KHK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O76 | N74 | sing | 1.22Å | 1.19Å | |
| O75 | N74 | doub | 1.22Å | 1.32Å | |
| N74 | C01 | sing | 1.48Å | 1.44Å | |
| C01 | C02 | doub | 1.41Å | 1.41Å | Aromatic |
| C01 | C04 | sing | 1.37Å | 1.42Å | Aromatic |
| C02 | C03 | sing | 1.37Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.42Å | 1.40Å | Aromatic |
| C03 | C06 | doub | 1.42Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.43Å | 1.44Å | Aromatic |
| C05 | N07 | sing | 1.35Å | 1.31Å | Aromatic |
| C06 | N10 | sing | 1.35Å | 1.30Å | Aromatic |
| N07 | C08 | doub | 1.33Å | 1.35Å | Aromatic |
| C41 | C40 | doub | 1.35Å | 1.44Å | Aromatic |
| C41 | C42 | sing | 1.40Å | 1.29Å | Aromatic |
| C40 | C39 | sing | 1.40Å | 1.35Å | Aromatic |
| N10 | C09 | doub | 1.33Å | 1.35Å | Aromatic |
| C08 | C09 | sing | 1.43Å | 1.43Å | Aromatic |
| C08 | C11 | sing | 1.46Å | 1.40Å | Aromatic |
| C09 | C18 | sing | 1.46Å | 1.39Å | Aromatic |
| C42 | C44 | doub | 1.43Å | 1.48Å | Aromatic |
| C42 | C43 | sing | 1.41Å | 1.44Å | Aromatic |
| C39 | N38 | doub | 1.33Å | 1.41Å | Aromatic |
| C44 | C45 | sing | 1.34Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.37Å | 1.50Å | Aromatic |
| C11 | C16 | sing | 1.42Å | 1.38Å | Aromatic |
| C18 | C23 | doub | 1.40Å | 1.36Å | Aromatic |
| C18 | C17 | sing | 1.42Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.37Å | 1.49Å | Aromatic |
| C43 | N38 | sing | 1.36Å | 1.39Å | Aromatic |
| C43 | C47 | doub | 1.44Å | 1.33Å | Aromatic |
| C45 | C46 | doub | 1.43Å | 1.48Å | Aromatic |
| N38 | RU19 | sing | 2.47Å | 1.99Å | |
| C16 | C17 | sing | 1.45Å | 1.40Å | Aromatic |
| C16 | N15 | doub | 1.35Å | 1.40Å | Aromatic |
| C17 | N20 | doub | 1.35Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.33Å | 1.41Å | Aromatic |
| N15 | RU19 | sing | 2.22Å | 2.00Å | |
| C22 | C21 | doub | 1.40Å | 1.35Å | Aromatic |
| C47 | C46 | sing | 1.41Å | 1.44Å | Aromatic |
| C47 | N48 | sing | 1.36Å | 1.38Å | Aromatic |
| N20 | C21 | sing | 1.33Å | 1.41Å | Aromatic |
| N20 | RU19 | sing | 2.17Å | 2.01Å | |
| C46 | C49 | sing | 1.40Å | 1.30Å | Aromatic |
| RU19 | N48 | sing | 2.32Å | 2.01Å | |
| RU19 | N24 | sing | 2.34Å | 2.01Å | |
| RU19 | N37 | sing | 2.48Å | 1.99Å | |
| C25 | N24 | doub | 1.33Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.35Å | Aromatic |
| N48 | C51 | doub | 1.33Å | 1.41Å | Aromatic |
| C49 | C50 | doub | 1.35Å | 1.44Å | Aromatic |
| N24 | C28 | sing | 1.35Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.44Å | Aromatic |
| C51 | C50 | sing | 1.40Å | 1.35Å | Aromatic |
| N37 | C35 | doub | 1.33Å | 1.41Å | Aromatic |
| N37 | C36 | sing | 1.36Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.40Å | 1.34Å | Aromatic |
| C28 | C36 | doub | 1.44Å | 1.35Å | Aromatic |
| C28 | C29 | sing | 1.41Å | 1.43Å | Aromatic |
| C27 | C29 | sing | 1.40Å | 1.31Å | Aromatic |
| C36 | C32 | sing | 1.41Å | 1.43Å | Aromatic |
| C29 | C30 | doub | 1.43Å | 1.49Å | Aromatic |
| C34 | C33 | doub | 1.35Å | 1.44Å | Aromatic |
| C32 | C33 | sing | 1.40Å | 1.30Å | Aromatic |
| C32 | C31 | doub | 1.43Å | 1.48Å | Aromatic |
| C30 | C31 | sing | 1.34Å | 1.37Å | Aromatic |
| C13 | H55 | sing | 0.94Å | 1.08Å | |
| C22 | H79 | sing | 0.94Å | 1.08Å | |
