C56
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | doub | 1.22Å | 1.22Å | |
| C15 | C2 | sing | 1.47Å | 1.52Å | |
| C15 | N17 | sing | 1.35Å | 1.34Å | |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | O13 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | N10 | sing | 1.39Å | 1.41Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| N10 | C12 | sing | 1.47Å | 1.45Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| C6 | N7 | sing | 1.48Å | 1.39Å | |
| C6 | C1 | sing | 1.37Å | 1.38Å | Aromatic |
| N7 | O9 | sing | 1.22Å | 1.22Å | |
| N7 | O8 | doub | 1.22Å | 1.39Å | |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| C05 | C06 | sing | 1.54Å | 1.57Å | |
| C05 | N09 | sing | 1.47Å | 1.51Å | |
| C05 | C18 | sing | 1.53Å | 1.60Å | |
| C06 | C07 | sing | 1.55Å | 1.53Å | |
| C07 | C08 | sing | 1.55Å | 1.53Å | |
| C08 | N09 | sing | 1.48Å | 1.51Å | |
| N09 | C10 | sing | 1.47Å | 1.50Å | |
| C10 | C13 | sing | 1.53Å | 1.53Å | |
| N17 | H17 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C15 | C2 | 117.9° | 120.0° |
| O16 | C15 | N17 | 119.7° | 120.1° |
| C2 | C15 | N17 | 122.4° | 120.0° |
| C15 | C2 | C3 | 125.5° | 120.1° |
| C15 | C2 | C1 | 116.5° | 120.1° |
| C15 | N17 | C18 | 121.2° | 120.0° |
| C15 | N17 | H17 | 119.4° | 120.0° |
| C3 | C2 | C1 | 118.0° | 119.8° |
| C2 | C3 | O13 | 123.2° | 120.2° |
| C2 | C3 | C4 | 120.9° | 119.6° |
| C2 | C1 | C6 | 120.8° | 120.1° |
| C2 | C1 | H1 | 119.6° | 120.0° |
| O13 | C3 | C4 | 115.9° | 120.2° |
| C3 | O13 | C14 | 117.1° | 117.0° |
| C3 | C4 | C5 | 120.7° | 119.9° |
| C3 | C4 | H4 | 119.6° | 120.0° |
| O13 | C14 | H141 | 109.5° | 109.4° |
| O13 | C14 | H142 | 109.5° | 109.5° |
| O13 | C14 | H143 | 109.5° | 109.4° |
| C4 | C5 | N10 | 117.2° | 119.9° |
| C4 | C5 | C6 | 118.1° | 120.2° |
| C5 | C4 | H4 | 119.6° | 120.0° |
| N10 | C5 | C6 | 124.6° | 119.9° |
| C5 | N10 | C12 | 123.6° | 111.0° |
| C5 | N10 | C11 | 122.9° | 111.0° |
| C5 | C6 | N7 | 123.4° | 119.8° |
| C5 | C6 | C1 | 121.3° | 120.4° |
| C12 | N10 | C11 | 113.4° | 111.0° |
| N10 | C12 | H121 | 109.5° | 109.5° |
| N10 | C12 | H122 | 109.5° | 109.5° |
| N10 | C12 | H123 | 109.5° | 109.4° |
| N10 | C11 | H111 | 109.5° | 109.5° |
| N10 | C11 | H112 | 109.5° | 109.5° |
| N10 | C11 | H113 | 109.5° | 109.5° |
| N7 | C6 | C1 | 115.3° | 119.8° |
| C6 | N7 | O9 | 119.8° | 120.0° |
| C6 | N7 | O8 | 116.7° | 120.0° |
| C6 | C1 | H1 | 119.6° | 119.9° |
| O9 | N7 | O8 | 123.4° | 120.0° |
| N17 | C18 | C05 | 118.5° | 109.5° |
| C18 | N17 | H17 | 119.4° | 120.0° |
| N17 | C18 | H181 | 107.2° | 109.4° |
| N17 | C18 | H182 | 107.2° | 109.4° |
| C06 | C05 | N09 | 105.7° | 107.2° |
| C06 | C05 | C18 | 108.7° | 109.9° |
| C05 | C06 | C07 | 108.8° | 103.0° |
| C06 | C05 | H05 | 109.9° | 109.9° |
| C05 | C06 | H061 | 109.7° | 110.7° |
| C05 | C06 | H062 | 109.7° | 110.7° |
| N09 | C05 | C18 | 112.2° | 109.9° |
| C05 | N09 | C08 | 109.2° | 108.6° |
| C05 | N09 | C10 | 124.4° | 111.0° |
