7QA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| O05 | C04 | doub | 1.21Å | 1.18Å | |
| O20 | C19 | doub | 1.21Å | 1.26Å | |
| C02 | C19 | sing | 1.51Å | 1.52Å | |
| C02 | N03 | sing | 1.46Å | 1.44Å | |
| C19 | O21 | sing | 1.34Å | 1.27Å | |
| C04 | N03 | sing | 1.35Å | 1.44Å | |
| C04 | C06 | sing | 1.51Å | 1.52Å | |
| N11 | C10 | sing | 1.47Å | 1.45Å | |
| O17 | C16 | doub | 1.21Å | 1.26Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C06 | N15 | sing | 1.47Å | 1.45Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.51Å | 1.53Å | |
| C16 | N15 | sing | 1.35Å | 1.45Å | |
| C16 | O18 | sing | 1.35Å | 1.26Å | |
| O13 | C12 | doub | 1.21Å | 1.27Å | |
| C12 | O14 | sing | 1.34Å | 1.25Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| N03 | H6 | sing | 0.97Å | 1.00Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| N11 | H14 | sing | 1.01Å | 1.00Å | |
| N11 | H15 | sing | 1.01Å | 1.00Å | |
| O14 | H17 | sing | 0.97Å | 0.95Å | |
| N15 | H18 | sing | 0.97Å | 1.00Å | |
| O18 | H19 | sing | 0.97Å | 0.95Å | |
| O21 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C19 | 112.5° | 109.4° |
| C01 | C02 | N03 | 109.8° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C01 | C02 | H5 | 109.3° | 109.5° |
| O05 | C04 | N03 | 120.6° | 120.0° |
| O05 | C04 | C06 | 122.1° | 120.0° |
| O20 | C19 | C02 | 119.2° | 120.0° |
| O20 | C19 | O21 | 120.8° | 120.0° |
| C19 | C02 | N03 | 105.5° | 109.5° |
| C02 | C19 | O21 | 120.0° | 120.0° |
| C19 | C02 | H5 | 109.4° | 109.5° |
| C02 | N03 | C04 | 120.3° | 120.0° |
| N03 | C02 | H5 | 110.4° | 109.5° |
| C02 | N03 | H6 | 119.9° | 120.1° |
| C19 | O21 | H20 | 109.5° | 117.0° |
| N03 | C04 | C06 | 117.3° | 120.0° |
| C04 | N03 | H6 | 119.8° | 119.9° |
| C04 | C06 | C07 | 111.4° | 109.5° |
| C04 | C06 | N15 | 107.8° | 109.5° |
| C04 | C06 | H7 | 110.0° | 109.5° |
| N11 | C10 | C09 | 111.2° | 109.5° |
| N11 | C10 | C12 | 109.0° | 109.5° |
| N11 | C10 | H1 | 109.7° | 109.5° |
| C10 | N11 | H14 | 109.5° | 111.0° |
| C10 | N11 | H15 | 109.5° | 111.0° |
| O17 | C16 | N15 | 119.8° | 120.0° |
| O17 | C16 | O18 | 120.8° | 120.0° |
| C07 | C08 | C09 | 109.5° | 109.5° |
| C08 | C07 | C06 | 114.1° | 109.5° |
| C08 | C07 | H8 | 108.3° | 109.5° |
| C08 | C07 | H9 | 108.3° | 109.4° |
| C07 | C08 | H10 | 109.5° | 109.5° |
| C07 | C08 | H11 | 109.5° | 109.4° |
| C08 | C09 | C10 | 113.4° | 109.5° |
| C09 | C08 | H10 | 109.4° | 109.5° |
| C09 | C08 | H11 | 109.4° | 109.4° |
| C08 | C09 | H12 | 108.5° | 109.5° |
| C08 | C09 | H13 | 108.5° | 109.4° |
| C07 | C06 | N15 | 106.7° | 109.4° |
| C07 | C06 | H7 | 109.9° | 109.5° |
| C06 | C07 | H8 | 108.3° | 109.5° |
| C06 | C07 | H9 | 108.3° | 109.4° |
| C06 | N15 | C16 | 120.1° | 120.0° |
| N15 | C06 | H7 | 110.9° | 109.5° |
| C06 | N15 | H18 | 120.0° | 120.0° |
| C09 | C10 | C12 | 109.5° | 109.5° |
| C09 | C10 | H1 | 108.7° | 109.5° |
| C10 | C09 | H12 | 108.5° | 109.5° |
| C10 | C09 | H13 | 108.5° | 109.5° |
| C10 | C12 | O13 | 119.9° | 120.0° |