| C26 | H59 | sing | 0.94Å | 1.08Å | |
| C14 | H56 | sing | 0.94Å | 1.08Å | |
| C41 | H68 | sing | 0.94Å | 1.08Å | |
| C23 | H57 | sing | 0.94Å | 1.08Å | |
| C25 | H58 | sing | 0.94Å | 1.08Å | |
| C02 | H52 | sing | 0.94Å | 1.08Å | |
| C03 | H53 | sing | 0.94Å | 1.08Å | |
| C04 | H77 | sing | 0.93Å | 1.08Å | |
| C12 | H54 | sing | 0.94Å | 1.08Å | |
| C21 | H78 | sing | 0.94Å | 1.08Å | |
| C27 | H60 | sing | 0.94Å | 1.08Å | |
| C30 | H61 | sing | 0.94Å | 1.08Å | |
| C31 | H62 | sing | 0.94Å | 1.08Å | |
| C33 | H63 | sing | 0.94Å | 1.08Å | |
| C34 | H64 | sing | 0.94Å | 1.08Å | |
| C35 | H65 | sing | 0.94Å | 1.08Å | |
| C39 | H66 | sing | 0.93Å | 1.08Å | |
| C40 | H67 | sing | 0.94Å | 1.08Å | |
| C44 | H69 | sing | 0.94Å | 1.08Å | |
| C45 | H70 | sing | 0.94Å | 1.08Å | |
| C49 | H71 | sing | 0.94Å | 1.08Å | |
| C50 | H72 | sing | 0.94Å | 1.08Å | |
| C51 | H73 | sing | 0.93Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O76 | N74 | O75 | 118.5° | 121.8° |
| O76 | N74 | C01 | 120.4° | 119.2° |
| O75 | N74 | C01 | 121.1° | 119.0° |
| N74 | C01 | C02 | 120.3° | 119.2° |
| N74 | C01 | C04 | 121.0° | 119.2° |
| C02 | C01 | C04 | 118.7° | 121.6° |
| C01 | C02 | C03 | 121.0° | 119.5° |
| C01 | C02 | H52 | 119.5° | 120.9° |
| C01 | C04 | C05 | 121.1° | 120.2° |
| C01 | C04 | H77 | 119.4° | 121.3° |
| C02 | C03 | C06 | 120.7° | 120.9° |
| C03 | C02 | H52 | 119.5° | 119.6° |
| C02 | C03 | H53 | 119.7° | 119.6° |
| C04 | C05 | C06 | 119.2° | 118.7° |
| C04 | C05 | N07 | 120.9° | 120.1° |
| C05 | C04 | H77 | 119.4° | 118.6° |
| C03 | C06 | C05 | 119.3° | 119.1° |
| C03 | C06 | N10 | 119.6° | 119.9° |
| C06 | C03 | H53 | 119.7° | 119.5° |
| C06 | C05 | N07 | 119.9° | 121.3° |
| C05 | C06 | N10 | 121.1° | 121.0° |
| C05 | N07 | C08 | 120.4° | 117.0° |
| C06 | N10 | C09 | 119.5° | 117.2° |
| N07 | C08 | C09 | 119.1° | 121.8° |
| N07 | C08 | C11 | 120.2° | 118.4° |
| C40 | C41 | C42 | 121.5° | 119.6° |
| C41 | C40 | C39 | 121.2° | 118.8° |
| C40 | C41 | H68 | 119.2° | 120.3° |
| C41 | C40 | H67 | 119.4° | 120.7° |
| C41 | C42 | C44 | 124.0° | 122.5° |
| C41 | C42 | C43 | 119.5° | 117.7° |
| C42 | C41 | H68 | 119.3° | 120.0° |
| C40 | C39 | N38 | 117.8° | 124.5° |
| C40 | C39 | H66 | 121.1° | 117.7° |
| C39 | C40 | H67 | 119.4° | 120.5° |
| N10 | C09 | C08 | 120.0° | 121.6° |
| N10 | C09 | C18 | 118.8° | 118.8° |
| C09 | C08 | C11 | 120.7° | 119.7° |
| C08 | C09 | C18 | 121.2° | 119.6° |
| C08 | C11 | C12 | 124.3° | 121.5° |
| C08 | C11 | C16 | 116.9° | 120.4° |
| C09 | C18 | C23 | 123.6° | 121.7° |
| C09 | C18 | C17 | 117.1° | 120.4° |
| C44 | C42 | C43 | 116.5° | 119.8° |
| C42 | C44 | C45 | 121.0° | 121.1° |
| C42 | C44 | H69 | 119.5° | 119.2° |
| C42 | C43 | N38 | 118.9° | 123.2° |
| C42 | C43 | C47 | 122.6° | 118.9° |
| C39 | N38 | C43 | 121.1° | 116.2° |
| C39 | N38 | RU19 | 129.4° | 129.0° |
| N38 | C39 | H66 | 121.1° | 117.8° |
| C44 | C45 | C46 | 120.7° | 121.1° |
| C45 | C44 | H69 | 119.5° | 119.6° |
| C44 | C45 | H70 | 119.7° | 119.7° |
| C11 | C12 | C13 | 121.3° | 119.1° |
| C12 | C11 | C16 | 118.9° | 118.1° |
| C11 | C12 | H54 | 119.4° | 120.9° |
| C12 | C13 | C14 | 119.1° | 118.7° |
| C12 | C13 | H55 | 120.5° | 120.9° |
| C13 | C12 | H54 | 119.4° | 120.0° |
