A1L7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N17 | C09 | doub | 1.29Å | 1.28Å | |
| C09 | N08 | sing | 1.37Å | 1.50Å | |
| C07 | N08 | sing | 1.47Å | 1.34Å | |
| C07 | C06 | sing | 1.54Å | 1.66Å | |
| N08 | C18 | sing | 1.47Å | 1.50Å | |
| C06 | C05 | sing | 1.55Å | 1.33Å | |
| C05 | C18 | sing | 1.55Å | 1.62Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C04 | N03 | sing | 1.46Å | 1.50Å | |
| N03 | C02 | sing | 1.35Å | 1.49Å | |
| O01 | C02 | doub | 1.22Å | 1.17Å | |
| C02 | C19 | sing | 1.47Å | 1.50Å | |
| C19 | O31 | sing | 1.35Å | 1.33Å | Aromatic |
| C19 | N20 | doub | 1.31Å | 1.33Å | Aromatic |
| O31 | C22 | sing | 1.34Å | 1.33Å | Aromatic |
| N20 | N21 | sing | 1.29Å | 1.38Å | Aromatic |
| C22 | N21 | doub | 1.32Å | 1.33Å | Aromatic |
| C22 | C23 | sing | 1.48Å | 1.55Å | |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| N27 | C26 | trip | 1.14Å | 1.14Å | |
| C23 | C30 | sing | 1.40Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.43Å | 1.57Å | |
| C25 | C28 | doub | 1.40Å | 1.36Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| N03 | H15 | sing | 0.97Å | 1.00Å | |
| N17 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N17 | C09 | N08 | 121.4° | 120.0° |
| N17 | C09 | H8 | 119.3° | 120.0° |
| C09 | N17 | H16 | 112.0° | 119.9° |
| C09 | N08 | C07 | 129.8° | 125.7° |
| C09 | N08 | C18 | 124.3° | 125.7° |
| N08 | C09 | H8 | 119.3° | 120.0° |
| N08 | C07 | C06 | 102.8° | 107.3° |
| C07 | N08 | C18 | 105.8° | 108.6° |
| N08 | C07 | H6 | 111.1° | 109.9° |
| N08 | C07 | H7 | 111.1° | 109.9° |
| C07 | C06 | C05 | 105.9° | 102.9° |
| C07 | C06 | H4 | 110.4° | 110.7° |
| C07 | C06 | H5 | 110.4° | 110.9° |
| C06 | C07 | H6 | 111.1° | 109.8° |
| C06 | C07 | H7 | 111.1° | 109.9° |
| N08 | C18 | C05 | 101.9° | 104.9° |
| N08 | C18 | H9 | 111.3° | 110.3° |
| N08 | C18 | H10 | 111.3° | 110.4° |
| C06 | C05 | C18 | 107.3° | 101.6° |
| C06 | C05 | C04 | 109.4° | 111.0° |
| C06 | C05 | H3 | 113.4° | 111.1° |
| C05 | C06 | H4 | 110.4° | 110.7° |
| C05 | C06 | H5 | 110.4° | 110.7° |
| C18 | C05 | C04 | 107.6° | 111.0° |
| C18 | C05 | H3 | 109.0° | 111.0° |
| C05 | C18 | H9 | 111.3° | 110.4° |
| C05 | C18 | H10 | 111.3° | 110.4° |
| C05 | C04 | N03 | 113.6° | 109.5° |
| C05 | C04 | H1 | 108.4° | 109.5° |
| C05 | C04 | H2 | 108.4° | 109.4° |
