PL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C9 | sing | 1.36Å | 1.27Å | |
| O16 | H16 | sing | 0.98Å | 0.95Å | |
| C9 | O17 | doub | 1.22Å | 1.27Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | H101 | sing | 1.10Å | 1.11Å | |
| C10 | H102 | sing | 1.10Å | 1.11Å | |
| C11 | C8 | sing | 1.51Å | 1.49Å | |
| C11 | H111 | sing | 1.10Å | 1.11Å | |
| C11 | H112 | sing | 1.10Å | 1.12Å | |
| C8 | C12 | sing | 1.50Å | 1.46Å | |
| C8 | N1 | doub | 1.29Å | 1.26Å | |
| C12 | O19 | doub | 1.21Å | 1.22Å | |
| C12 | O18 | sing | 1.34Å | 1.25Å | |
| O18 | H18 | sing | 0.98Å | 0.95Å | |
| N1 | O13 | sing | 1.40Å | 1.36Å | |
| O13 | C5 | sing | 1.42Å | 1.42Å | |
| C5 | C3 | sing | 1.52Å | 1.55Å | |
| C5 | H5C1 | sing | 1.09Å | 1.12Å | |
| C5 | H5C2 | sing | 1.10Å | 1.11Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | N2 | sing | 1.44Å | 1.47Å | |
| C3 | H3 | sing | 1.10Å | 1.12Å | |
| C4 | O14 | doub | 1.22Å | 1.25Å | |
| C4 | OXT | sing | 1.36Å | 1.44Å | |
| N2 | C6 | sing | 1.39Å | 1.33Å | |
| N2 | H2 | sing | 1.02Å | 1.02Å | |
| C6 | O15 | doub | 1.23Å | 1.24Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O34 | sing | 1.41Å | 1.44Å | |
| C7 | H7C1 | sing | 1.09Å | 1.12Å | |
| C7 | H7C2 | sing | 1.09Å | 1.12Å | |
| O34 | C35 | sing | 1.37Å | 1.41Å | |
| C35 | C40 | sing | 1.39Å | 1.43Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.42Å | Aromatic |
| C40 | C39 | doub | 1.40Å | 1.41Å | Aromatic |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | C38 | sing | 1.40Å | 1.40Å | Aromatic |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | C36 | sing | 1.40Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| OXT | HOT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | O16 | H16 | 126.9° | 115.0° |
| O16 | C9 | O17 | 126.8° | 123.0° |
| O16 | C9 | C10 | 118.8° | 111.3° |
| O17 | C9 | C10 | 114.3° | 125.8° |
| C9 | C10 | C11 | 106.0° | 113.0° |
| C9 | C10 | H101 | 113.5° | 108.4° |
| C9 | C10 | H102 | 113.5° | 106.8° |
| C11 | C10 | H101 | 113.5° | 111.2° |
| C11 | C10 | H102 | 113.5° | 108.4° |
| C10 | C11 | C8 | 103.0° | 111.0° |
| C10 | C11 | H111 | 114.7° | 111.9° |
| C10 | C11 | H112 | 114.6° | 109.5° |
| H101 | C10 | H102 | 97.0° | 108.9° |
| C8 | C11 | H111 | 114.7° | 109.8° |
| C8 | C11 | H112 | 114.7° | 108.1° |
| C11 | C8 | C12 | 121.4° | 116.9° |
| C11 | C8 | N1 | 123.7° | 127.2° |
| H111 | C11 | H112 | 95.8° | 106.4° |
| C12 | C8 | N1 | 114.9° | 115.9° |