| C11 | C16 | C17 | 122.1° | 120.0° |
| C11 | C16 | N15 | 119.9° | 122.8° |
| C23 | C18 | C17 | 119.4° | 117.9° |
| C18 | C23 | C22 | 121.1° | 119.1° |
| C18 | C23 | H57 | 119.5° | 120.9° |
| C18 | C17 | C16 | 122.1° | 119.9° |
| C18 | C17 | N20 | 119.4° | 122.9° |
| C13 | C14 | N15 | 117.8° | 124.5° |
| C14 | C13 | H55 | 120.4° | 120.4° |
| C13 | C14 | H56 | 121.1° | 117.4° |
| C23 | C22 | C21 | 118.8° | 118.8° |
| C23 | C22 | H79 | 120.6° | 120.8° |
| C22 | C23 | H57 | 119.4° | 120.0° |
| N38 | C43 | C47 | 118.5° | 117.9° |
| C43 | N38 | RU19 | 109.5° | 114.6° |
| C43 | C47 | C46 | 122.6° | 119.2° |
| C43 | C47 | N48 | 119.4° | 117.9° |
| C45 | C46 | C47 | 116.6° | 119.8° |
| C45 | C46 | C49 | 124.0° | 122.5° |
| C46 | C45 | H70 | 119.7° | 119.3° |
| N38 | RU19 | N15 | 86.1° | 72.6° |
| N38 | RU19 | N20 | 92.3° | 119.6° |
| N38 | RU19 | N48 | 83.8° | 68.9° |
| N38 | RU19 | N24 | 90.2° | 119.2° |
| N38 | RU19 | N37 | 173.4° | 78.3° |
| C17 | C16 | N15 | 118.0° | 117.2° |
| C16 | C17 | N20 | 118.4° | 117.2° |
| C16 | N15 | C14 | 123.1° | 116.8° |
| C16 | N15 | RU19 | 109.0° | 98.9° |
| C17 | N20 | C21 | 123.3° | 116.9° |
| C17 | N20 | RU19 | 108.7° | 100.0° |
| C14 | N15 | RU19 | 127.6° | 129.6° |
| N15 | C14 | H56 | 121.1° | 118.2° |
| N15 | RU19 | N20 | 85.4° | 75.5° |
| N15 | RU19 | N48 | 90.9° | 98.7° |
| N15 | RU19 | N24 | 176.3° | 168.0° |
| N15 | RU19 | N37 | 98.4° | 119.2° |
| C22 | C21 | N20 | 117.9° | 124.3° |
| C21 | C22 | H79 | 120.6° | 120.4° |
| C22 | C21 | H78 | 121.1° | 117.6° |
| C46 | C47 | N48 | 118.0° | 122.9° |
| C47 | C46 | C49 | 119.3° | 117.7° |
| C47 | N48 | RU19 | 108.8° | 120.0° |
| C47 | N48 | C51 | 122.7° | 116.6° |
| C21 | N20 | RU19 | 127.7° | 127.8° |
| N20 | C21 | H78 | 121.0° | 118.1° |
| N20 | RU19 | N48 | 174.8° | 166.5° |
| N20 | RU19 | N24 | 94.2° | 98.6° |
| N20 | RU19 | N37 | 92.8° | 74.6° |
| C46 | C49 | C50 | 122.2° | 119.7° |
| C46 | C49 | H71 | 118.9° | 120.0° |
| N48 | RU19 | N24 | 89.2° | 84.7° |
| N48 | RU19 | N37 | 91.4° | 118.6° |
| RU19 | N48 | C51 | 128.4° | 123.2° |
| N24 | RU19 | N37 | 85.2° | 68.0° |
| RU19 | N24 | C25 | 130.1° | 123.3° |
| RU19 | N24 | C28 | 107.8° | 118.4° |
| RU19 | N37 | C35 | 128.1° | 128.6° |
| RU19 | N37 | C36 | 107.8° | 113.7° |
| N24 | C25 | C26 | 117.7° | 124.3° |
| C25 | N24 | C28 | 122.1° | 116.7° |
| N24 | C25 | H58 | 121.1° | 117.7° |
| C25 | C26 | C27 | 120.4° | 118.7° |
| C25 | C26 | H59 | 119.8° | 120.6° |
| C26 | C25 | H58 | 121.2° | 117.9° |
| N48 | C51 | C50 | 117.4° | 124.4° |
| N48 | C51 | H73 | 121.3° | 117.9° |
| C49 | C50 | C51 | 120.4° | 118.6° |
| C50 | C49 | H71 | 118.9° | 120.3° |
| C49 | C50 | H72 | 119.8° | 120.9° |
| N24 | C28 | C36 | 118.9° | 117.6° |
| N24 | C28 | C29 | 118.6° | 123.0° |
| C26 | C27 | C29 | 121.7° | 119.6° |
| C27 | C26 | H59 | 119.8° | 120.7° |
| C26 | C27 | H60 | 119.1° | 120.3° |
| C51 | C50 | H72 | 119.8° | 120.5° |
| C50 | C51 | H73 | 121.3° | 117.7° |
| C35 | N37 | C36 | 124.0° | 116.2° |
| N37 | C35 | C34 | 116.4° | 124.4° |
| N37 | C35 | H65 | 121.8° | 117.7° |
| N37 | C36 | C28 | 120.3° | 117.6° |
| N37 | C36 | C32 | 117.1° | 123.2° |
| C35 | C34 | C33 | 120.6° | 118.8° |
| C35 | C34 | H64 | 119.7° | 120.5° |