| C04 | C05 | H3 | 109.9° | 110.9° |
| C04 | N03 | C02 | 120.2° | 120.0° |
| N03 | C04 | H1 | 108.5° | 109.5° |
| N03 | C04 | H2 | 108.4° | 109.4° |
| C04 | N03 | H15 | 119.9° | 120.0° |
| N03 | C02 | O01 | 119.8° | 120.0° |
| N03 | C02 | C19 | 119.9° | 120.0° |
| C02 | N03 | H15 | 119.9° | 120.0° |
| O01 | C02 | C19 | 120.3° | 120.0° |
| C02 | C19 | O31 | 126.8° | 126.3° |
| C02 | C19 | N20 | 125.9° | 126.3° |
| O31 | C19 | N20 | 107.3° | 107.4° |
| C19 | O31 | C22 | 109.9° | 106.4° |
| C19 | N20 | N21 | 107.7° | 109.4° |
| O31 | C22 | N21 | 107.4° | 107.5° |
| O31 | C22 | C23 | 126.6° | 126.3° |
| N20 | N21 | C22 | 107.7° | 109.3° |
| N21 | C22 | C23 | 126.0° | 126.2° |
| C22 | C23 | C24 | 120.3° | 120.1° |
| C22 | C23 | C30 | 119.6° | 120.0° |
| C23 | C24 | C25 | 119.8° | 119.7° |
| C24 | C23 | C30 | 120.1° | 119.9° |
| C23 | C24 | H11 | 120.1° | 120.2° |
| C24 | C25 | C26 | 120.7° | 120.1° |
| C24 | C25 | C28 | 120.0° | 119.9° |
| C25 | C24 | H11 | 120.1° | 120.1° |
| N27 | C26 | C25 | 179.5° | 180.0° |
| C23 | C30 | C29 | 120.1° | 120.1° |
| C23 | C30 | H14 | 120.0° | 120.0° |
| C26 | C25 | C28 | 119.3° | 120.0° |
| C25 | C28 | C29 | 120.1° | 120.1° |
| C25 | C28 | H12 | 120.0° | 119.9° |
| C30 | C29 | C28 | 119.9° | 120.3° |
| C30 | C29 | H13 | 120.0° | 119.8° |
| C29 | C30 | H14 | 119.9° | 119.9° |
| C29 | C28 | H12 | 120.0° | 120.0° |
| C28 | C29 | H13 | 120.1° | 119.8° |
| H1 | C04 | H2 | 109.4° | 109.5° |
| H4 | C06 | H5 | 109.5° | 110.7° |
| H6 | C07 | H7 | 109.4° | 109.9° |
| H9 | C18 | H10 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | C09 | N08 | H8 | 180.0° | 179.9° |
| N17 | C09 | N08 | C07 | 1.5° | 0.1° |
| N17 | C09 | N08 | C18 | 179.6° | 180.0° |
| C09 | N08 | C07 | C18 | 178.4° | 179.9° |
| C09 | N08 | C07 | C06 | 137.9° | 178.9° |
| C09 | N08 | C18 | C05 | 143.1° | 155.8° |
| C09 | N08 | C07 | H6 | 18.9° | 61.7° |
| C09 | N08 | C07 | H7 | 103.2° | 59.4° |
| C09 | N08 | C18 | H9 | 98.1° | 36.9° |
| C09 | N08 | C18 | H10 | 24.3° | 85.3° |
| N08 | C09 | N17 | H16 | 180.0° | 180.0° |
| N08 | C07 | C06 | H6 | 119.0° | 119.4° |
| N08 | C07 | C06 | H7 | 118.9° | 119.5° |
| N08 | C07 | C06 | C05 | 32.2° | 22.2° |
| C07 | N08 | C18 | C05 | 35.4° | 24.1° |
| N08 | C07 | C06 | H4 | 87.2° | 96.1° |
| N08 | C07 | C06 | H5 | 151.6° | 140.6° |