| C8 | C12 | O19 | 117.0° | 122.4° |
| C8 | C12 | O18 | 120.0° | 109.3° |
| C8 | N1 | O13 | 134.3° | 111.0° |
| O19 | C12 | O18 | 123.0° | 128.3° |
| C12 | O18 | H18 | 120.0° | 112.3° |
| N1 | O13 | C5 | 112.9° | 108.2° |
| O13 | C5 | C3 | 108.7° | 109.2° |
| O13 | C5 | H5C1 | 112.5° | 107.9° |
| O13 | C5 | H5C2 | 112.5° | 108.6° |
| C3 | C5 | H5C1 | 112.5° | 111.1° |
| C3 | C5 | H5C2 | 112.5° | 111.6° |
| C5 | C3 | C4 | 113.6° | 110.6° |
| C5 | C3 | N2 | 110.7° | 111.6° |
| C5 | C3 | H3 | 106.7° | 111.8° |
| H5C1 | C5 | H5C2 | 98.0° | 108.4° |
| C4 | C3 | N2 | 112.0° | 107.3° |
| C4 | C3 | H3 | 105.1° | 110.0° |
| C3 | C4 | O14 | 125.4° | 125.1° |
| C3 | C4 | OXT | 115.2° | 111.9° |
| N2 | C3 | H3 | 108.4° | 105.3° |
| C3 | N2 | C6 | 124.0° | 123.2° |
| C3 | N2 | H2 | 123.2° | 118.4° |
| O14 | C4 | OXT | 119.4° | 122.9° |
| C4 | OXT | HOT | 115.2° | 115.2° |
| C6 | N2 | H2 | 112.8° | 118.4° |
| N2 | C6 | O15 | 122.5° | 125.5° |
| N2 | C6 | C7 | 114.2° | 111.8° |
| O15 | C6 | C7 | 123.3° | 122.7° |
| C6 | C7 | O34 | 117.5° | 110.7° |
| C6 | C7 | H7C1 | 109.3° | 109.3° |
| C6 | C7 | H7C2 | 109.3° | 110.1° |
| O34 | C7 | H7C1 | 109.3° | 108.5° |
| O34 | C7 | H7C2 | 109.3° | 109.2° |
| C7 | O34 | C35 | 118.4° | 117.2° |
| H7C1 | C7 | H7C2 | 100.8° | 109.0° |
| O34 | C35 | C40 | 120.1° | 119.5° |
| O34 | C35 | C36 | 120.6° | 119.5° |
| C40 | C35 | C36 | 119.2° | 121.0° |
| C35 | C40 | C39 | 117.9° | 119.5° |
| C35 | C40 | H40 | 121.7° | 120.9° |
| C35 | C36 | C37 | 122.1° | 119.5° |
| C35 | C36 | H36 | 120.2° | 120.9° |
| C39 | C40 | H40 | 120.4° | 119.7° |
| C40 | C39 | C38 | 121.5° | 120.0° |
| C40 | C39 | H39 | 119.4° | 120.0° |
| C38 | C39 | H39 | 119.1° | 120.0° |
| C39 | C38 | C37 | 120.8° | 120.0° |
| C39 | C38 | H38 | 119.7° | 119.9° |
| C37 | C38 | H38 | 119.5° | 120.0° |
| C38 | C37 | C36 | 118.5° | 120.0° |
| C38 | C37 | H37 | 121.2° | 120.0° |
| C36 | C37 | H37 | 120.2° | 120.0° |
| C37 | C36 | H36 | 117.7° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C9 | O17 | C10 | 178.8° | 179.8° |
| O16 | C9 | C10 | C11 | 54.5° | 176.2° |
| O16 | C9 | C10 | H101 | 70.8° | 60.1° |
| O16 | C9 | C10 | H102 | 179.7° | 57.1° |
| H16 | O16 | C9 | O17 | 180.0° | 0.1° |
| H16 | O16 | C9 | C10 | 1.3° | 180.0° |
| O17 | C9 | C10 | C11 | 124.4° | 3.6° |
| O17 | C9 | C10 | H101 | 110.3° | 120.0° |
| O17 | C9 | C10 | H102 | 0.9° | 122.7° |
| C9 | C10 | C11 | H101 | 125.3° | 122.1° |
| C9 | C10 | C11 | H102 | 125.3° | 118.2° |