| C34 | C35 | H65 | 121.8° | 117.8° |
| C36 | C28 | C29 | 122.5° | 119.4° |
| C28 | C36 | C32 | 122.6° | 119.1° |
| C28 | C29 | C27 | 119.4° | 117.6° |
| C28 | C29 | C30 | 116.5° | 119.6° |
| C27 | C29 | C30 | 124.1° | 122.8° |
| C29 | C27 | H60 | 119.1° | 120.0° |
| C36 | C32 | C33 | 119.3° | 117.5° |
| C36 | C32 | C31 | 116.6° | 119.7° |
| C29 | C30 | C31 | 120.8° | 121.1° |
| C29 | C30 | H61 | 119.6° | 119.3° |
| C34 | C33 | C32 | 122.5° | 119.7° |
| C34 | C33 | H63 | 118.7° | 120.4° |
| C33 | C34 | H64 | 119.7° | 120.8° |
| C33 | C32 | C31 | 124.1° | 122.8° |
| C32 | C33 | H63 | 118.7° | 120.0° |
| C32 | C31 | C30 | 120.9° | 121.2° |
| C32 | C31 | H62 | 119.5° | 119.2° |
| C31 | C30 | H61 | 119.6° | 119.7° |
| C30 | C31 | H62 | 119.5° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O76 | N74 | O75 | C01 | 179.0° | 179.9° |
| O76 | N74 | C01 | C02 | 144.9° | 179.6° |
| O76 | N74 | C01 | C04 | 34.6° | 0.4° |
| O75 | N74 | C01 | C02 | 34.1° | 0.5° |
| O75 | N74 | C01 | C04 | 146.4° | 179.5° |
| N74 | C01 | C02 | C04 | 179.5° | 180.0° |
| N74 | C01 | C02 | C03 | 179.8° | 179.9° |
| N74 | C01 | C04 | C05 | 179.9° | 179.8° |
| N74 | C01 | C02 | H52 | 0.2° | 0.1° |
| N74 | C01 | C04 | H77 | 0.1° | 0.2° |
| C01 | C02 | C03 | H52 | 180.0° | 179.8° |
| C02 | C01 | C04 | C05 | 0.6° | 0.2° |
| C01 | C02 | C03 | C06 | 0.1° | 0.3° |
| C01 | C02 | C03 | H53 | 179.9° | 179.9° |
| C02 | C01 | C04 | H77 | 179.4° | 179.8° |
| C04 | C01 | C02 | C03 | 0.3° | 0.1° |
| C01 | C04 | C05 | H77 | 180.0° | 179.6° |
| C01 | C04 | C05 | C06 | 0.7° | 0.2° |
| C01 | C04 | C05 | N07 | 180.0° | 179.9° |
| C04 | C01 | C02 | H52 | 179.7° | 179.9° |
| C02 | C03 | C06 | H53 | 180.0° | 179.5° |
| C02 | C03 | C06 | C05 | 0.1° | 0.3° |
| C02 | C03 | C06 | N10 | 180.0° | 179.8° |
| C04 | C05 | C06 | C03 | 0.4° | 0.1° |
| C04 | C05 | C06 | N07 | 179.3° | 179.9° |
| C04 | C05 | C06 | N10 | 179.7° | 179.9° |
| C04 | C05 | N07 | C08 | 179.8° | 179.7° |
| C03 | C06 | C05 | N10 | 179.9° | 179.9° |
| C03 | C06 | C05 | N07 | 179.7° | 179.9° |
| C03 | C06 | N10 | C09 | 179.9° | 179.7° |
| C06 | C03 | C02 | H52 | 179.9° | 179.9° |
| C06 | C05 | N07 | C08 | 0.5° | 0.4° |
| C05 | C06 | N10 | C09 | 0.0° | 0.5° |
| C05 | C06 | C03 | H53 | 179.9° | 179.8° |
| C06 | C05 | C04 | H77 | 179.3° | 179.8° |
| N07 | C05 | C06 | N10 | 0.3° | 0.0° |
| C05 | N07 | C08 | C09 | 0.4° | 0.4° |
| C05 | N07 | C08 | C11 | 179.3° | 179.5° |
| N07 | C05 | C04 | H77 | 0.0° | 0.2° |
| C06 | N10 | C09 | C08 | 0.1° | 0.5° |
| C06 | N10 | C09 | C18 | 180.0° | 179.5° |
| N10 | C06 | C03 | H53 | 0.0° | 0.3° |
| N07 | C08 | C09 | N10 | 0.0° | 0.0° |
| N07 | C08 | C09 | C11 | 179.7° | 179.9° |
| N07 | C08 | C09 | C18 | 179.8° | 179.9° |
| N07 | C08 | C11 | C12 | 0.4° | 0.0° |
| N07 | C08 | C11 | C16 | 179.8° | 180.0° |
| C40 | C41 | C42 | H68 | 180.0° | 178.7° |
| C41 | C40 | C39 | H67 | 180.0° | 179.9° |
| C40 | C41 | C42 | C44 | 179.9° | 179.2° |
| C40 | C41 | C42 | C43 | 0.4° | 0.9° |
| C41 | C40 | C39 | N38 | 0.5° | 1.3° |
| C41 | C40 | C39 | H66 | 179.4° | 180.0° |
| C42 | C41 | C40 | C39 | 0.3° | 0.4° |
| C41 | C42 | C44 | C43 | 179.5° | 179.9° |
| C41 | C42 | C44 | C45 | 179.9° | 179.7° |
| C41 | C42 | C43 | N38 | 0.7° | 0.1° |
