A1IYO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N51 | C52 | doub | 1.29Å | 1.29Å | Aromatic |
| N51 | C50 | sing | 1.31Å | 1.38Å | Aromatic |
| C52 | S53 | sing | 1.71Å | 1.72Å | Aromatic |
| C49 | C50 | sing | 1.51Å | 1.49Å | |
| C50 | C54 | doub | 1.35Å | 1.38Å | Aromatic |
| S53 | C54 | sing | 1.76Å | 1.73Å | Aromatic |
| C54 | C48 | sing | 1.48Å | 1.48Å | |
| C48 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| C48 | C47 | sing | 1.40Å | 1.39Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C55 | C56 | sing | 1.53Å | 1.48Å | |
| C55 | O18 | sing | 1.43Å | 1.44Å | |
| C56 | O59 | sing | 1.43Å | 1.42Å | |
| C47 | C46 | doub | 1.38Å | 1.38Å | Aromatic |
| C44 | O18 | sing | 1.36Å | 1.38Å | |
| C44 | C45 | doub | 1.39Å | 1.40Å | Aromatic |
| O59 | C60 | sing | 1.43Å | 1.42Å | |
| C46 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C42 | sing | 1.51Å | 1.51Å | |
| C60 | C61 | sing | 1.53Å | 1.51Å | |
| C61 | N62 | sing | 1.47Å | 1.51Å | |
| C42 | N41 | sing | 1.47Å | 1.46Å | |
| N62 | C58 | sing | 1.47Å | 1.50Å | |
| N62 | C63 | sing | 1.47Å | 1.50Å | |
| C58 | C57 | sing | 1.53Å | 1.51Å | |
| N41 | C40 | sing | 1.35Å | 1.33Å | |
| O38 | C40 | doub | 1.21Å | 1.23Å | |
| C40 | C39 | sing | 1.51Å | 1.53Å | |
| C57 | N65 | sing | 1.47Å | 1.46Å | |
| C63 | C64 | sing | 1.53Å | 1.52Å | |
| C37 | C39 | sing | 1.54Å | 1.54Å | |
| C37 | C36 | sing | 1.55Å | 1.53Å | |
| C39 | N34 | sing | 1.47Å | 1.47Å | |
| C64 | N65 | sing | 1.47Å | 1.47Å | |
| N65 | C17 | sing | 1.47Å | 1.46Å | |
| C36 | C35 | sing | 1.55Å | 1.52Å | |
| C36 | O32 | sing | 1.43Å | 1.43Å | |
| N34 | C35 | sing | 1.47Å | 1.47Å | |
| N34 | C33 | sing | 1.35Å | 1.35Å | |
| C17 | C12 | sing | 1.51Å | 1.50Å | |
| O31 | C33 | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | doub | 1.33Å | 1.36Å | |
| C11 | N7 | sing | 1.38Å | 1.38Å | |
| C33 | C30 | sing | 1.51Å | 1.54Å | |
| C12 | N13 | sing | 1.38Å | 1.39Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| N7 | C5 | sing | 1.39Å | 1.41Å | |
| N7 | C8 | sing | 1.36Å | 1.36Å | |
| C19 | C22 | sing | 1.53Å | 1.53Å | |
| N13 | C8 | sing | 1.37Å | 1.37Å | |
| N13 | C16 | sing | 1.47Å | 1.46Å | |
| C5 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C22 | C30 | sing | 1.53Å | 1.56Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C30 | N29 | sing | 1.46Å | 1.46Å | |
| C8 | N9 | doub | 1.33Å | 1.30Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C10 | sing | 1.47Å | 1.48Å | |
| C1 | BR15 | sing | 1.89Å | 1.90Å | |
| N9 | C10 | sing | 1.33Å | 1.39Å | |
| C10 | O14 | doub | 1.22Å | 1.22Å | |
| N29 | C28 | sing | 1.35Å | 1.34Å | |
| C28 | O26 | doub | 1.21Å | 1.22Å | |
| C28 | C27 | sing | 1.51Å | 1.54Å | |
| F25 | C27 | sing | 1.40Å | 1.41Å | |
| C27 | C24 | sing | 1.53Å | 1.48Å | |
| C27 | C23 | sing | 1.53Å | 1.48Å | |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C4 | H68 | sing | 1.08Å | 1.08Å | |
| C17 | H74 | sing | 1.09Å | 1.10Å | |
| C17 | H73 | sing | 1.09Å | 1.10Å | |
| C20 | H79 | sing | 1.09Å | 1.10Å | |
| C20 | H80 | sing | 1.09Å | 1.10Å | |
| C20 | H78 | sing | 1.09Å | 1.10Å | |
| C21 | H82 | sing | 1.09Å | 1.10Å | |
| C21 | H83 | sing | 1.09Å | 1.10Å | |
| C21 | H81 | sing | 1.09Å | 1.10Å | |
| C24 | H87 | sing | 1.09Å | 1.10Å | |
| C24 | H86 | sing | 1.09Å | 1.10Å | |
| C2 | H66 | sing | 1.08Å | 1.08Å | |
| C3 | H67 | sing | 1.08Å | 1.08Å | |
| C11 | H69 | sing | 1.08Å | 1.08Å | |
| C16 | H70 | sing | 1.09Å | 1.10Å | |
| C16 | H71 | sing | 1.09Å | 1.10Å | |
| C16 | H72 | sing | 1.09Å | 1.10Å | |
| C19 | H75 | sing | 1.09Å | 1.10Å | |
| C19 | H76 | sing | 1.09Å | 1.10Å | |
| C19 | H77 | sing | 1.09Å | 1.10Å | |
| C23 | H85 | sing | 1.09Å | 1.10Å | |
| C23 | H84 | sing | 1.09Å | 1.10Å | |
| N29 | H88 | sing | 0.97Å | 1.00Å | |
| C30 | H89 | sing | 1.09Å | 1.10Å | |
| O32 | H90 | sing | 0.97Å | 0.95Å | |
| C35 | H92 | sing | 1.09Å | 1.10Å | |
| C35 | H91 | sing | 1.09Å | 1.10Å | |
| C36 | H93 | sing | 1.09Å | 1.10Å | |
| C37 | H95 | sing | 1.09Å | 1.10Å | |
| C37 | H94 | sing | 1.09Å | 1.10Å | |
| C39 | H96 | sing | 1.09Å | 1.10Å | |
| N41 | H97 | sing | 0.97Å | 1.00Å | |
| C42 | H99 | sing | 1.09Å | 1.10Å | |
| C42 | H98 | sing | 1.09Å | 1.10Å | |
| C43 | H100 | sing | 1.08Å | 1.08Å | |
| C46 | H101 | sing | 1.08Å | 1.08Å | |
| C47 | H102 | sing | 1.08Å | 1.08Å | |
| C49 | H105 | sing | 1.09Å | 1.10Å | |