| C9 | C10 | H101 | H102 | 119.4° | 115.9° |
| C9 | C10 | C11 | C8 | 171.9° | 177.8° |
| C9 | C10 | C11 | H111 | 62.8° | 59.1° |
| C9 | C10 | C11 | H112 | 46.7° | 58.6° |
| C11 | C10 | H101 | H102 | 119.4° | 119.3° |
| C10 | C11 | C8 | H111 | 125.3° | 124.3° |
| C10 | C11 | C8 | H112 | 125.3° | 120.1° |
| C10 | C11 | H111 | H112 | 120.5° | 119.5° |
| C10 | C11 | C8 | C12 | 106.8° | 94.2° |
| C10 | C11 | C8 | N1 | 72.4° | 83.9° |
| H101 | C10 | C11 | C8 | 46.7° | 60.0° |
| H101 | C10 | C11 | H111 | 171.9° | 63.1° |
| H101 | C10 | C11 | H112 | 78.6° | 179.3° |
| H102 | C10 | C11 | C8 | 62.8° | 59.7° |
| H102 | C10 | C11 | H111 | 62.5° | 177.2° |
| H102 | C10 | C11 | H112 | 171.9° | 59.6° |
| C8 | C11 | H111 | H112 | 120.6° | 116.8° |
| C11 | C8 | C12 | N1 | 179.2° | 178.3° |
| C11 | C8 | C12 | O19 | 42.9° | 90.0° |
| C11 | C8 | C12 | O18 | 135.1° | 91.4° |
| C11 | C8 | N1 | O13 | 1.4° | 0.8° |
| H111 | C11 | C8 | C12 | 127.9° | 30.0° |
| H111 | C11 | C8 | N1 | 52.9° | 151.8° |
| H112 | C11 | C8 | C12 | 18.5° | 145.7° |
| H112 | C11 | C8 | N1 | 162.4° | 36.2° |
| C8 | C12 | O19 | O18 | 177.9° | 178.3° |
| C8 | C12 | O18 | H18 | 180.0° | 178.5° |
| C12 | C8 | N1 | O13 | 179.4° | 178.9° |
| N1 | C8 | C12 | O19 | 137.8° | 88.4° |
| N1 | C8 | C12 | O18 | 44.2° | 90.2° |
| C8 | N1 | O13 | C5 | 173.7° | 180.0° |
| O19 | C12 | O18 | H18 | 2.1° | 0.0° |
| N1 | O13 | C5 | C3 | 71.6° | 180.0° |
| N1 | O13 | C5 | H5C1 | 53.7° | 59.2° |
| N1 | O13 | C5 | H5C2 | 163.2° | 58.1° |
| O13 | C5 | C3 | H5C1 | 125.2° | 118.8° |
| O13 | C5 | C3 | H5C2 | 125.2° | 120.1° |
| O13 | C5 | H5C1 | H5C2 | 118.4° | 117.4° |
| O13 | C5 | C3 | C4 | 79.0° | 61.2° |
| O13 | C5 | C3 | N2 | 48.0° | 58.3° |
| O13 | C5 | C3 | H3 | 165.6° | 175.9° |
| C3 | C5 | H5C1 | H5C2 | 118.5° | 122.9° |
| C5 | C3 | C4 | N2 | 126.3° | 122.0° |
| C5 | C3 | C4 | H3 | 116.2° | 124.0° |
| C5 | C3 | N2 | H3 | 116.6° | 121.5° |
| C5 | C3 | C4 | O14 | 112.5° | 86.0° |
| C5 | C3 | C4 | OXT | 66.8° | 91.6° |
| C5 | C3 | N2 | C6 | 56.5° | 91.4° |
| C5 | C3 | N2 | H2 | 123.4° | 88.5° |
| H5C1 | C5 | C3 | C4 | 46.2° | 180.0° |
| H5C1 | C5 | C3 | N2 | 173.2° | 60.6° |
| H5C1 | C5 | C3 | H3 | 69.1° | 57.0° |
| H5C2 | C5 | C3 | C4 | 155.7° | 58.9° |
| H5C2 | C5 | C3 | N2 | 77.3° | 178.4° |
| H5C2 | C5 | C3 | H3 | 40.4° | 64.0° |
| C4 | C3 | N2 | H3 | 115.5° | 117.2° |
| C3 | C4 | O14 | OXT | 179.3° | 177.4° |
| C4 | C3 | N2 | C6 | 175.6° | 147.2° |
| C4 | C3 | N2 | H2 | 4.4° | 32.9° |