| C41 | C42 | C43 | C47 | 179.9° | 179.6° |
| C42 | C41 | C40 | H67 | 179.7° | 179.7° |
| C41 | C42 | C44 | H69 | 0.1° | 0.4° |
| C40 | C39 | N38 | H66 | 180.0° | 178.6° |
| C40 | C39 | N38 | C43 | 0.9° | 2.3° |
| C40 | C39 | N38 | RU19 | 179.2° | 172.1° |
| C39 | C40 | C41 | H68 | 179.7° | 179.1° |
| N10 | C09 | C08 | C18 | 179.8° | 179.9° |
| N10 | C09 | C08 | C11 | 179.7° | 179.9° |
| N10 | C09 | C18 | C23 | 0.0° | 0.0° |
| N10 | C09 | C18 | C17 | 180.0° | 180.0° |
| C09 | C08 | C11 | C12 | 179.9° | 179.9° |
| C09 | C08 | C11 | C16 | 0.5° | 0.1° |
| C08 | C09 | C18 | C23 | 179.8° | 179.9° |
| C08 | C09 | C18 | C17 | 0.2° | 0.1° |
| C11 | C08 | C09 | C18 | 0.5° | 0.0° |
| C08 | C11 | C12 | C16 | 179.4° | 180.0° |
| C08 | C11 | C12 | C13 | 179.7° | 180.0° |
| C08 | C11 | C16 | C17 | 0.2° | 0.1° |
| C08 | C11 | C16 | N15 | 179.7° | 178.8° |
| C08 | C11 | C12 | H54 | 0.3° | 0.4° |
| C09 | C18 | C23 | C17 | 180.0° | 180.0° |
| C09 | C18 | C23 | C22 | 179.9° | 180.0° |
| C09 | C18 | C17 | C16 | 0.1° | 0.1° |
| C09 | C18 | C17 | N20 | 179.3° | 179.0° |
| C09 | C18 | C23 | H57 | 0.2° | 0.2° |
| C42 | C44 | C45 | H69 | 180.0° | 179.2° |
| C44 | C42 | C43 | N38 | 179.7° | 179.8° |
| C44 | C42 | C43 | C47 | 0.3° | 0.5° |
| C42 | C44 | C45 | C46 | 0.3° | 0.1° |
| C44 | C42 | C41 | H68 | 0.1° | 0.5° |
| C42 | C44 | C45 | H70 | 179.7° | 179.1° |
| C42 | C43 | N38 | C39 | 1.0° | 1.7° |
| C43 | C42 | C44 | C45 | 0.4° | 0.5° |
| C42 | C43 | N38 | C47 | 179.4° | 179.7° |
| C42 | C43 | N38 | RU19 | 179.1° | 173.5° |
| C42 | C43 | C47 | C46 | 0.1° | 0.0° |
| C42 | C43 | C47 | N48 | 178.6° | 180.0° |
| C43 | C42 | C41 | H68 | 179.6° | 179.6° |
| C43 | C42 | C44 | H69 | 179.6° | 179.7° |
| C39 | N38 | C43 | RU19 | 179.9° | 175.2° |
| C39 | N38 | C43 | C47 | 179.6° | 178.1° |
| C39 | N38 | RU19 | N15 | 88.6° | 71.2° |
| C39 | N38 | RU19 | N20 | 3.4° | 9.9° |
| C39 | N38 | RU19 | N48 | 180.0° | 178.2° |
| C39 | N38 | RU19 | N24 | 90.9° | 111.1° |
| C39 | N38 | RU19 | N37 | 137.0° | 54.7° |
| N38 | C39 | C40 | H67 | 179.5° | 178.6° |
| C44 | C45 | C46 | H70 | 180.0° | 179.0° |
| C44 | C45 | C46 | C47 | 0.1° | 0.6° |
| C44 | C45 | C46 | C49 | 179.2° | 179.5° |
| C11 | C12 | C13 | H54 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C12 | C11 | C16 | C17 | 179.6° | 179.9° |
| C12 | C11 | C16 | N15 | 0.9° | 1.1° |
| C11 | C12 | C13 | H55 | 179.5° | 179.9° |
| C13 | C12 | C11 | C16 | 0.3° | 0.0° |
| C12 | C13 | C14 | H55 | 180.0° | 179.9° |
| C12 | C13 | C14 | N15 | 1.2° | 1.3° |
| C12 | C13 | C14 | H56 | 178.8° | 179.6° |
| C11 | C16 | C17 | C18 | 0.0° | 0.0° |
| C11 | C16 | C17 | N15 | 179.4° | 178.8° |
| C11 | C16 | C17 | N20 | 179.3° | 179.0° |
| C11 | C16 | N15 | C14 | 1.7° | 2.2° |
| C11 | C16 | N15 | RU19 | 176.0° | 141.1° |
| C16 | C11 | C12 | H54 | 179.7° | 179.7° |
| C18 | C23 | C22 | H57 | 180.0° | 179.8° |
| C23 | C18 | C17 | C16 | 179.9° | 179.9° |
| C23 | C18 | C17 | N20 | 0.7° | 1.0° |
| C18 | C23 | C22 | C21 | 0.2° | 0.3° |
| C18 | C23 | C22 | H79 | 179.8° | 179.9° |
| C17 | C18 | C23 | C22 | 0.1° | 0.1° |
| C18 | C17 | C16 | N20 | 179.2° | 179.0° |
| C18 | C17 | C16 | N15 | 179.4° | 178.8° |
| C18 | C17 | N20 | C21 | 1.4° | 2.1° |