| C49 | H103 | sing | 1.09Å | 1.10Å | |
| C49 | H104 | sing | 1.09Å | 1.10Å | |
| C52 | H106 | sing | 1.08Å | 1.08Å | |
| C55 | H108 | sing | 1.09Å | 1.10Å | |
| C55 | H107 | sing | 1.09Å | 1.10Å | |
| C56 | H109 | sing | 1.09Å | 1.10Å | |
| C56 | H110 | sing | 1.09Å | 1.10Å | |
| C57 | H111 | sing | 1.09Å | 1.10Å | |
| C57 | H112 | sing | 1.09Å | 1.10Å | |
| C58 | H114 | sing | 1.09Å | 1.10Å | |
| C58 | H113 | sing | 1.09Å | 1.10Å | |
| C60 | H115 | sing | 1.09Å | 1.10Å | |
| C60 | H116 | sing | 1.09Å | 1.10Å | |
| C61 | H117 | sing | 1.09Å | 1.10Å | |
| C61 | H118 | sing | 1.09Å | 1.10Å | |
| C63 | H120 | sing | 1.09Å | 1.10Å | |
| C63 | H121 | sing | 1.09Å | 1.10Å | |
| C64 | H122 | sing | 1.09Å | 1.10Å | |
| C64 | H123 | sing | 1.09Å | 1.10Å | |
| N62 | H119 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C52 | N51 | C50 | 110.5° | 117.3° |
| N51 | C52 | S53 | 116.0° | 110.4° |
| N51 | C52 | H106 | 122.0° | 124.8° |
| N51 | C50 | C49 | 118.1° | 122.9° |
| N51 | C50 | C54 | 114.8° | 114.2° |
| C52 | S53 | C54 | 88.9° | 90.3° |
| S53 | C52 | H106 | 122.0° | 124.8° |
| C49 | C50 | C54 | 127.1° | 122.9° |
| C50 | C49 | H105 | 109.5° | 109.5° |
| C50 | C49 | H103 | 109.5° | 109.5° |
| C50 | C49 | H104 | 109.5° | 109.5° |
| C50 | C54 | S53 | 109.7° | 107.8° |
| C50 | C54 | C48 | 131.0° | 126.1° |
| S53 | C54 | C48 | 119.3° | 126.1° |
| C54 | C48 | C43 | 120.1° | 120.1° |
| C54 | C48 | C47 | 120.8° | 120.1° |
| C43 | C48 | C47 | 119.1° | 119.7° |
| C48 | C43 | C44 | 120.2° | 119.8° |
| C48 | C43 | H100 | 119.9° | 120.1° |
| C48 | C47 | C46 | 120.3° | 120.0° |
| C48 | C47 | H102 | 119.8° | 120.0° |
| C43 | C44 | O18 | 123.0° | 120.0° |
| C43 | C44 | C45 | 121.1° | 120.0° |
| C44 | C43 | H100 | 119.9° | 120.1° |
| C56 | C55 | O18 | 107.6° | 109.5° |
| C55 | C56 | O59 | 108.4° | 109.5° |
| C56 | C55 | H108 | 109.9° | 109.5° |
| C56 | C55 | H107 | 109.9° | 109.5° |
| C55 | C56 | H109 | 109.8° | 109.5° |
| C55 | C56 | H110 | 109.7° | 109.5° |
| C55 | O18 | C44 | 119.2° | 117.0° |
| O18 | C55 | H108 | 109.9° | 109.5° |
| O18 | C55 | H107 | 109.9° | 109.4° |
| C56 | O59 | C60 | 113.6° | 114.0° |
| O59 | C56 | H109 | 109.7° | 109.5° |
| O59 | C56 | H110 | 109.8° | 109.5° |
| C47 | C46 | C45 | 121.4° | 120.2° |
| C47 | C46 | H101 | 119.3° | 119.9° |
| C46 | C47 | H102 | 119.8° | 120.0° |
| O18 | C44 | C45 | 115.9° | 120.0° |
| C44 | C45 | C46 | 117.8° | 120.2° |
| C44 | C45 | C42 | 120.5° | 119.9° |
| O59 | C60 | C61 | 108.8° | 109.4° |
| O59 | C60 | H115 | 109.6° | 109.5° |
| O59 | C60 | H116 | 109.6° | 109.5° |
| C46 | C45 | C42 | 121.7° | 119.9° |
| C45 | C46 | H101 | 119.3° | 119.9° |
| C45 | C42 | N41 | 113.9° | 109.5° |
| C45 | C42 | H99 | 108.4° | 109.5° |
| C45 | C42 | H98 | 108.4° | 109.5° |
| C60 | C61 | N62 | 116.9° | 109.5° |
| C61 | C60 | H115 | 109.6° | 109.5° |
| C61 | C60 | H116 | 109.6° | 109.5° |
| C60 | C61 | H117 | 107.6° | 109.4° |
| C60 | C61 | H118 | 107.6° | 109.5° |
| C61 | N62 | C58 | 114.3° | 109.4° |
| C61 | N62 | C63 | 112.9° | 109.5° |
| N62 | C61 | H117 | 107.5° | 109.5° |
| N62 | C61 | H118 | 107.6° | 109.5° |
| C61 | N62 | H119 | 106.2° | 109.5° |
| C42 | N41 | C40 | 123.1° | 120.0° |
| C42 | N41 | H97 | 118.5° | 120.0° |
| N41 | C42 | H99 | 108.4° | 109.5° |
| N41 | C42 | H98 | 108.4° | 109.5° |
| C58 | N62 | C63 | 110.2° | 109.5° |
| N62 | C58 | C57 | 109.3° | 109.5° |
| N62 | C58 | H114 | 109.5° | 109.5° |
| N62 | C58 | H113 | 109.5° | 109.5° |
| C58 | N62 | H119 | 106.4° | 109.5° |
| N62 | C63 | C64 | 108.4° | 109.5° |
| N62 | C63 | H120 | 109.8° | 109.4° |
| N62 | C63 | H121 | 109.8° | 109.5° |
| C63 | N62 | H119 | 106.4° | 109.4° |
| C58 | C57 | N65 | 110.7° | 109.3° |
| C58 | C57 | H111 | 109.1° | 109.5° |
| C58 | C57 | H112 | 109.2° | 109.6° |
| C57 | C58 | H114 | 109.5° | 109.4° |
| C57 | C58 | H113 | 109.5° | 109.5° |
| N41 | C40 | O38 | 123.5° | 120.0° |
| N41 | C40 | C39 | 115.8° | 120.0° |
| C40 | N41 | H97 | 118.4° | 120.1° |
| O38 | C40 | C39 | 120.7° | 120.0° |
| C40 | C39 | C37 | 109.7° | 109.8° |
| C40 | C39 | N34 | 115.4° | 110.2° |
| C40 | C39 | H96 | 108.9° | 110.1° |
| C57 | N65 | C64 | 108.7° | 110.8° |
| C57 | N65 | C17 | 110.5° | 111.0° |
| N65 | C57 | H111 | 109.1° | 109.5° |
| N65 | C57 | H112 | 109.1° | 109.4° |
| C63 | C64 | N65 | 110.8° | 109.3° |
| C64 | C63 | H120 | 109.7° | 109.5° |