| N09 | C05 | H05 | 110.7° | 109.9° |
| C05 | C18 | H181 | 107.2° | 109.5° |
| C05 | C18 | H182 | 107.2° | 109.6° |
| C18 | C05 | H05 | 109.5° | 110.0° |
| C06 | C07 | C08 | 105.6° | 101.6° |
| C07 | C06 | H061 | 109.6° | 110.7° |
| C07 | C06 | H062 | 109.6° | 110.7° |
| C06 | C07 | H071 | 110.4° | 111.0° |
| C06 | C07 | H072 | 110.4° | 111.0° |
| C07 | C08 | N09 | 109.7° | 104.8° |
| C08 | C07 | H071 | 110.5° | 111.0° |
| C08 | C07 | H072 | 110.4° | 111.0° |
| C07 | C08 | H081 | 109.4° | 110.3° |
| C07 | C08 | H082 | 109.4° | 110.4° |
| C08 | N09 | C10 | 109.9° | 111.0° |
| N09 | C08 | H081 | 109.4° | 110.4° |
| N09 | C08 | H082 | 109.4° | 110.4° |
| N09 | C10 | C13 | 114.4° | 109.5° |
| N09 | C10 | H101 | 108.2° | 109.5° |
| N09 | C10 | H102 | 108.2° | 109.5° |
| C13 | C10 | H101 | 108.2° | 109.5° |
| C13 | C10 | H102 | 108.2° | 109.4° |
| C10 | C13 | H131 | 109.5° | 109.4° |
| C10 | C13 | H132 | 109.5° | 109.5° |
| C10 | C13 | H133 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H061 | C06 | H062 | 109.5° | 110.8° |
| H071 | C07 | H072 | 109.5° | 110.9° |
| H081 | C08 | H082 | 109.5° | 110.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | C2 | N17 | 179.4° | 179.8° |
| O16 | C15 | C2 | C3 | 172.0° | 0.0° |
| O16 | C15 | C2 | C1 | 8.0° | 179.8° |
| O16 | C15 | N17 | C18 | 0.6° | 0.0° |
| O16 | C15 | N17 | H17 | 179.4° | 180.0° |
| C15 | C2 | C3 | C1 | 180.0° | 179.7° |
| C15 | C2 | C3 | O13 | 0.1° | 0.0° |
| C15 | C2 | C3 | C4 | 179.9° | 180.0° |
| C15 | C2 | C1 | C6 | 179.9° | 179.8° |
| C2 | C15 | N17 | C18 | 179.9° | 179.7° |
| C2 | C15 | N17 | H17 | 0.1° | 0.2° |
| C15 | C2 | C1 | H1 | 0.1° | 0.0° |
| N17 | C15 | C2 | C3 | 8.6° | 179.8° |
| N17 | C15 | C2 | C1 | 171.4° | 0.0° |
| C15 | N17 | C18 | H17 | 180.0° | 180.0° |
| C15 | N17 | C18 | C05 | 103.5° | 175.1° |
| C15 | N17 | C18 | H181 | 135.2° | 64.9° |
| C15 | N17 | C18 | H182 | 17.8° | 55.0° |
| C2 | C3 | O13 | C4 | 179.9° | 180.0° |
| C2 | C3 | O13 | C14 | 164.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.5° |
| C3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C2 | C3 | C4 | H4 | 179.2° | 179.9° |
| C1 | C2 | C3 | O13 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 0.1° | 0.2° |
| C2 | C1 | C6 | C5 | 0.4° | 0.5° |
| C2 | C1 | C6 | N7 | 179.7° | 179.8° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| O13 | C3 | C4 | C5 | 179.3° | 180.0° |
| O13 | C3 | C4 | H4 | 0.8° | 0.1° |
| C3 | O13 | C14 | H141 | 180.0° | 60.0° |
| C3 | O13 | C14 | H142 | 60.0° | 180.0° |
| C3 | O13 | C14 | H143 | 60.0° | 60.0° |
| C4 | C3 | O13 | C14 | 16.1° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | N10 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.1° |
| O13 | C14 | H141 | H142 | 120.0° | 120.0° |
| O13 | C14 | H141 | H143 | 120.0° | 120.0° |
| O13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C4 | C5 | N10 | C6 | 177.6° | 179.9° |
| C4 | C5 | N10 | C12 | 167.5° | 60.0° |