| C10 | C12 | O14 | 120.0° | 120.0° |
| C12 | C10 | H1 | 108.7° | 109.4° |
| N15 | C16 | O18 | 119.4° | 120.0° |
| C16 | N15 | H18 | 120.0° | 120.0° |
| C16 | O18 | H19 | 109.5° | 117.0° |
| O13 | C12 | O14 | 120.1° | 120.0° |
| C12 | O14 | H17 | 109.5° | 117.0° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.5° |
| H10 | C08 | H11 | 109.4° | 109.5° |
| H12 | C09 | H13 | 109.5° | 109.5° |
| H14 | N11 | H15 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C19 | O20 | 103.8° | 120.0° |
| C01 | C02 | C19 | N03 | 119.6° | 119.9° |
| C01 | C02 | C19 | H5 | 121.6° | 120.0° |
| C01 | C02 | N03 | H5 | 120.5° | 120.0° |
| C01 | C02 | C19 | O21 | 77.1° | 60.0° |
| C01 | C02 | N03 | C04 | 79.3° | 85.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | C02 | N03 | H6 | 100.7° | 95.0° |
| O05 | C04 | N03 | C02 | 1.1° | 0.1° |
| O05 | C04 | N03 | C06 | 178.2° | 180.0° |
| O05 | C04 | C06 | C07 | 105.6° | 99.9° |
| O05 | C04 | C06 | N15 | 137.7° | 20.0° |
| O05 | C04 | N03 | H6 | 178.9° | 180.0° |
| O05 | C04 | C06 | H7 | 16.6° | 140.0° |
| O20 | C19 | C02 | O21 | 179.1° | 179.9° |
| O20 | C19 | C02 | N03 | 136.6° | 0.1° |
| O20 | C19 | C02 | H5 | 17.9° | 120.0° |
| O20 | C19 | O21 | H20 | 0.0° | 0.0° |
| C19 | C02 | N03 | H5 | 118.1° | 120.0° |
| C19 | C02 | N03 | C04 | 159.3° | 155.0° |
| C19 | C02 | C01 | H2 | 180.0° | 60.0° |
| C19 | C02 | C01 | H3 | 60.0° | 60.0° |
| C19 | C02 | C01 | H4 | 60.0° | 180.0° |
| C19 | C02 | N03 | H6 | 20.7° | 24.9° |
| C02 | C19 | O21 | H20 | 179.1° | 180.0° |
| N03 | C02 | C19 | O21 | 42.5° | 180.0° |
| C02 | N03 | C04 | H6 | 180.0° | 179.9° |
| C02 | N03 | C04 | C06 | 179.3° | 180.0° |
| N03 | C02 | C01 | H2 | 62.9° | 179.9° |
| N03 | C02 | C01 | H3 | 177.1° | 60.0° |
| N03 | C02 | C01 | H4 | 57.1° | 60.1° |
| O21 | C19 | C02 | H5 | 161.3° | 59.9° |
| N03 | C04 | C06 | C07 | 76.3° | 80.0° |
| N03 | C04 | C06 | N15 | 40.5° | 160.0° |
| C04 | N03 | C02 | H5 | 41.2° | 35.0° |
| N03 | C04 | C06 | H7 | 161.5° | 40.0° |
| C04 | C06 | C07 | C08 | 81.3° | 175.0° |
| C04 | C06 | C07 | N15 | 117.4° | 120.0° |
| C04 | C06 | C07 | H7 | 122.2° | 120.0° |
| C04 | C06 | N15 | H7 | 120.5° | 120.0° |
| C04 | C06 | N15 | C16 | 71.8° | 60.0° |
| C06 | C04 | N03 | H6 | 0.7° | 0.0° |
| C04 | C06 | C07 | H8 | 39.4° | 65.0° |
| C04 | C06 | C07 | H9 | 158.0° | 55.1° |
| C04 | C06 | N15 | H18 | 108.3° | 120.0° |
| N11 | C10 | C09 | C08 | 57.7° | 65.0° |
| N11 | C10 | C09 | C12 | 120.6° | 120.0° |
| N11 | C10 | C09 | H1 | 120.8° | 120.0° |
| N11 | C10 | C12 | H1 | 119.5° | 120.0° |
| N11 | C10 | C12 | O13 | 14.2° | 20.1° |
| N11 | C10 | C12 | O14 | 165.6° | 160.0° |
| N11 | C10 | C09 | H12 | 62.9° | 175.0° |
| N11 | C10 | C09 | H13 | 178.2° | 55.0° |
| C10 | N11 | H14 | H15 | 120.0° | 124.0° |
| O17 | C16 | N15 | C06 | 3.2° | 0.0° |
| O17 | C16 | N15 | O18 | 179.5° | 180.0° |
| O17 | C16 | N15 | H18 | 176.9° | 180.0° |
| O17 | C16 | O18 | H19 | 0.0° | 0.1° |