| C64 | C63 | H121 | 109.7° | 109.5° |
| C63 | C64 | H122 | 109.1° | 109.5° |
| C63 | C64 | H123 | 109.2° | 109.5° |
| C39 | C37 | C36 | 104.8° | 103.0° |
| C37 | C39 | N34 | 104.1° | 107.2° |
| C39 | C37 | H95 | 110.6° | 110.7° |
| C39 | C37 | H94 | 110.6° | 110.7° |
| C37 | C39 | H96 | 108.8° | 109.9° |
| C37 | C36 | C35 | 103.6° | 101.6° |
| C37 | C36 | O32 | 111.2° | 111.0° |
| C37 | C36 | H93 | 109.9° | 111.0° |
| C36 | C37 | H95 | 110.6° | 111.0° |
| C36 | C37 | H94 | 110.6° | 110.4° |
| C39 | N34 | C35 | 111.8° | 108.7° |
| C39 | N34 | C33 | 118.5° | 125.6° |
| N34 | C39 | H96 | 109.7° | 109.6° |
| C64 | N65 | C17 | 111.7° | 111.0° |
| N65 | C64 | H122 | 109.1° | 109.5° |
| N65 | C64 | H123 | 109.1° | 109.5° |
| N65 | C17 | C12 | 110.6° | 109.5° |
| N65 | C17 | H74 | 109.2° | 109.5° |
| N65 | C17 | H73 | 109.2° | 109.4° |
| C35 | C36 | O32 | 110.5° | 111.0° |
| C36 | C35 | N34 | 103.4° | 104.8° |
| C36 | C35 | H92 | 111.0° | 110.4° |
| C36 | C35 | H91 | 111.0° | 110.4° |
| C35 | C36 | H93 | 110.0° | 111.1° |
| C36 | O32 | H90 | 109.5° | 114.0° |
| O32 | C36 | H93 | 111.4° | 110.9° |
| C35 | N34 | C33 | 129.7° | 125.6° |
| N34 | C35 | H92 | 111.0° | 110.4° |
| N34 | C35 | H91 | 111.0° | 110.3° |
| N34 | C33 | O31 | 121.5° | 120.0° |
| N34 | C33 | C30 | 119.2° | 120.0° |
| C17 | C12 | C11 | 124.2° | 125.8° |
| C17 | C12 | N13 | 128.2° | 125.9° |
| C12 | C17 | H74 | 109.2° | 109.5° |
| C12 | C17 | H73 | 109.2° | 109.5° |
| O31 | C33 | C30 | 119.1° | 120.0° |
| C21 | C22 | C19 | 108.3° | 109.5° |
| C21 | C22 | C30 | 111.2° | 109.5° |
| C21 | C22 | C20 | 108.3° | 109.4° |
| C22 | C21 | H82 | 109.5° | 109.4° |
| C22 | C21 | H83 | 109.5° | 109.5° |
| C22 | C21 | H81 | 109.4° | 109.5° |
| C12 | C11 | N7 | 106.8° | 108.2° |
| C11 | C12 | N13 | 107.6° | 108.3° |
| C12 | C11 | H69 | 126.6° | 125.9° |
| C11 | N7 | C5 | 129.9° | 131.4° |
| C11 | N7 | C8 | 110.3° | 108.1° |
| N7 | C11 | H69 | 126.6° | 125.9° |
| C33 | C30 | C22 | 114.5° | 109.5° |
| C33 | C30 | N29 | 106.4° | 109.5° |
| C33 | C30 | H89 | 107.9° | 109.5° |
| C12 | N13 | C8 | 109.1° | 108.1° |
| C12 | N13 | C16 | 127.5° | 126.0° |
| C3 | C4 | C5 | 119.5° | 119.7° |
| C4 | C3 | C2 | 120.7° | 120.7° |
| C3 | C4 | H68 | 120.2° | 120.1° |
| C4 | C3 | H67 | 119.7° | 119.6° |
| C4 | C5 | N7 | 121.9° | 121.7° |
| C4 | C5 | C6 | 121.3° | 119.7° |
| C5 | C4 | H68 | 120.2° | 120.2° |
| C3 | C2 | C1 | 119.9° | 120.4° |
| C3 | C2 | H66 | 120.1° | 119.8° |
| C2 | C3 | H67 | 119.6° | 119.7° |
| C5 | N7 | C8 | 119.8° | 120.4° |
| N7 | C5 | C6 | 116.8° | 118.6° |
| N7 | C8 | N13 | 106.1° | 107.3° |
| N7 | C8 | N9 | 126.3° | 122.3° |
| C19 | C22 | C30 | 111.1° | 109.5° |
| C19 | C22 | C20 | 108.4° | 109.5° |
| C22 | C19 | H75 | 109.5° | 109.4° |
| C22 | C19 | H76 | 109.5° | 109.5° |
| C22 | C19 | H77 | 109.5° | 109.5° |
| C8 | N13 | C16 | 123.4° | 125.9° |
| N13 | C8 | N9 | 127.6° | 130.4° |
| N13 | C16 | H70 | 109.5° | 109.5° |
| N13 | C16 | H71 | 109.5° | 109.5° |
| N13 | C16 | H72 | 109.5° | 109.5° |
| C5 | C6 | C1 | 117.2° | 120.0° |
| C5 | C6 | C10 | 119.9° | 118.0° |
| C30 | C22 | C20 | 109.4° | 109.5° |
| C22 | C30 | N29 | 111.4° | 109.5° |
| C22 | C30 | H89 | 107.6° | 109.4° |
| C22 | C20 | H79 | 109.5° | 109.5° |
| C22 | C20 | H80 | 109.5° | 109.4° |
| C22 | C20 | H78 | 109.4° | 109.5° |
| C30 | N29 | C28 | 126.5° | 120.0° |
| C30 | N29 | H88 | 116.8° | 120.0° |
| N29 | C30 | H89 | 108.9° | 109.5° |
| C8 | N9 | C10 | 119.2° | 122.1° |
| C2 | C1 | C6 | 121.4° | 119.5° |
| C2 | C1 | BR15 | 116.6° | 120.3° |
| C1 | C2 | H66 | 120.1° | 119.8° |
| C1 | C6 | C10 | 122.9° | 122.0° |
| C6 | C1 | BR15 | 122.0° | 120.3° |
| C6 | C10 | N9 | 118.1° | 118.5° |
| C6 | C10 | O14 | 121.9° | 120.7° |
| N9 | C10 | O14 | 120.0° | 120.8° |
| N29 | C28 | O26 | 124.3° | 120.0° |
| N29 | C28 | C27 | 117.6° | 120.0° |
| C28 | N29 | H88 | 116.7° | 120.0° |
| O26 | C28 | C27 | 118.1° | 120.0° |
| C28 | C27 | F25 | 112.7° | 115.5° |
| C28 | C27 | C24 | 123.1° | 117.5° |
| C28 | C27 | C23 | 121.8° | 117.5° |
| F25 | C27 | C24 | 114.5° | 117.5° |
| F25 | C27 | C23 | 114.5° | 117.5° |
| C24 | C27 | C23 | 61.1° | 60.0° |
| C27 | C24 | C23 | 59.4° | 60.0° |
| C27 | C24 | H87 | 120.1° | 117.5° |
| C27 | C24 | H86 | 120.1° | 117.5° |
| C27 | C23 | C24 | 59.4° | 60.0° |
| C27 | C23 | H85 | 120.1° | 117.4° |