| C18 | C17 | N20 | RU19 | 176.0° | 139.8° |
| C17 | C18 | C23 | H57 | 179.9° | 179.8° |
| C13 | C14 | N15 | C16 | 1.9° | 2.3° |
| C13 | C14 | N15 | H56 | 180.0° | 178.3° |
| C13 | C14 | N15 | RU19 | 175.1° | 127.6° |
| C14 | C13 | C12 | H54 | 179.5° | 179.6° |
| C23 | C22 | C21 | H79 | 180.0° | 179.6° |
| C23 | C22 | C21 | N20 | 0.8° | 1.5° |
| C23 | C22 | C21 | H78 | 179.2° | 179.6° |
| C43 | N38 | RU19 | N15 | 91.3° | 114.3° |
| N38 | C43 | C47 | C46 | 179.5° | 179.8° |
| N38 | C43 | C47 | N48 | 0.8° | 0.2° |
| C43 | N38 | RU19 | N20 | 176.6° | 175.7° |
| C43 | N38 | RU19 | N48 | 0.0° | 7.3° |
| C43 | N38 | RU19 | N24 | 89.2° | 63.4° |
| C43 | N38 | RU19 | N37 | 43.1° | 119.8° |
| C43 | N38 | C39 | H66 | 179.1° | 179.1° |
| C43 | C47 | C46 | C45 | 0.1° | 0.5° |
| C47 | C43 | N38 | RU19 | 0.4° | 6.7° |
| C43 | C47 | C46 | N48 | 178.7° | 180.0° |
| C43 | C47 | C46 | C49 | 179.4° | 179.6° |
| C43 | C47 | N48 | RU19 | 0.8° | 7.2° |
| C43 | C47 | N48 | C51 | 178.7° | 177.4° |
| C45 | C46 | C47 | C49 | 179.3° | 179.8° |
| C45 | C46 | C47 | N48 | 178.8° | 179.5° |
| C45 | C46 | C49 | C50 | 179.8° | 179.1° |
| C46 | C45 | C44 | H69 | 179.7° | 179.1° |
| C45 | C46 | C49 | H71 | 0.1° | 0.6° |
| N38 | RU19 | N15 | C16 | 87.1° | 172.2° |
| N38 | RU19 | N20 | C17 | 80.3° | 104.4° |
| N38 | RU19 | N15 | C14 | 86.9° | 51.6° |
| N38 | RU19 | N15 | N20 | 92.6° | 128.0° |
| N38 | RU19 | N15 | N48 | 83.7° | 64.5° |
| N38 | RU19 | N15 | N24 | 7.6° | 170.2° |
| N38 | RU19 | N15 | N37 | 175.3° | 65.3° |
| N38 | RU19 | N48 | C47 | 0.4° | 7.6° |
| N38 | RU19 | N20 | C21 | 93.9° | 119.7° |
| N38 | RU19 | N20 | N48 | 40.7° | 126.2° |
| N38 | RU19 | N20 | N24 | 90.4° | 130.8° |
| N38 | RU19 | N20 | N37 | 175.8° | 66.5° |
| N38 | RU19 | N48 | N24 | 90.3° | 124.1° |
| N38 | RU19 | N48 | N37 | 175.5° | 62.8° |
| N38 | RU19 | N24 | N37 | 175.3° | 61.6° |
| N38 | RU19 | N24 | C25 | 4.4° | 121.7° |
| N38 | RU19 | N48 | C51 | 178.2° | 177.4° |
| N38 | RU19 | N24 | C28 | 173.5° | 43.4° |
| N38 | RU19 | N37 | C35 | 133.1° | 54.4° |
| N38 | RU19 | N37 | C36 | 44.7° | 110.8° |
| RU19 | N38 | C39 | H66 | 0.8° | 6.5° |
| C17 | C16 | N15 | C14 | 178.8° | 179.0° |
| C17 | C16 | N15 | RU19 | 4.5° | 37.7° |
| C16 | C17 | N20 | C21 | 179.3° | 178.9° |
| C16 | C17 | N20 | RU19 | 4.8° | 39.1° |
| N15 | C16 | C17 | N20 | 0.2° | 0.2° |
| C16 | N15 | C14 | RU19 | 173.2° | 129.9° |
| C16 | N15 | RU19 | N20 | 5.5° | 44.2° |
| C16 | N15 | RU19 | N48 | 170.8° | 123.3° |
| C16 | N15 | RU19 | N24 | 79.5° | 17.6° |
| C16 | N15 | RU19 | N37 | 97.7° | 106.9° |
| C16 | N15 | C14 | H56 | 178.1° | 179.4° |
| C17 | N20 | RU19 | N15 | 5.6° | 44.5° |
| C17 | N20 | C21 | C22 | 1.5° | 2.4° |
| C17 | N20 | C21 | RU19 | 173.5° | 129.8° |
| C17 | N20 | RU19 | N48 | 39.7° | 21.8° |
| C17 | N20 | RU19 | N24 | 170.7° | 124.9° |
| C17 | N20 | RU19 | N37 | 103.8° | 170.9° |
| C17 | N20 | C21 | H78 | 178.5° | 179.6° |
| C14 | N15 | RU19 | N20 | 179.5° | 179.6° |
| C14 | N15 | RU19 | N48 | 3.1° | 12.9° |
| C14 | N15 | RU19 | N24 | 94.5° | 118.6° |
| C14 | N15 | RU19 | N37 | 88.4° | 116.9° |
| N15 | C14 | C13 | H55 | 178.8° | 178.8° |
| N15 | RU19 | N48 | C47 | 85.6° | 75.0° |
| N15 | RU19 | N20 | C21 | 179.9° | 179.6° |
| N15 | RU19 | N20 | N48 | 45.3° | 66.3° |