| C07 | C08 | C09 | H10 | 120.0° | 120.0° |
| C07 | C08 | C09 | H11 | 120.0° | 119.9° |
| C08 | C07 | C06 | H8 | 120.7° | 120.0° |
| C08 | C07 | C06 | H9 | 120.7° | 119.9° |
| C08 | C07 | C06 | N15 | 161.3° | 65.1° |
| C07 | C08 | C09 | C10 | 157.4° | 180.0° |
| C08 | C07 | C06 | H7 | 40.9° | 54.9° |
| C08 | C07 | H8 | H9 | 117.9° | 120.0° |
| C07 | C08 | H10 | H11 | 120.0° | 120.0° |
| C07 | C08 | C09 | H12 | 82.0° | 60.0° |
| C07 | C08 | C09 | H13 | 36.9° | 59.9° |
| C09 | C08 | C07 | C06 | 153.4° | 180.0° |
| C08 | C09 | C10 | H12 | 120.6° | 120.0° |
| C08 | C09 | C10 | H13 | 120.5° | 120.0° |
| C08 | C09 | C10 | C12 | 178.3° | 175.0° |
| C08 | C09 | C10 | H1 | 63.1° | 55.0° |
| C09 | C08 | C07 | H8 | 85.9° | 60.0° |
| C09 | C08 | C07 | H9 | 32.7° | 60.1° |
| C09 | C08 | H10 | H11 | 119.9° | 120.0° |
| C08 | C09 | H12 | H13 | 118.2° | 119.9° |
| C07 | C06 | N15 | H7 | 119.7° | 120.0° |
| C07 | C06 | N15 | C16 | 168.4° | 60.0° |
| C06 | C07 | H8 | H9 | 117.9° | 120.0° |
| C06 | C07 | C08 | H10 | 86.5° | 59.9° |
| C06 | C07 | C08 | H11 | 33.4° | 60.1° |
| C07 | C06 | N15 | H18 | 11.5° | 120.0° |
| C06 | N15 | C16 | H18 | 180.0° | 180.0° |
| C06 | N15 | C16 | O18 | 176.4° | 180.0° |
| N15 | C06 | C07 | H8 | 78.0° | 55.0° |
| N15 | C06 | C07 | H9 | 40.6° | 175.0° |
| C09 | C10 | C12 | H1 | 118.6° | 120.0° |
| C09 | C10 | C12 | O13 | 136.1° | 100.0° |
| C09 | C10 | C12 | O14 | 43.7° | 80.0° |
| C10 | C09 | C08 | H10 | 37.4° | 60.0° |
| C10 | C09 | C08 | H11 | 82.5° | 60.0° |
| C10 | C09 | H12 | H13 | 118.2° | 120.1° |
| C09 | C10 | N11 | H14 | 180.0° | 64.0° |
| C09 | C10 | N11 | H15 | 60.0° | 60.0° |
| C10 | C12 | O13 | O14 | 179.7° | 179.9° |
| C12 | C10 | C09 | H12 | 57.7° | 55.0° |
| C12 | C10 | C09 | H13 | 61.2° | 65.0° |
| C12 | C10 | N11 | H14 | 59.1° | 176.0° |
| C12 | C10 | N11 | H15 | 179.1° | 60.0° |
| C10 | C12 | O14 | H17 | 179.7° | 179.9° |
| C16 | N15 | C06 | H7 | 48.7° | 180.0° |
| N15 | C16 | O18 | H19 | 179.6° | 180.0° |
| O18 | C16 | N15 | H18 | 3.6° | 0.0° |
| O13 | C12 | C10 | H1 | 105.3° | 140.0° |
| O13 | C12 | O14 | H17 | 0.0° | 0.0° |
| O14 | C12 | C10 | H1 | 74.9° | 40.0° |
| H1 | C10 | C09 | H12 | 176.3° | 65.0° |
| H1 | C10 | C09 | H13 | 57.4° | 175.0° |
| H1 | C10 | N11 | H14 | 59.8° | 56.1° |
| H1 | C10 | N11 | H15 | 60.3° | 179.9° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H2 | C01 | C02 | H5 | 58.3° | 60.0° |
| H3 | C01 | C02 | H5 | 61.7° | 180.0° |
| H4 | C01 | C02 | H5 | 178.3° | 60.0° |
| H5 | C02 | N03 | H6 | 138.8° | 145.0° |
| H7 | C06 | C07 | H8 | 161.6° | 175.0° |
| H7 | C06 | C07 | H9 | 79.8° | 65.0° |
| H7 | C06 | N15 | H18 | 131.3° | 0.0° |
| H8 | C07 | C08 | H10 | 34.1° | 180.0° |
| H8 | C07 | C08 | H11 | 154.1° | 60.0° |
| H9 | C07 | C08 | H10 | 152.8° | 60.0° |
| H9 | C07 | C08 | H11 | 87.3° | 180.0° |
| H10 | C08 | C09 | H12 | 157.9° | 60.0° |
| H10 | C08 | C09 | H13 | 83.2° | 180.0° |
| H11 | C08 | C09 | H12 | 38.0° | 179.9° |
| H11 | C08 | C09 | H13 | 156.9° | 60.0° |