| C27 | C23 | H84 | 120.1° | 117.5° |
| C23 | C24 | H87 | 120.1° | 117.5° |
| C23 | C24 | H86 | 120.1° | 117.5° |
| C24 | C23 | H85 | 120.1° | 117.5° |
| C24 | C23 | H84 | 120.1° | 117.5° |
| H74 | C17 | H73 | 109.5° | 109.4° |
| H79 | C20 | H80 | 109.5° | 109.5° |
| H79 | C20 | H78 | 109.5° | 109.5° |
| H80 | C20 | H78 | 109.5° | 109.5° |
| H82 | C21 | H83 | 109.4° | 109.4° |
| H82 | C21 | H81 | 109.4° | 109.5° |
| H83 | C21 | H81 | 109.5° | 109.5° |
| H87 | C24 | H86 | 109.4° | 115.5° |
| H70 | C16 | H71 | 109.5° | 109.5° |
| H70 | C16 | H72 | 109.4° | 109.4° |
| H71 | C16 | H72 | 109.5° | 109.5° |
| H75 | C19 | H76 | 109.4° | 109.5° |
| H75 | C19 | H77 | 109.5° | 109.5° |
| H76 | C19 | H77 | 109.5° | 109.4° |
| H85 | C23 | H84 | 109.5° | 115.6° |
| H92 | C35 | H91 | 109.5° | 110.3° |
| H95 | C37 | H94 | 109.5° | 110.7° |
| H99 | C42 | H98 | 109.4° | 109.5° |
| H105 | C49 | H103 | 109.4° | 109.4° |
| H105 | C49 | H104 | 109.5° | 109.5° |
| H103 | C49 | H104 | 109.5° | 109.4° |
| H108 | C55 | H107 | 109.5° | 109.5° |
| H109 | C56 | H110 | 109.5° | 109.5° |
| H111 | C57 | H112 | 109.5° | 109.5° |
| H114 | C58 | H113 | 109.5° | 109.5° |
| H115 | C60 | H116 | 109.5° | 109.5° |
| H117 | C61 | H118 | 109.5° | 109.5° |
| H120 | C63 | H121 | 109.5° | 109.4° |
| H122 | C64 | H123 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N51 | C52 | S53 | H106 | 180.0° | 179.9° |
| C52 | N51 | C50 | C49 | 179.2° | 180.0° |
| C52 | N51 | C50 | C54 | 0.3° | 0.3° |
| N51 | C52 | S53 | C54 | 0.4° | 0.2° |
| C50 | N51 | C52 | S53 | 0.5° | 0.0° |
| N51 | C50 | C49 | C54 | 178.8° | 179.7° |
| N51 | C50 | C54 | S53 | 0.0° | 0.4° |
| N51 | C50 | C54 | C48 | 179.6° | 179.8° |
| N51 | C50 | C49 | H105 | 0.0° | 86.0° |
| N51 | C50 | C49 | H103 | 120.0° | 34.0° |
| N51 | C50 | C49 | H104 | 120.0° | 154.0° |
| C50 | N51 | C52 | H106 | 179.5° | 179.9° |
| C52 | S53 | C54 | C50 | 0.2° | 0.4° |
| C52 | S53 | C54 | C48 | 179.5° | 179.8° |
| C49 | C50 | C54 | S53 | 178.8° | 179.9° |
| C49 | C50 | C54 | C48 | 1.6° | 0.0° |
| C50 | C49 | H105 | H103 | 120.0° | 120.0° |
| C50 | C49 | H105 | H104 | 120.0° | 120.0° |
| C50 | C49 | H103 | H104 | 120.0° | 120.0° |
| C50 | C54 | S53 | C48 | 179.7° | 179.8° |
| C50 | C54 | C48 | C43 | 44.0° | 49.0° |
| C50 | C54 | C48 | C47 | 137.0° | 131.5° |
| C54 | C50 | C49 | H105 | 178.8° | 93.6° |
| C54 | C50 | C49 | H103 | 61.2° | 146.3° |
| C54 | C50 | C49 | H104 | 58.8° | 26.4° |
| S53 | C54 | C48 | C43 | 135.7° | 131.2° |
| S53 | C54 | C48 | C47 | 43.4° | 48.3° |
| C54 | S53 | C52 | H106 | 179.6° | 179.9° |
| C54 | C48 | C43 | C47 | 179.1° | 179.5° |
| C54 | C48 | C43 | C44 | 179.5° | 180.0° |
| C54 | C48 | C47 | C46 | 179.4° | 180.0° |
| C54 | C48 | C43 | H100 | 0.5° | 0.2° |
| C54 | C48 | C47 | H102 | 0.6° | 0.2° |
| C48 | C43 | C44 | H100 | 180.0° | 179.8° |
| C43 | C48 | C47 | C46 | 1.5° | 0.5° |
| C48 | C43 | C44 | O18 | 179.3° | 179.8° |
| C48 | C43 | C44 | C45 | 0.7° | 0.3° |
| C43 | C48 | C47 | H102 | 178.5° | 179.7° |
| C47 | C48 | C43 | C44 | 0.4° | 0.5° |
| C48 | C47 | C46 | H102 | 180.0° | 179.8° |
| C48 | C47 | C46 | C45 | 1.5° | 0.2° |
| C47 | C48 | C43 | H100 | 179.6° | 179.7° |
| C48 | C47 | C46 | H101 | 178.5° | 179.8° |
| C43 | C44 | O18 | C55 | 30.8° | 0.0° |
| C43 | C44 | O18 | C45 | 178.6° | 179.9° |
| C43 | C44 | C45 | C46 | 0.7° | 0.0° |
| C43 | C44 | C45 | C42 | 178.8° | 180.0° |
| C56 | C55 | O18 | H108 | 119.7° | 120.0° |
| C56 | C55 | O18 | H107 | 119.7° | 120.0° |
| C55 | C56 | O59 | H109 | 119.8° | 120.0° |
| C55 | C56 | O59 | H110 | 119.8° | 120.0° |
| C56 | C55 | O18 | C44 | 126.9° | 180.0° |
| C55 | C56 | O59 | C60 | 138.4° | 180.0° |
| C56 | C55 | H108 | H107 | 120.9° | 120.0° |
| C55 | C56 | H109 | H110 | 120.5° | 120.0° |
| O18 | C55 | C56 | O59 | 58.6° | 65.0° |
| C55 | O18 | C44 | C45 | 150.6° | 180.0° |
| O18 | C55 | H108 | H107 | 120.8° | 120.0° |
| O18 | C55 | C56 | H109 | 61.2° | 175.0° |
| O18 | C55 | C56 | H110 | 178.5° | 55.0° |
| C56 | O59 | C60 | C61 | 147.4° | 180.0° |
| O59 | C56 | C55 | H108 | 61.1° | 55.0° |
| O59 | C56 | C55 | H107 | 178.3° | 175.0° |
| O59 | C56 | H109 | H110 | 120.5° | 120.0° |
| C56 | O59 | C60 | H115 | 92.7° | 60.0° |
| C56 | O59 | C60 | H116 | 27.5° | 60.0° |
| C47 | C46 | C45 | C44 | 0.4° | 0.0° |
| C47 | C46 | C45 | H101 | 180.0° | 180.0° |
| C47 | C46 | C45 | C42 | 179.9° | 180.0° |