| N15 | RU19 | N20 | N24 | 176.3° | 169.4° |
| N15 | RU19 | N20 | N37 | 98.2° | 126.4° |
| N15 | RU19 | N48 | N24 | 176.3° | 168.4° |
| N15 | RU19 | N48 | N37 | 98.5° | 130.2° |
| N15 | RU19 | N24 | N37 | 177.2° | 129.1° |
| N15 | RU19 | N24 | C25 | 3.2° | 47.6° |
| N15 | RU19 | N48 | C51 | 92.2° | 109.9° |
| N15 | RU19 | N24 | C28 | 178.9° | 147.3° |
| N15 | RU19 | N37 | C35 | 0.8° | 7.9° |
| N15 | RU19 | N37 | C36 | 178.6° | 173.1° |
| RU19 | N15 | C14 | H56 | 4.9° | 50.6° |
| C22 | C21 | N20 | H78 | 180.0° | 178.0° |
| C22 | C21 | N20 | RU19 | 175.0° | 127.4° |
| C21 | C22 | C23 | H57 | 179.8° | 179.5° |
| C46 | C47 | N48 | RU19 | 179.5° | 172.8° |
| C46 | C47 | N48 | C51 | 2.5° | 2.5° |
| C47 | C46 | C49 | C50 | 0.6° | 1.0° |
| C47 | C46 | C45 | H70 | 179.9° | 179.6° |
| C47 | C46 | C49 | H71 | 179.4° | 179.5° |
| C47 | N48 | RU19 | N20 | 40.5° | 138.8° |
| N48 | C47 | C46 | C49 | 1.9° | 0.3° |
| C47 | N48 | RU19 | C51 | 177.8° | 175.0° |
| C47 | N48 | RU19 | N24 | 90.7° | 116.5° |
| C47 | N48 | RU19 | N37 | 175.9° | 55.2° |
| C47 | N48 | C51 | C50 | 1.7° | 3.5° |
| C47 | N48 | C51 | H73 | 178.3° | 179.2° |
| C21 | N20 | RU19 | N48 | 134.6° | 114.1° |
| C21 | N20 | RU19 | N24 | 3.5° | 11.0° |
| C21 | N20 | RU19 | N37 | 81.9° | 53.2° |
| N20 | C21 | C22 | H79 | 179.2° | 178.8° |
| N20 | RU19 | N48 | N24 | 131.2° | 104.6° |
| N20 | RU19 | N48 | N37 | 143.6° | 166.0° |
| N20 | RU19 | N24 | N37 | 92.5° | 69.4° |
| N20 | RU19 | N24 | C25 | 87.9° | 107.3° |
| N20 | RU19 | N48 | C51 | 137.3° | 46.1° |
| N20 | RU19 | N24 | C28 | 94.2° | 87.6° |
| N20 | RU19 | N37 | C35 | 86.6° | 71.1° |
| N20 | RU19 | N37 | C36 | 95.7° | 123.7° |
| RU19 | N20 | C21 | H78 | 5.0° | 50.6° |
| C46 | C49 | C50 | H71 | 180.0° | 178.5° |
| C46 | C49 | C50 | C51 | 0.2° | 0.2° |
| C49 | C46 | C45 | H70 | 0.8° | 0.5° |
| C46 | C49 | C50 | H72 | 179.8° | 179.6° |
| N48 | RU19 | N24 | N37 | 91.4° | 123.8° |
| N48 | RU19 | N24 | C25 | 88.2° | 59.5° |
| N48 | RU19 | N24 | C28 | 89.7° | 105.6° |
| RU19 | N48 | C51 | C50 | 179.3° | 171.7° |
| N48 | RU19 | N37 | C35 | 90.3° | 112.2° |
| N48 | RU19 | N37 | C36 | 87.4° | 52.9° |
| RU19 | N48 | C51 | H73 | 0.8° | 5.6° |
| RU19 | N24 | C25 | C28 | 177.6° | 165.4° |
| RU19 | N24 | C25 | C26 | 178.6° | 160.4° |
| N24 | RU19 | N48 | C51 | 91.5° | 58.5° |
| N24 | RU19 | N37 | C35 | 179.4° | 177.3° |
| N24 | RU19 | N37 | C36 | 1.6° | 17.5° |
| RU19 | N24 | C28 | C36 | 1.5° | 17.3° |
| RU19 | N24 | C28 | C29 | 178.9° | 162.5° |
| RU19 | N24 | C25 | H58 | 1.5° | 14.9° |
| N37 | RU19 | N24 | C25 | 179.6° | 176.7° |
| N37 | RU19 | N48 | C51 | 6.3° | 119.8° |
| N37 | RU19 | N24 | C28 | 1.7° | 18.2° |
| RU19 | N37 | C35 | C36 | 177.4° | 164.8° |
| RU19 | N37 | C35 | C34 | 178.5° | 160.5° |
| RU19 | N37 | C36 | C28 | 1.3° | 16.0° |
| RU19 | N37 | C36 | C32 | 178.9° | 164.1° |
| RU19 | N37 | C35 | H65 | 1.5° | 15.5° |
| N24 | C25 | C26 | H58 | 180.0° | 175.2° |
| N24 | C25 | C26 | C27 | 0.4° | 3.3° |
| C25 | N24 | C28 | C36 | 179.6° | 176.6° |
| C25 | N24 | C28 | C29 | 0.8° | 3.6° |
| N24 | C25 | C26 | H59 | 179.6° | 177.1° |
| C26 | C25 | N24 | C28 | 0.9° | 5.0° |
| C25 | C26 | C27 | H59 | 180.0° | 179.6° |
| C25 | C26 | C27 | C29 | 0.1° | 0.0° |
