7 | 139.7° | 80.3° |
| C18 | C16 | N9 | C19 | 148.6° | 145.6° |
| C18 | C16 | C19 | O22 | 35.0° | 1.1° |
| C18 | C16 | C19 | N23 | 144.7° | 178.9° |
| C18 | C16 | N9 | H17 | 40.3° | 99.7° |
| C16 | C18 | H19 | H20 | 144.4° | 145.8° |
| C13 | C12 | N11 | H5 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 82.9° | 141.7° |
| C3 | C2 | H2 | H3 | 121.9° | 123.3° |
| C2 | C3 | C4 | H15 | 162.1° | 155.8° |
| C2 | C3 | C4 | H16 | 75.2° | 82.0° |
| C7 | N9 | C16 | H17 | 180.0° | 180.0° |
| C7 | N9 | C16 | C19 | 71.7° | 65.3° |
| N9 | C7 | C1 | H1 | 10.5° | 59.6° |
| C16 | N9 | C7 | O8 | 7.4° | 5.0° |
| N9 | C16 | C19 | O22 | 178.0° | 144.6° |
| N9 | C16 | C19 | N23 | 1.7° | 35.5° |
| N9 | C16 | C17 | H18 | 3.7° | 0.1° |
| N9 | C16 | C18 | H19 | 156.7° | 0.1° |
| N9 | C16 | C18 | H20 | 15.9° | 145.0° |
| O8 | C7 | C1 | H1 | 169.4° | 120.4° |
| O8 | C7 | N9 | H17 | 172.6° | 175.0° |
| N11 | C12 | C13 | H6 | 179.4° | 180.0° |
| C16 | C19 | O22 | N23 | 179.7° | 180.0° |
| C16 | C19 | N23 | S24 | 178.9° | 175.0° |
| C16 | C19 | N23 | H10 | 1.1° | 5.1° |
| C19 | C16 | N9 | H17 | 108.3° | 114.7° |
| C19 | C16 | C17 | H18 | 144.1° | 145.0° |
| C19 | C16 | C18 | H19 | 8.1° | 145.0° |
| C19 | C16 | C18 | H20 | 132.7° | 0.1° |
| O22 | C19 | N23 | S24 | 0.7° | 4.9° |
| O22 | C19 | N23 | H10 | 179.3° | 175.0° |
| C19 | N23 | S24 | H10 | 180.0° | 179.9° |
| C19 | N23 | S24 | O26 | 72.1° | 51.1° |
| C19 | N23 | S24 | O25 | 63.9° | 179.0° |
| C19 | N23 | S24 | C27 | 177.4° | 64.9° |
| N23 | S24 | O26 | O25 | 132.3° | 116.8° |
| N23 | S24 | O26 | C27 | 113.1° | 111.7° |
| N23 | S24 | O25 | C27 | 115.4° | 111.8° |
| N23 | S24 | C27 | C28 | 88.7° | 180.0° |
| N23 | S24 | C27 | C29 | 163.3° | 111.4° |
| N23 | S24 | C27 | H11 | 45.4° | 34.3° |
| O26 | S24 | O25 | C27 | 114.3° | 131.5° |
| O26 | S24 | C27 | C28 | 157.1° | 68.4° |
| O26 | S24 | C27 | C29 | 82.5° | 137.1° |
| O26 | S24 | N23 | H10 | 107.9° | 129.0° |
| O26 | S24 | C27 | H11 | 68.7° | 77.3° |
| O25 | S24 | C27 | C28 | 31.0° | 68.3° |
| O25 | S24 | C27 | C29 | 43.6° | 0.3° |
| O25 | S24 | N23 | H10 | 116.0° | 1.1° |
| O25 | S24 | C27 | H11 | 165.1° | 145.9° |
| S24 | C27 | C28 | C29 | 121.8° | 107.5° |
| S24 | C27 | C28 | H11 | 132.7° | 145.1° |
| S24 | C27 | C29 | H11 | 150.4° | 145.0° |
| C27 | S24 | N23 | H10 | 2.6° | 115.0° |
| S24 | C27 | C28 | H21 | 12.6° | 0.1° |
| S24 | C27 | C28 | H22 | 129.2° | 145.0° |
| S24 | C27 | C29 | H23 | 145.7° | 145.0° |
| S24 | C27 | C29 | H24 | 4.9° | 0.0° |
| C28 | C27 | C29 | H11 | 104.9° | 107.5° |
| C27 | C28 | C29 | H21 | 109.1° | 107.4° |
| C27 | C28 | C29 | H22 | 109.1° | 107.5° |
| C27 | C28 | H21 | H22 | 145.4° | 145.6° |
| C28 | C27 | C29 | H23 | 109.6° | 107.5° |
| C28 | C27 | C29 | H24 | 109.6° | 107.5° |
| C27 | C29 | H23 | H24 | 144.6° | 145.7° |
| C29 | C28 | H21 | H22 | 145.4° | 145.7° |
| C28 | C29 | H23 | H24 | 144.5° | 145.7° |
| H1 | C1 | C2 | H2 | 157.7° | 99.9° |
| H1 | C1 | C2 | H3 | 36.4° | 23.2° |
| H2 | C2 | C3 | H4 | 48.8° | 35.8° |
| H3 | C2 | C3 | H4 | 72.5° | 159.0° |
| H4 | C3 | C4 | H15 | 77.5° | 37.8° |
| H4 | C3 | C4 | H16 | 45.2° | 160.0° |
| H5 | C12 | C13 | H6 | 0.6° | 0.1° |
| H7 | C20 | C21 | H8 | 0.0° | 0.0° |
| H7 | C20 | C21 | H9 | 180.0° | 180.0° |
| H7 | C20 | C17 | H18 | 174.6° | 154.3° |
| H11 | C27 | C28 | H21 | 145.3° | 145.0° |
| H11 | C27 | C28 | H22 | 3.5° | 0.1° |
| H11 | C27 | C29 | H23 | 4.7° | 0.0° |
| H11 | C27 | C29 | H24 | 145.6° | 145.0° |
| H13 | C32 | C33 | H14 | 0.3° | 0.1° |
| H18 | C17 | C18 | H19 | 145.5° | 0.1° |
| H18 | C17 | C18 | H20 | 4.7° | 144.9° |
| H21 | C28 | C29 | H23 | 141.3° | 145.1° |
| H21 | C28 | C29 | H24 | 0.5° | 0.0° |
| H22 | C28 | C29 | H23 | 0.4° | 0.0° |
| H22 | C28 | C29 | H24 | 141.3° | 145.1° |
| H25 | C36 | N41 | H35 | 156.8° | 145.0° |
| H26 | C38 | H27 | H28 | 120.0° | 120.0° |
| H29 | C39 | H30 | H31 | 120.0° | 120.0° |
| H32 | C40 | H33 | H34 | 120.0° | 120.0° |
| H36 | C46 | H37 | H38 | 120.0° | 120.0° |
| H39 | C47 | H40 | H41 | 120.0° | 120.0° |
| H42 | C48 | H43 | H44 | 120.0° | 120.1° |
| H45 | C50 | H46 | H47 | 120.0° | 119.9° |