| O18 | C44 | C45 | C46 | 179.4° | 179.9° |
| O18 | C44 | C45 | C42 | 0.2° | 0.1° |
| O18 | C44 | C43 | H100 | 0.7° | 0.0° |
| C44 | O18 | C55 | H108 | 7.2° | 60.0° |
| C44 | O18 | C55 | H107 | 113.4° | 60.0° |
| C44 | C45 | C46 | C42 | 179.5° | 180.0° |
| C44 | C45 | C42 | N41 | 171.2° | 80.0° |
| C44 | C45 | C42 | H99 | 68.2° | 40.0° |
| C44 | C45 | C42 | H98 | 50.5° | 160.0° |
| C45 | C44 | C43 | H100 | 179.3° | 180.0° |
| C44 | C45 | C46 | H101 | 179.6° | 180.0° |
| O59 | C60 | C61 | H115 | 119.9° | 120.0° |
| O59 | C60 | C61 | H116 | 119.9° | 120.0° |
| O59 | C60 | C61 | N62 | 156.0° | 65.0° |
| C60 | O59 | C56 | H109 | 18.6° | 60.0° |
| C60 | O59 | C56 | H110 | 101.7° | 60.0° |
| O59 | C60 | H115 | H116 | 120.3° | 120.0° |
| O59 | C60 | C61 | H117 | 34.9° | 175.0° |
| O59 | C60 | C61 | H118 | 82.9° | 55.0° |
| C46 | C45 | C42 | N41 | 9.3° | 100.0° |
| C46 | C45 | C42 | H99 | 111.4° | 140.0° |
| C46 | C45 | C42 | H98 | 130.0° | 19.9° |
| C45 | C46 | C47 | H102 | 178.5° | 179.9° |
| C45 | C42 | N41 | H99 | 120.7° | 120.0° |
| C45 | C42 | N41 | H98 | 120.7° | 120.0° |
| C45 | C42 | N41 | C40 | 98.3° | 180.0° |
| C45 | C42 | N41 | H97 | 81.7° | 0.0° |
| C45 | C42 | H99 | H98 | 118.0° | 120.0° |
| C42 | C45 | C46 | H101 | 0.1° | 0.0° |
| C60 | C61 | N62 | H117 | 121.1° | 120.0° |
| C60 | C61 | N62 | H118 | 121.1° | 120.0° |
| C60 | C61 | N62 | C58 | 13.9° | 175.0° |
| C60 | C61 | N62 | C63 | 112.9° | 64.9° |
| C61 | C60 | H115 | H116 | 120.3° | 120.0° |
| C60 | C61 | H117 | H118 | 116.6° | 120.0° |
| C60 | C61 | N62 | H119 | 130.9° | 55.1° |
| C61 | N62 | C58 | C63 | 128.3° | 120.0° |
| C61 | N62 | C58 | H119 | 116.9° | 120.0° |
| C61 | N62 | C63 | H119 | 116.1° | 120.0° |
| C61 | N62 | C58 | C57 | 174.1° | 179.2° |
| C61 | N62 | C63 | C64 | 173.6° | 179.2° |
| C61 | N62 | C58 | H114 | 65.9° | 59.3° |
| C61 | N62 | C58 | H113 | 54.2° | 60.8° |
| N62 | C61 | C60 | H115 | 84.1° | 55.0° |
| N62 | C61 | C60 | H116 | 36.1° | 175.0° |
| N62 | C61 | H117 | H118 | 116.6° | 120.0° |
| C61 | N62 | C63 | H120 | 53.8° | 59.2° |
| C61 | N62 | C63 | H121 | 66.5° | 60.7° |
| C42 | N41 | C40 | H97 | 180.0° | 179.9° |
| C42 | N41 | C40 | O38 | 9.6° | 0.1° |
| C42 | N41 | C40 | C39 | 169.6° | 180.0° |
| N41 | C42 | H99 | H98 | 118.0° | 120.0° |
| C58 | N62 | C63 | H119 | 114.9° | 120.0° |
| N62 | C58 | C57 | H114 | 119.9° | 120.0° |
| N62 | C58 | C57 | H113 | 120.0° | 120.0° |
| N62 | C58 | C57 | N65 | 59.5° | 59.2° |
| C58 | N62 | C63 | C64 | 57.3° | 60.8° |
| N62 | C58 | C57 | H111 | 179.7° | 179.1° |
| N62 | C58 | C57 | H112 | 60.6° | 60.7° |
| N62 | C58 | H114 | H113 | 120.1° | 120.0° |
| C58 | N62 | C61 | H117 | 107.1° | 65.0° |
| C58 | N62 | C61 | H118 | 135.0° | 55.0° |
| C58 | N62 | C63 | H120 | 177.1° | 179.2° |
| C58 | N62 | C63 | H121 | 62.5° | 59.3° |
| C63 | N62 | C58 | C57 | 57.6° | 60.7° |
| N62 | C63 | C64 | H120 | 119.8° | 120.0° |
| N62 | C63 | C64 | H121 | 119.8° | 120.0° |
| N62 | C63 | C64 | N65 | 59.8° | 59.2° |
| C63 | N62 | C58 | H114 | 62.4° | 179.3° |
| C63 | N62 | C58 | H113 | 177.5° | 59.3° |
| C63 | N62 | C61 | H117 | 126.0° | 55.0° |
| C63 | N62 | C61 | H118 | 8.1° | 175.1° |
| N62 | C63 | H120 | H121 | 120.6° | 120.0° |
| N62 | C63 | C64 | H122 | 60.4° | 60.8° |
| N62 | C63 | C64 | H123 | 180.0° | 179.2° |
| C58 | C57 | N65 | H111 | 120.2° | 120.0° |
| C58 | C57 | N65 | H112 | 120.2° | 120.0° |
| C58 | C57 | N65 | C64 | 61.2° | 58.6° |
| C58 | C57 | N65 | C17 | 175.9° | 177.6° |
| C58 | C57 | H111 | H112 | 119.5° | 120.1° |
| C57 | C58 | H114 | H113 | 120.1° | 120.0° |
| C57 | C58 | N62 | H119 | 57.3° | 59.2° |
| N41 | C40 | O38 | C39 | 179.1° | 179.9° |
| N41 | C40 | C39 | C37 | 87.5° | 61.5° |
| N41 | C40 | C39 | N34 | 155.4° | 179.4° |
| N41 | C40 | C39 | H96 | 31.5° | 59.6° |
| C40 | N41 | C42 | H99 | 141.1° | 60.0° |
| C40 | N41 | C42 | H98 | 22.4° | 60.1° |
| O38 | C40 | C39 | C37 | 91.7° | 118.6° |
| O38 | C40 | C39 | N34 | 25.4° | 0.7° |
| O38 | C40 | C39 | H96 | 149.3° | 120.3° |
| O38 | C40 | N41 | H97 | 170.4° | 180.0° |
| C40 | C39 | C37 | N34 | 124.0° | 119.7° |
| C40 | C39 | C37 | H96 | 119.1° | 121.2° |
| C40 | C39 | C37 | C36 | 144.1° | 141.6° |
| C40 | C39 | N34 | H96 | 123.5° | 121.2° |
| C40 | C39 | N34 | C35 | 118.9° | 118.1° |
| C40 | C39 | N34 | C33 | 60.8° | 61.6° |
| C40 | C39 | C37 | H95 | 24.9° | 99.7° |