| C4 | C5 | N10 | C11 | 12.9° | 63.9° |
| C4 | C5 | C6 | N7 | 179.7° | 180.0° |
| C4 | C5 | C6 | C1 | 1.0° | 0.2° |
| C5 | N10 | C12 | C11 | 179.7° | 124.0° |
| N10 | C5 | C6 | N7 | 2.1° | 0.0° |
| N10 | C5 | C6 | C1 | 178.6° | 179.8° |
| N10 | C5 | C4 | H4 | 1.0° | 0.1° |
| C5 | N10 | C12 | H121 | 180.0° | 60.0° |
| C5 | N10 | C12 | H122 | 60.0° | 180.0° |
| C5 | N10 | C12 | H123 | 60.0° | 60.0° |
| C5 | N10 | C11 | H111 | 180.0° | 60.0° |
| C5 | N10 | C11 | H112 | 60.0° | 180.0° |
| C5 | N10 | C11 | H113 | 60.0° | 60.0° |
| C6 | C5 | N10 | C12 | 10.1° | 120.0° |
| C6 | C5 | N10 | C11 | 169.5° | 116.0° |
| C5 | C6 | N7 | C1 | 179.3° | 179.8° |
| C5 | C6 | N7 | O9 | 99.4° | 180.0° |
| C5 | C6 | N7 | O8 | 83.5° | 0.1° |
| C5 | C6 | C1 | H1 | 179.6° | 179.8° |
| C6 | C5 | C4 | H4 | 178.8° | 180.0° |
| N10 | C12 | H121 | H122 | 120.0° | 120.0° |
| N10 | C12 | H121 | H123 | 120.0° | 120.0° |
| N10 | C12 | H122 | H123 | 120.0° | 120.0° |
| C12 | N10 | C11 | H111 | 0.3° | 176.0° |
| C12 | N10 | C11 | H112 | 120.4° | 56.0° |
| C12 | N10 | C11 | H113 | 119.7° | 64.0° |
| C11 | N10 | C12 | H121 | 0.3° | 63.9° |
| C11 | N10 | C12 | H122 | 119.7° | 56.1° |
| C11 | N10 | C12 | H123 | 120.3° | 176.0° |
| N10 | C11 | H111 | H112 | 120.0° | 120.0° |
| N10 | C11 | H111 | H113 | 120.0° | 120.0° |
| N10 | C11 | H112 | H113 | 120.0° | 120.0° |
| C6 | N7 | O9 | O8 | 176.9° | 179.9° |
| N7 | C6 | C1 | H1 | 0.3° | 0.0° |
| C1 | C6 | N7 | O9 | 81.2° | 0.2° |
| C1 | C6 | N7 | O8 | 95.9° | 179.7° |
| N17 | C18 | C05 | C06 | 172.4° | 63.4° |
| N17 | C18 | C05 | N09 | 71.0° | 178.9° |
| N17 | C18 | C05 | H181 | 121.3° | 120.0° |
| N17 | C18 | C05 | H182 | 121.3° | 120.0° |
| N17 | C18 | H181 | H182 | 115.9° | 119.9° |
| N17 | C18 | C05 | H05 | 52.3° | 57.8° |
| C06 | C05 | N09 | C18 | 118.4° | 119.4° |
| C06 | C05 | N09 | H05 | 119.0° | 119.4° |
| C06 | C05 | C18 | H05 | 120.1° | 121.1° |
| C05 | C06 | C07 | H061 | 119.9° | 118.4° |
| C05 | C06 | C07 | H062 | 119.9° | 118.4° |
| C05 | C06 | C07 | C08 | 7.8° | 35.7° |
| C06 | C05 | N09 | C08 | 8.9° | 1.0° |
| C06 | C05 | N09 | C10 | 141.3° | 123.3° |
| C06 | C05 | C18 | H181 | 51.2° | 56.6° |
| C06 | C05 | C18 | H182 | 66.3° | 176.6° |
| C05 | C06 | H061 | H062 | 120.3° | 123.2° |
| C05 | C06 | C07 | H071 | 127.3° | 82.4° |
| C05 | C06 | C07 | H072 | 111.6° | 153.7° |
| N09 | C05 | C18 | H05 | 123.3° | 121.1° |
| N09 | C05 | C06 | C07 | 10.4° | 22.3° |
| C05 | N09 | C08 | C07 | 4.2° | 24.1° |
| C05 | N09 | C08 | C10 | 139.6° | 122.3° |
| C05 | N09 | C10 | C13 | 126.8° | 174.8° |
| N09 | C05 | C18 | H181 | 167.7° | 61.2° |
| N09 | C05 | C18 | H182 | 50.3° | 58.9° |
| N09 | C05 | C06 | H061 | 109.5° | 140.7° |
| N09 | C05 | C06 | H062 | 130.3° | 96.1° |
| C05 | N09 | C08 | H081 | 124.3° | 142.9° |
| C05 | N09 | C08 | H082 | 115.8° | 94.8° |
| C05 | N09 | C10 | H101 | 6.1° | 65.2° |
| C05 | N09 | C10 | H102 | 112.5° | 54.8° |