| C3 | C4 | OXT | HOT | 180.0° | 177.8° |
| N2 | C3 | C4 | O14 | 13.8° | 36.0° |
| N2 | C3 | C4 | OXT | 166.9° | 146.4° |
| C3 | N2 | C6 | H2 | 180.0° | 179.9° |
| C3 | N2 | C6 | O15 | 4.8° | 0.1° |
| C3 | N2 | C6 | C7 | 175.7° | 180.0° |
| H3 | C3 | C4 | O14 | 131.3° | 150.0° |
| H3 | C3 | C4 | OXT | 49.5° | 32.4° |
| H3 | C3 | N2 | C6 | 60.1° | 30.1° |
| H3 | C3 | N2 | H2 | 119.9° | 150.0° |
| O14 | C4 | OXT | HOT | 0.7° | 0.1° |
| N2 | C6 | O15 | C7 | 179.5° | 179.9° |
| N2 | C6 | C7 | O34 | 141.2° | 179.4° |
| N2 | C6 | C7 | H7C1 | 15.9° | 60.0° |
| N2 | C6 | C7 | H7C2 | 93.5° | 59.8° |
| H2 | N2 | C6 | O15 | 175.2° | 180.0° |
| H2 | N2 | C6 | C7 | 4.3° | 0.1° |
| O15 | C6 | C7 | O34 | 38.3° | 0.5° |
| O15 | C6 | C7 | H7C1 | 163.6° | 119.9° |
| O15 | C6 | C7 | H7C2 | 87.0° | 120.4° |
| C6 | C7 | O34 | H7C1 | 125.3° | 119.9° |
| C6 | C7 | O34 | H7C2 | 125.3° | 121.4° |
| C6 | C7 | H7C1 | H7C2 | 115.1° | 120.4° |
| C6 | C7 | O34 | C35 | 80.2° | 150.1° |
| O34 | C7 | H7C1 | H7C2 | 115.1° | 118.9° |
| C7 | O34 | C35 | C40 | 130.9° | 30.0° |
| C7 | O34 | C35 | C36 | 50.5° | 150.0° |
| H7C1 | C7 | O34 | C35 | 45.1° | 90.0° |
| H7C2 | C7 | O34 | C35 | 154.5° | 28.7° |
| O34 | C35 | C40 | C36 | 178.7° | 180.0° |
| O34 | C35 | C40 | C39 | 179.9° | 180.0° |
| O34 | C35 | C40 | H40 | 0.1° | 0.0° |
| O34 | C35 | C36 | C37 | 179.1° | 180.0° |
| O34 | C35 | C36 | H36 | 0.9° | 0.0° |
| C35 | C40 | C39 | H40 | 180.0° | 180.0° |
| C35 | C40 | C39 | C38 | 0.3° | 0.0° |
| C35 | C40 | C39 | H39 | 179.7° | 180.0° |
| C40 | C35 | C36 | C37 | 2.3° | 0.0° |
| C40 | C35 | C36 | H36 | 177.7° | 180.0° |
| C36 | C35 | C40 | C39 | 1.4° | 0.0° |
| C36 | C35 | C40 | H40 | 178.6° | 180.0° |
| C35 | C36 | C37 | C38 | 1.3° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | H37 | 178.7° | 180.0° |
| C40 | C39 | C38 | H39 | 180.0° | 180.0° |
| C40 | C39 | C38 | C37 | 1.3° | 0.0° |
| C40 | C39 | C38 | H38 | 178.7° | 180.0° |
| H40 | C40 | C39 | C38 | 179.7° | 180.0° |
| H40 | C40 | C39 | H39 | 0.3° | 0.0° |
| C39 | C38 | C37 | H38 | 180.0° | 179.9° |
| C39 | C38 | C37 | C36 | 0.5° | 0.0° |
| C39 | C38 | C37 | H37 | 179.5° | 180.0° |
| H39 | C39 | C38 | C37 | 178.7° | 180.0° |
| H39 | C39 | C38 | H38 | 1.3° | 0.1° |
| C38 | C37 | C36 | H37 | 180.0° | 180.0° |
| C38 | C37 | C36 | H36 | 178.7° | 180.0° |
| H38 | C38 | C37 | C36 | 179.5° | 180.0° |
| H38 | C38 | C37 | H37 | 0.5° | 0.1° |
| H37 | C37 | C36 | H36 | 1.3° | 0.0° |