| C40 | C39 | C37 | H94 | 96.6° | 23.5° |
| C39 | C40 | N41 | H97 | 10.4° | 0.1° |
| C57 | N65 | C64 | C63 | 61.6° | 58.6° |
| C57 | N65 | C64 | C17 | 122.2° | 123.8° |
| C57 | N65 | C17 | C12 | 82.3° | 164.3° |
| C57 | N65 | C17 | H74 | 37.9° | 75.7° |
| C57 | N65 | C17 | H73 | 157.5° | 44.3° |
| N65 | C57 | H111 | H112 | 119.4° | 120.0° |
| N65 | C57 | C58 | H114 | 60.4° | 179.2° |
| N65 | C57 | C58 | H113 | 179.5° | 60.8° |
| C57 | N65 | C64 | H122 | 58.6° | 61.4° |
| C57 | N65 | C64 | H123 | 178.2° | 178.5° |
| C63 | C64 | N65 | H122 | 120.2° | 120.0° |
| C63 | C64 | N65 | H123 | 120.2° | 119.9° |
| C63 | C64 | N65 | C17 | 176.2° | 177.6° |
| C64 | C63 | H120 | H121 | 120.5° | 120.0° |
| C63 | C64 | H122 | H123 | 119.4° | 120.0° |
| C64 | C63 | N62 | H119 | 57.5° | 59.2° |
| C39 | C37 | C36 | H95 | 119.3° | 118.5° |
| C39 | C37 | C36 | H94 | 119.3° | 118.3° |
| C37 | C39 | N34 | H96 | 116.3° | 119.2° |
| C39 | C37 | C36 | C35 | 33.6° | 35.3° |
| C39 | C37 | C36 | O32 | 85.1° | 82.7° |
| C37 | C39 | N34 | C35 | 1.3° | 1.4° |
| C37 | C39 | N34 | C33 | 179.0° | 178.9° |
| C39 | C37 | C36 | H93 | 151.1° | 153.5° |
| C39 | C37 | H95 | H94 | 122.2° | 123.2° |
| C36 | C37 | C39 | N34 | 20.1° | 21.9° |
| C37 | C36 | C35 | O32 | 119.2° | 118.1° |
| C37 | C36 | C35 | H93 | 117.5° | 118.1° |
| C37 | C36 | O32 | H93 | 122.9° | 123.9° |
| C37 | C36 | C35 | N34 | 33.8° | 37.0° |
| C37 | C36 | O32 | H90 | 180.0° | 173.7° |
| C37 | C36 | C35 | H92 | 85.2° | 155.9° |
| C37 | C36 | C35 | H91 | 152.8° | 81.9° |
| C36 | C37 | H95 | H94 | 122.1° | 123.0° |
| C36 | C37 | C39 | H96 | 96.8° | 97.2° |
| C39 | N34 | C35 | C36 | 22.2° | 24.3° |
| C39 | N34 | C35 | C33 | 179.7° | 179.8° |
| C39 | N34 | C33 | O31 | 1.2° | 4.5° |
| C39 | N34 | C33 | C30 | 176.3° | 175.5° |
| C39 | N34 | C35 | H92 | 96.8° | 143.2° |
| C39 | N34 | C35 | H91 | 141.3° | 94.6° |
| N34 | C39 | C37 | H95 | 99.1° | 140.6° |
| N34 | C39 | C37 | H94 | 139.4° | 96.2° |
| C64 | N65 | C17 | C12 | 156.6° | 72.0° |
| C64 | N65 | C17 | H74 | 83.2° | 48.0° |
| C64 | N65 | C17 | H73 | 36.4° | 168.0° |
| C64 | N65 | C57 | H111 | 178.6° | 178.6° |
| C64 | N65 | C57 | H112 | 59.0° | 61.4° |
| N65 | C64 | C63 | H120 | 179.6° | 179.2° |
| N65 | C64 | C63 | H121 | 60.0° | 60.8° |
| N65 | C64 | H122 | H123 | 119.4° | 120.1° |
| N65 | C17 | C12 | H74 | 120.2° | 120.0° |
| N65 | C17 | C12 | H73 | 120.2° | 120.0° |
| N65 | C17 | C12 | C11 | 117.3° | 113.8° |
| N65 | C17 | C12 | N13 | 61.6° | 66.3° |
| N65 | C17 | H74 | H73 | 119.5° | 119.9° |
| C17 | N65 | C57 | H111 | 55.7° | 57.6° |
| C17 | N65 | C57 | H112 | 64.0° | 62.4° |
| C17 | N65 | C64 | H122 | 63.6° | 62.4° |
| C17 | N65 | C64 | H123 | 56.0° | 57.7° |
| C35 | C36 | O32 | H93 | 122.6° | 123.9° |
| C36 | C35 | N34 | H92 | 119.0° | 118.9° |
| C36 | C35 | N34 | H91 | 119.0° | 118.9° |
| C36 | C35 | N34 | C33 | 158.1° | 155.9° |
| C35 | C36 | O32 | H90 | 65.5° | 61.5° |
| C36 | C35 | H92 | H91 | 122.9° | 122.3° |
| C35 | C36 | C37 | H95 | 85.7° | 153.9° |
| C35 | C36 | C37 | H94 | 152.9° | 83.0° |
| O32 | C36 | C35 | N34 | 85.4° | 81.1° |
| O32 | C36 | C35 | H92 | 155.6° | 37.8° |
| O32 | C36 | C35 | H91 | 33.7° | 160.1° |
| O32 | C36 | C37 | H95 | 155.6° | 35.8° |
| O32 | C36 | C37 | H94 | 34.1° | 159.0° |
| C35 | N34 | C33 | O31 | 179.2° | 175.3° |
| C35 | N34 | C33 | C30 | 4.1° | 4.7° |
| N34 | C35 | H92 | H91 | 122.8° | 122.2° |
| N34 | C35 | C36 | H93 | 151.3° | 155.1° |
| C35 | N34 | C39 | H96 | 117.6° | 120.6° |
| N34 | C33 | O31 | C30 | 175.1° | 180.0° |
| N34 | C33 | C30 | C22 | 98.2° | 93.6° |
| N34 | C33 | C30 | N29 | 138.2° | 146.3° |
| N34 | C33 | C30 | H89 | 21.6° | 26.3° |
| C33 | N34 | C35 | H92 | 82.9° | 37.0° |
| C33 | N34 | C35 | H91 | 39.1° | 85.2° |
| C33 | N34 | C39 | H96 | 62.7° | 59.6° |
| C17 | C12 | C11 | N13 | 179.1° | 179.9° |
| C17 | C12 | C11 | N7 | 178.8° | 180.0° |
| C17 | C12 | N13 | C8 | 178.8° | 180.0° |
| C17 | C12 | N13 | C16 | 1.4° | 0.0° |
| C12 | C17 | H74 | H73 | 119.5° | 120.1° |
| C17 | C12 | C11 | H69 | 1.2° | 0.1° |
| O31 | C33 | C30 | C22 | 86.6° | 86.4° |
| O31 | C33 | C30 | N29 | 37.0° | 33.6° |
| O31 | C33 | C30 | H89 | 153.6° | 153.7° |
| C21 | C22 | C30 | C33 | 53.7° | 64.6° |
| C21 | C22 | C19 | C30 | 122.4° | 120.0° |
| C21 | C22 | C19 | C20 | 117.3° | 120.0° |
| C21 | C22 | C30 | C20 | 119.6° | 120.0° |