| C18 | C05 | C06 | C07 | 110.3° | 141.7° |
| C18 | C05 | N09 | C08 | 109.5° | 118.4° |
| C18 | C05 | N09 | C10 | 22.9° | 3.8° |
| C05 | C18 | N17 | H17 | 76.5° | 4.9° |
| C05 | C18 | H181 | H182 | 115.9° | 120.1° |
| C18 | C05 | C06 | H061 | 129.8° | 99.9° |
| C18 | C05 | C06 | H062 | 9.6° | 23.3° |
| C06 | C07 | C08 | H071 | 119.4° | 118.1° |
| C06 | C07 | C08 | H072 | 119.4° | 118.1° |
| C06 | C07 | C08 | N09 | 2.3° | 37.1° |
| C07 | C06 | C05 | H05 | 129.9° | 97.1° |
| C07 | C06 | H061 | H062 | 120.3° | 123.2° |
| C06 | C07 | H071 | H072 | 121.7° | 123.9° |
| C06 | C07 | C08 | H081 | 117.7° | 155.9° |
| C06 | C07 | C08 | H082 | 122.4° | 81.8° |
| C07 | C08 | N09 | H081 | 120.0° | 118.8° |
| C07 | C08 | N09 | H082 | 120.0° | 118.9° |
| C07 | C08 | N09 | C10 | 143.9° | 146.4° |
| C08 | C07 | C06 | H061 | 112.1° | 154.1° |
| C08 | C07 | C06 | H062 | 127.8° | 82.7° |
| C08 | C07 | H071 | H072 | 121.8° | 123.8° |
| C07 | C08 | H081 | H082 | 119.9° | 122.3° |
| C08 | N09 | C10 | C13 | 5.4° | 64.4° |
| C08 | N09 | C05 | H05 | 127.8° | 120.4° |
| N09 | C08 | C07 | H071 | 121.7° | 81.0° |
| N09 | C08 | C07 | H072 | 117.0° | 155.2° |
| N09 | C08 | H081 | H082 | 119.9° | 122.3° |
| C08 | N09 | C10 | H101 | 126.1° | 55.6° |
| C08 | N09 | C10 | H102 | 115.3° | 175.7° |
| N09 | C10 | C13 | H101 | 120.7° | 120.1° |
| N09 | C10 | C13 | H102 | 120.7° | 120.0° |
| C10 | N09 | C05 | H05 | 99.7° | 117.3° |
| C10 | N09 | C08 | H081 | 96.1° | 94.8° |
| C10 | N09 | C08 | H082 | 23.9° | 27.5° |
| N09 | C10 | H101 | H102 | 117.8° | 120.0° |
| N09 | C10 | C13 | H131 | 180.0° | 60.0° |
| N09 | C10 | C13 | H132 | 60.0° | 180.0° |
| N09 | C10 | C13 | H133 | 60.0° | 60.0° |
| C13 | C10 | H101 | H102 | 117.8° | 119.9° |
| C10 | C13 | H131 | H132 | 120.0° | 120.0° |
| C10 | C13 | H131 | H133 | 120.0° | 120.0° |
| C10 | C13 | H132 | H133 | 120.0° | 120.0° |
| H17 | N17 | C18 | H181 | 44.8° | 115.1° |
| H17 | N17 | C18 | H182 | 162.2° | 125.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.1° |
| H121 | C12 | H122 | H123 | 120.0° | 120.1° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H181 | C18 | C05 | H05 | 69.0° | 177.7° |
| H182 | C18 | C05 | H05 | 173.6° | 62.2° |
| H05 | C05 | C06 | H061 | 10.0° | 21.3° |
| H05 | C05 | C06 | H062 | 110.2° | 144.5° |
| H061 | C06 | C07 | H071 | 7.3° | 36.0° |
| H061 | C06 | C07 | H072 | 128.5° | 87.9° |
| H062 | C06 | C07 | H071 | 112.8° | 159.2° |
| H062 | C06 | C07 | H072 | 8.4° | 35.4° |
| H071 | C07 | C08 | H081 | 1.7° | 37.8° |
| H071 | C07 | C08 | H082 | 118.2° | 160.1° |
| H072 | C07 | C08 | H081 | 122.9° | 86.0° |
| H072 | C07 | C08 | H082 | 3.0° | 36.3° |
| H101 | C10 | C13 | H131 | 59.3° | 60.1° |
| H101 | C10 | C13 | H132 | 179.3° | 59.9° |
| H101 | C10 | C13 | H133 | 60.7° | 179.9° |
| H102 | C10 | C13 | H131 | 59.3° | 180.0° |
| H102 | C10 | C13 | H132 | 60.7° | 60.0° |
| H102 | C10 | C13 | H133 | 179.3° | 60.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