| N08 | C07 | H6 | H7 | 123.1° | 121.1° |
| C07 | N08 | C09 | H8 | 178.5° | 180.0° |
| C07 | N08 | C18 | H9 | 83.4° | 143.0° |
| C07 | N08 | C18 | H10 | 154.1° | 94.8° |
| C06 | C07 | N08 | C18 | 40.5° | 1.0° |
| C07 | C06 | C05 | H4 | 119.4° | 118.4° |
| C07 | C06 | C05 | H5 | 119.5° | 118.5° |
| C07 | C06 | C05 | C18 | 9.2° | 35.5° |
| C07 | C06 | C05 | C04 | 107.2° | 153.6° |
| C07 | C06 | C05 | H3 | 129.7° | 82.6° |
| C07 | C06 | H4 | H5 | 121.7° | 123.3° |
| C06 | C07 | H6 | H7 | 123.1° | 121.1° |
| N08 | C18 | C05 | C06 | 13.4° | 37.0° |
| N08 | C18 | C05 | H9 | 118.8° | 118.8° |
| N08 | C18 | C05 | H10 | 118.8° | 118.9° |
| N08 | C18 | C05 | C04 | 131.0° | 155.1° |
| N08 | C18 | C05 | H3 | 109.8° | 81.1° |
| C18 | N08 | C07 | H6 | 159.4° | 118.4° |
| C18 | N08 | C07 | H7 | 78.5° | 120.5° |
| C18 | N08 | C09 | H8 | 0.4° | 0.1° |
| N08 | C18 | H9 | H10 | 123.5° | 122.3° |
| C06 | C05 | C18 | C04 | 117.6° | 118.1° |
| C06 | C05 | C18 | H3 | 123.2° | 118.1° |
| C06 | C05 | C04 | H3 | 125.2° | 123.9° |
| C06 | C05 | C04 | N03 | 151.4° | 178.6° |
| C06 | C05 | C04 | H1 | 87.9° | 61.3° |
| C06 | C05 | C04 | H2 | 30.8° | 58.7° |
| C05 | C06 | H4 | H5 | 121.7° | 123.2° |
| C05 | C06 | C07 | H6 | 151.2° | 141.6° |
| C05 | C06 | C07 | H7 | 86.7° | 97.3° |
| C06 | C05 | C18 | H9 | 105.4° | 155.8° |
| C06 | C05 | C18 | H10 | 132.1° | 81.9° |
| C18 | C05 | C04 | H3 | 118.6° | 123.8° |
| C18 | C05 | C04 | N03 | 35.2° | 66.4° |
| C18 | C05 | C04 | H1 | 155.8° | 173.5° |
| C18 | C05 | C04 | H2 | 85.4° | 53.6° |
| C18 | C05 | C06 | H4 | 110.2° | 82.9° |
| C18 | C05 | C06 | H5 | 128.7° | 154.0° |
| C05 | C18 | H9 | H10 | 123.5° | 122.3° |
| C05 | C04 | N03 | H1 | 120.6° | 120.0° |
| C05 | C04 | N03 | H2 | 120.6° | 120.0° |
| C05 | C04 | N03 | C02 | 75.8° | 180.0° |
| C05 | C04 | H1 | H2 | 118.1° | 120.0° |
| C04 | C05 | C06 | H4 | 133.4° | 35.2° |
| C04 | C05 | C06 | H5 | 12.2° | 87.9° |
| C04 | C05 | C18 | H9 | 12.2° | 86.1° |
| C04 | C05 | C18 | H10 | 110.3° | 36.2° |
| C05 | C04 | N03 | H15 | 104.2° | 0.0° |
| C04 | N03 | C02 | H15 | 180.0° | 180.0° |
| C04 | N03 | C02 | O01 | 0.4° | 0.2° |
| C04 | N03 | C02 | C19 | 177.5° | 180.0° |
| N03 | C04 | H1 | H2 | 118.1° | 120.0° |
| N03 | C04 | C05 | H3 | 83.4° | 57.4° |
| N03 | C02 | O01 | C19 | 177.9° | 179.8° |