| C21 | C22 | C30 | N29 | 174.5° | 55.5° |
| C21 | C22 | C20 | H79 | 180.0° | 63.8° |
| C21 | C22 | C20 | H80 | 60.0° | 176.3° |
| C21 | C22 | C20 | H78 | 60.0° | 56.3° |
| C22 | C21 | H82 | H83 | 120.0° | 120.0° |
| C22 | C21 | H82 | H81 | 120.0° | 120.0° |
| C22 | C21 | H83 | H81 | 120.0° | 120.0° |
| C21 | C22 | C19 | H75 | 180.0° | 60.0° |
| C21 | C22 | C19 | H76 | 60.0° | 180.0° |
| C21 | C22 | C19 | H77 | 60.0° | 60.0° |
| C21 | C22 | C30 | H89 | 66.2° | 175.5° |
| C12 | C11 | N7 | H69 | 180.0° | 179.9° |
| C12 | C11 | N7 | C5 | 178.4° | 179.9° |
| C12 | C11 | N7 | C8 | 1.4° | 0.0° |
| C11 | C12 | N13 | C8 | 2.2° | 0.0° |
| C11 | C12 | N13 | C16 | 179.6° | 180.0° |
| C11 | C12 | C17 | H74 | 2.9° | 6.3° |
| C11 | C12 | C17 | H73 | 122.6° | 126.3° |
| N7 | C11 | C12 | N13 | 2.2° | 0.0° |
| C11 | N7 | C5 | C4 | 0.4° | 0.0° |
| C11 | N7 | C5 | C8 | 179.8° | 179.9° |
| C11 | N7 | C8 | N13 | 0.0° | 0.0° |
| C11 | N7 | C5 | C6 | 179.5° | 180.0° |
| C11 | N7 | C8 | N9 | 179.9° | 180.0° |
| C33 | C30 | C22 | C19 | 67.0° | 175.4° |
| C33 | C30 | C22 | N29 | 120.8° | 120.0° |
| C33 | C30 | C22 | H89 | 119.9° | 120.0° |
| C33 | C30 | C22 | C20 | 173.3° | 55.4° |
| C33 | C30 | N29 | H89 | 116.0° | 120.0° |
| C33 | C30 | N29 | C28 | 120.3° | 155.0° |
| C33 | C30 | N29 | H88 | 59.7° | 25.0° |
| C12 | N13 | C8 | N7 | 1.3° | 0.0° |
| C12 | N13 | C8 | C16 | 177.5° | 180.0° |
| C12 | N13 | C8 | N9 | 178.5° | 179.9° |
| N13 | C12 | C17 | H74 | 178.3° | 173.6° |
| N13 | C12 | C17 | H73 | 58.6° | 53.6° |
| N13 | C12 | C11 | H69 | 177.9° | 180.0° |
| C12 | N13 | C16 | H70 | 180.0° | 94.8° |
| C12 | N13 | C16 | H71 | 60.0° | 145.1° |
| C12 | N13 | C16 | H72 | 60.0° | 25.1° |
| C3 | C4 | C5 | H68 | 180.0° | 179.7° |
| C4 | C3 | C2 | H67 | 180.0° | 180.0° |
| C3 | C4 | C5 | N7 | 179.2° | 180.0° |
| C3 | C4 | C5 | C6 | 1.8° | 0.0° |
| C4 | C3 | C2 | C1 | 2.8° | 0.1° |
| C4 | C3 | C2 | H66 | 177.1° | 180.0° |
| C5 | C4 | C3 | C2 | 2.9° | 0.0° |
| C4 | C5 | N7 | C6 | 179.1° | 180.0° |
| C4 | C5 | N7 | C8 | 179.8° | 180.0° |
| C4 | C5 | C6 | C1 | 0.6° | 0.1° |
| C4 | C5 | C6 | C10 | 179.4° | 180.0° |
| C5 | C4 | C3 | H67 | 177.1° | 180.0° |
| C3 | C2 | C1 | H66 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 1.6° | 0.0° |
| C3 | C2 | C1 | BR15 | 178.2° | 179.9° |
| C2 | C3 | C4 | H68 | 177.1° | 179.6° |
| C5 | N7 | C8 | N13 | 179.8° | 180.0° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| N7 | C5 | C6 | C1 | 179.6° | 179.9° |
| N7 | C5 | C6 | C10 | 0.3° | 0.1° |
| N7 | C5 | C4 | H68 | 0.8° | 0.3° |
| C5 | N7 | C11 | H69 | 1.6° | 0.0° |
| N7 | C8 | N13 | N9 | 179.9° | 180.0° |
| N7 | C8 | N13 | C16 | 178.8° | 180.0° |
| C8 | N7 | C5 | C6 | 0.7° | 0.0° |
| N7 | C8 | N9 | C10 | 1.0° | 0.0° |
| C8 | N7 | C11 | H69 | 178.6° | 179.9° |
| C19 | C22 | C30 | C20 | 119.7° | 120.0° |
| C19 | C22 | C30 | N29 | 53.8° | 64.5° |
| C19 | C22 | C20 | H79 | 62.7° | 176.2° |
| C19 | C22 | C20 | H80 | 57.3° | 56.3° |
| C19 | C22 | C20 | H78 | 177.3° | 63.7° |
| C19 | C22 | C21 | H82 | 180.0° | 180.0° |
| C19 | C22 | C21 | H83 | 60.0° | 60.0° |
| C19 | C22 | C21 | H81 | 60.0° | 60.1° |
| C22 | C19 | H75 | H76 | 120.0° | 120.0° |
| C22 | C19 | H75 | H77 | 120.0° | 120.0° |
| C22 | C19 | H76 | H77 | 120.0° | 120.0° |
| C19 | C22 | C30 | H89 | 173.1° | 55.4° |
| N13 | C8 | N9 | C10 | 179.1° | 180.0° |
| C8 | N13 | C16 | H70 | 3.0° | 85.2° |
| C8 | N13 | C16 | H71 | 117.0° | 34.9° |
| C8 | N13 | C16 | H72 | 123.0° | 154.9° |
| C16 | N13 | C8 | N9 | 1.0° | 0.1° |
| N13 | C16 | H70 | H71 | 120.0° | 120.0° |
| N13 | C16 | H70 | H72 | 120.0° | 119.9° |
| N13 | C16 | H71 | H72 | 120.0° | 120.0° |
| C5 | C6 | C1 | C2 | 0.5° | 0.0° |
| C5 | C6 | C1 | C10 | 179.9° | 180.0° |
| C5 | C6 | C1 | BR15 | 179.3° | 179.9° |
| C5 | C6 | C10 | N9 | 0.8° | 0.0° |
| C5 | C6 | C10 | O14 | 179.6° | 180.0° |
| C6 | C5 | C4 | H68 | 178.3° | 179.7° |
| C22 | C30 | N29 | H89 | 118.5° | 120.0° |
| C22 | C30 | N29 | C28 | 114.2° | 85.0° |
| C30 | C22 | C20 | H79 | 58.6° | 56.2° |
| C30 | C22 | C20 | H80 | 178.6° | 63.7° |
| C30 | C22 | C20 | H78 | 61.4° | 176.3° |
| C30 | C22 | C21 | H82 | 57.6° | 60.0° |
| C30 | C22 | C21 | H83 | 177.6° | 180.0° |
| C30 | C22 | C21 | H81 | 62.4° | 60.0° |
| C30 | C22 | C19 | H75 | 57.5° | 180.0° |
| C30 | C22 | C19 | H76 | 62.4° | 60.0° |