| C25 | C26 | C27 | H60 | 179.9° | 178.1° |
| N48 | C51 | C50 | C49 | 0.3° | 2.2° |
| N48 | C51 | C50 | H73 | 180.0° | 177.3° |
| N48 | C51 | C50 | H72 | 179.7° | 178.0° |
| C49 | C50 | C51 | H72 | 180.0° | 179.9° |
| C49 | C50 | C51 | H73 | 179.7° | 179.5° |
| N24 | C28 | C36 | N37 | 0.2° | 0.3° |
| N24 | C28 | C36 | C29 | 179.5° | 179.8° |
| N24 | C28 | C29 | C27 | 0.3° | 0.6° |
| N24 | C28 | C36 | C32 | 179.6° | 179.9° |
| N24 | C28 | C29 | C30 | 179.3° | 179.2° |
| C28 | N24 | C25 | H58 | 179.1° | 179.8° |
| C26 | C27 | C29 | C28 | 0.2° | 1.2° |
| C26 | C27 | C29 | H60 | 180.0° | 178.1° |
| C26 | C27 | C29 | C30 | 179.7° | 178.9° |
| C27 | C26 | C25 | H58 | 179.6° | 178.5° |
| C51 | C50 | C49 | H71 | 179.8° | 178.7° |
| N37 | C35 | C34 | H65 | 180.0° | 176.0° |
| C35 | N37 | C36 | C28 | 179.1° | 176.9° |
| C35 | N37 | C36 | C32 | 1.0° | 3.0° |
| N37 | C35 | C34 | C33 | 0.4° | 2.9° |
| N37 | C35 | C34 | H64 | 179.6° | 177.5° |
| C36 | N37 | C35 | C34 | 1.2° | 4.3° |
| N37 | C36 | C28 | C32 | 179.8° | 179.9° |
| N37 | C36 | C28 | C29 | 179.7° | 179.9° |
| N37 | C36 | C32 | C33 | 0.2° | 0.3° |
| N37 | C36 | C32 | C31 | 179.3° | 179.4° |
| C36 | N37 | C35 | H65 | 178.8° | 179.6° |
| C35 | C34 | C33 | H64 | 180.0° | 179.5° |
| C35 | C34 | C33 | C32 | 0.4° | 0.0° |
| C35 | C34 | C33 | H63 | 179.6° | 178.3° |
| C36 | C28 | C29 | C27 | 179.8° | 179.6° |
| C36 | C28 | C29 | C30 | 0.2° | 0.6° |
| C28 | C36 | C32 | C33 | 180.0° | 179.5° |
| C28 | C36 | C32 | C31 | 0.5° | 0.7° |
| C28 | C29 | C27 | C30 | 179.5° | 179.8° |
| C29 | C28 | C36 | C32 | 0.1° | 0.0° |
| C28 | C29 | C30 | C31 | 0.1° | 0.5° |
| C28 | C29 | C27 | H60 | 179.8° | 179.3° |
| C28 | C29 | C30 | H61 | 179.9° | 179.6° |
| C27 | C29 | C30 | C31 | 179.6° | 179.6° |
| C29 | C27 | C26 | H59 | 179.9° | 179.6° |
| C27 | C29 | C30 | H61 | 0.4° | 0.6° |
| C36 | C32 | C33 | C34 | 0.5° | 1.2° |
| C36 | C32 | C33 | C31 | 179.4° | 179.8° |
| C36 | C32 | C31 | C30 | 0.6° | 0.8° |
| C36 | C32 | C31 | H62 | 179.4° | 179.5° |
| C36 | C32 | C33 | H63 | 179.5° | 179.5° |
| C29 | C30 | C31 | C32 | 0.3° | 0.1° |
| C29 | C30 | C31 | H61 | 180.0° | 179.0° |
| C30 | C29 | C27 | H60 | 0.3° | 0.8° |
| C29 | C30 | C31 | H62 | 179.7° | 178.9° |
| C34 | C33 | C32 | H63 | 180.0° | 178.3° |
| C34 | C33 | C32 | C31 | 179.9° | 179.0° |
| C33 | C34 | C35 | H65 | 179.6° | 179.0° |
| C33 | C32 | C31 | C30 | 179.9° | 179.5° |
| C33 | C32 | C31 | H62 | 0.0° | 0.7° |
| C32 | C33 | C34 | H64 | 179.6° | 179.5° |
| C32 | C31 | C30 | H62 | 180.0° | 178.7° |
| C32 | C31 | C30 | H61 | 179.6° | 178.9° |
| C31 | C32 | C33 | H63 | 0.1° | 0.7° |
| H55 | C13 | C14 | H56 | 1.2° | 0.6° |
| H55 | C13 | C12 | H54 | 0.5° | 0.2° |
| H79 | C22 | C23 | H57 | 0.2° | 0.1° |
| H79 | C22 | C21 | H78 | 0.8° | 0.8° |
| H59 | C26 | C25 | H58 | 0.4° | 1.9° |
| H59 | C26 | C27 | H60 | 0.1° | 1.5° |
| H68 | C41 | C40 | H67 | 0.3° | 1.0° |
| H52 | C02 | C03 | H53 | 0.0° | 0.4° |
| H61 | C30 | C31 | H62 | 0.3° | 0.1° |
| H63 | C33 | C34 | H64 | 0.4° | 1.2° |
| H64 | C34 | C35 | H65 | 0.4° | 1.5° |
| H66 | C39 | C40 | H67 | 0.6° | 0.0° |
| H69 | C44 | C45 | H70 | 0.3° | 0.1° |
| H71 | C49 | C50 | H72 | 0.2° | 1.1° |
| H72 | C50 | C51 | H73 | 0.3° | 0.7° |