| C30 | C22 | C19 | H77 | 177.6° | 60.0° |
| C22 | C30 | N29 | H88 | 65.8° | 95.0° |
| C20 | C22 | C30 | N29 | 65.9° | 175.5° |
| C22 | C20 | H79 | H80 | 120.0° | 119.9° |
| C22 | C20 | H79 | H78 | 120.0° | 120.0° |
| C22 | C20 | H80 | H78 | 120.0° | 120.0° |
| C20 | C22 | C21 | H82 | 62.6° | 60.0° |
| C20 | C22 | C21 | H83 | 57.4° | 60.0° |
| C20 | C22 | C21 | H81 | 177.4° | 180.0° |
| C20 | C22 | C19 | H75 | 62.7° | 60.0° |
| C20 | C22 | C19 | H76 | 177.3° | 60.0° |
| C20 | C22 | C19 | H77 | 57.3° | 180.0° |
| C20 | C22 | C30 | H89 | 53.4° | 64.6° |
| C30 | N29 | C28 | H88 | 180.0° | 180.0° |
| C30 | N29 | C28 | O26 | 4.1° | 0.1° |
| C30 | N29 | C28 | C27 | 176.7° | 180.0° |
| C8 | N9 | C10 | C6 | 1.4° | 0.0° |
| C8 | N9 | C10 | O14 | 179.7° | 179.9° |
| C2 | C1 | C6 | BR15 | 179.8° | 179.9° |
| C2 | C1 | C6 | C10 | 179.4° | 180.0° |
| C1 | C2 | C3 | H67 | 177.2° | 179.9° |
| C1 | C6 | C10 | N9 | 179.3° | 179.9° |
| C1 | C6 | C10 | O14 | 0.4° | 0.0° |
| C6 | C1 | C2 | H66 | 178.3° | 180.0° |
| C10 | C6 | C1 | BR15 | 0.8° | 0.1° |
| C6 | C10 | N9 | O14 | 178.9° | 179.9° |
| BR15 | C1 | C2 | H66 | 1.8° | 0.1° |
| N29 | C28 | O26 | C27 | 179.3° | 179.9° |
| N29 | C28 | C27 | F25 | 0.7° | 24.4° |
| N29 | C28 | C27 | C24 | 143.4° | 170.1° |
| N29 | C28 | C27 | C23 | 142.5° | 121.3° |
| C28 | N29 | C30 | H89 | 4.4° | 35.0° |
| O26 | C28 | C27 | F25 | 180.0° | 155.6° |
| O26 | C28 | C27 | C24 | 35.9° | 9.9° |
| O26 | C28 | C27 | C23 | 38.2° | 58.8° |
| O26 | C28 | N29 | H88 | 176.0° | 180.0° |
| C28 | C27 | F25 | C24 | 147.3° | 145.7° |
| C28 | C27 | F25 | C23 | 144.8° | 145.7° |
| C28 | C27 | C24 | C23 | 111.0° | 107.5° |
| C28 | C27 | C24 | H87 | 1.6° | 145.0° |
| C28 | C27 | C24 | H86 | 139.7° | 0.0° |
| C28 | C27 | C23 | H85 | 137.5° | 0.0° |
| C28 | C27 | C23 | H84 | 3.8° | 145.0° |
| C27 | C28 | N29 | H88 | 3.3° | 0.1° |
| F25 | C27 | C24 | C23 | 105.6° | 107.5° |
| F25 | C27 | C24 | H87 | 145.1° | 0.0° |
| F25 | C27 | C24 | H86 | 3.7° | 145.0° |
| F25 | C27 | C23 | H85 | 3.7° | 145.0° |
| F25 | C27 | C23 | H84 | 145.1° | 0.0° |
| C27 | C24 | C23 | H87 | 109.3° | 107.5° |
| C27 | C24 | C23 | H86 | 109.3° | 107.5° |
| C27 | C24 | H87 | H86 | 145.0° | 145.7° |
| C24 | C27 | C23 | H85 | 109.3° | 107.5° |
| C24 | C27 | C23 | H84 | 109.3° | 107.5° |
| C27 | C23 | H85 | H84 | 145.0° | 145.7° |
| C23 | C24 | H87 | H86 | 145.0° | 145.7° |
| C24 | C23 | H85 | H84 | 145.0° | 145.7° |
| H68 | C4 | C3 | H67 | 2.9° | 0.3° |
| H79 | C20 | H80 | H78 | 120.0° | 120.0° |
| H82 | C21 | H83 | H81 | 120.0° | 120.0° |
| H87 | C24 | C23 | H85 | 141.4° | 145.0° |
| H87 | C24 | C23 | H84 | 0.0° | 0.0° |
| H86 | C24 | C23 | H85 | 0.0° | 0.0° |
| H86 | C24 | C23 | H84 | 141.4° | 145.0° |
| H66 | C2 | C3 | H67 | 2.9° | 0.0° |
| H70 | C16 | H71 | H72 | 119.9° | 119.9° |
| H75 | C19 | H76 | H77 | 120.0° | 120.0° |
| H88 | N29 | C30 | H89 | 175.6° | 145.0° |
| H90 | O32 | C36 | H93 | 57.1° | 62.4° |
| H92 | C35 | C36 | H93 | 32.3° | 86.0° |
| H91 | C35 | C36 | H93 | 89.7° | 36.2° |
| H93 | C36 | C37 | H95 | 31.9° | 88.0° |
| H93 | C36 | C37 | H94 | 89.6° | 35.2° |
| H95 | C37 | C39 | H96 | 144.0° | 21.5° |
| H94 | C37 | C39 | H96 | 22.5° | 144.8° |
| H97 | N41 | C42 | H99 | 38.9° | 119.9° |
| H97 | N41 | C42 | H98 | 157.6° | 120.0° |
| H101 | C46 | C47 | H102 | 1.5° | 0.1° |
| H105 | C49 | H103 | H104 | 120.0° | 120.0° |
| H108 | C55 | C56 | H109 | 179.1° | 65.0° |
| H108 | C55 | C56 | H110 | 58.7° | 175.0° |
| H107 | C55 | C56 | H109 | 58.5° | 55.0° |
| H107 | C55 | C56 | H110 | 61.8° | 65.0° |
| H111 | C57 | C58 | H114 | 59.8° | 60.9° |
| H111 | C57 | C58 | H113 | 60.3° | 59.1° |
| H112 | C57 | C58 | H114 | 179.4° | 59.2° |
| H112 | C57 | C58 | H113 | 59.4° | 179.2° |
| H114 | C58 | N62 | H119 | 177.2° | 60.7° |
| H113 | C58 | N62 | H119 | 62.7° | 179.3° |
| H115 | C60 | C61 | H117 | 154.8° | 65.0° |
| H115 | C60 | C61 | H118 | 37.0° | 175.0° |
| H116 | C60 | C61 | H117 | 85.0° | 55.0° |
| H116 | C60 | C61 | H118 | 157.2° | 65.0° |
| H117 | C61 | N62 | H119 | 9.8° | 175.0° |
| H118 | C61 | N62 | H119 | 108.0° | 65.0° |
| H120 | C63 | C64 | H122 | 59.5° | 59.2° |
| H120 | C63 | C64 | H123 | 60.2° | 60.8° |
| H120 | C63 | N62 | H119 | 62.3° | 60.8° |
| H121 | C63 | C64 | H122 | 179.8° | 179.2° |
| H121 | C63 | C64 | H123 | 60.2° | 59.1° |
| H121 | C63 | N62 | H119 | 177.4° | 179.3° |