| N03 | C02 | C19 | O31 | 173.3° | 180.0° |
| N03 | C02 | C19 | N20 | 9.9° | 0.3° |
| C02 | N03 | C04 | H1 | 44.8° | 60.0° |
| C02 | N03 | C04 | H2 | 163.6° | 60.0° |
| O01 | C02 | C19 | O31 | 8.8° | 0.2° |
| O01 | C02 | C19 | N20 | 168.0° | 179.9° |
| O01 | C02 | N03 | H15 | 179.6° | 179.7° |
| C02 | C19 | O31 | N20 | 177.3° | 179.7° |
| C02 | C19 | O31 | C22 | 178.0° | 179.8° |
| C02 | C19 | N20 | N21 | 178.3° | 180.0° |
| C19 | C02 | N03 | H15 | 2.5° | 0.0° |
| O31 | C19 | N20 | N21 | 1.0° | 0.3° |
| C19 | O31 | C22 | N21 | 0.1° | 0.4° |
| C19 | O31 | C22 | C23 | 178.9° | 179.8° |
| N20 | C19 | O31 | C22 | 0.7° | 0.4° |
| C19 | N20 | N21 | C22 | 1.0° | 0.0° |
| O31 | C22 | N21 | N20 | 0.5° | 0.2° |
| O31 | C22 | N21 | C23 | 179.0° | 179.8° |
| O31 | C22 | C23 | C24 | 15.6° | 179.4° |
| O31 | C22 | C23 | C30 | 164.7° | 0.4° |
| N20 | N21 | C22 | C23 | 179.6° | 180.0° |
| N21 | C22 | C23 | C24 | 163.3° | 0.3° |
| N21 | C22 | C23 | C30 | 16.4° | 179.9° |
| C22 | C23 | C24 | C30 | 179.7° | 179.8° |
| C22 | C23 | C24 | C25 | 179.6° | 180.0° |
| C22 | C23 | C30 | C29 | 179.6° | 179.7° |
| C22 | C23 | C24 | H11 | 0.4° | 0.0° |
| C22 | C23 | C30 | H14 | 0.4° | 0.1° |
| C23 | C24 | C25 | H11 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 179.9° | 180.0° |
| C23 | C24 | C25 | C28 | 0.1° | 0.1° |
| C24 | C23 | C30 | C29 | 0.1° | 0.5° |
| C24 | C23 | C30 | H14 | 179.9° | 179.7° |
| C24 | C25 | C26 | N27 | 170.8° | 40.4° |
| C25 | C24 | C23 | C30 | 0.1° | 0.2° |
| C24 | C25 | C26 | C28 | 179.9° | 179.9° |
| C24 | C25 | C28 | C29 | 0.2° | 0.1° |
| C24 | C25 | C28 | H12 | 179.8° | 180.0° |
| N27 | C26 | C25 | C28 | 9.3° | 139.7° |
| C23 | C30 | C29 | H14 | 180.0° | 179.8° |
| C23 | C30 | C29 | C28 | 0.0° | 0.5° |
| C30 | C23 | C24 | H11 | 179.9° | 179.8° |
| C23 | C30 | C29 | H13 | 179.9° | 179.8° |
| C26 | C25 | C28 | C29 | 179.9° | 180.0° |
| C26 | C25 | C24 | H11 | 0.1° | 0.0° |
| C26 | C25 | C28 | H12 | 0.0° | 0.0° |
| C25 | C28 | C29 | C30 | 0.2° | 0.2° |
| C25 | C28 | C29 | H12 | 180.0° | 179.9° |
| C28 | C25 | C24 | H11 | 179.9° | 180.0° |
| C25 | C28 | C29 | H13 | 179.8° | 180.0° |
| C30 | C29 | C28 | H13 | 180.0° | 179.8° |
| C30 | C29 | C28 | H12 | 179.8° | 179.7° |
| C28 | C29 | C30 | H14 | 179.9° | 179.7° |
| H1 | C04 | C05 | H3 | 37.2° | 62.6° |
| H1 | C04 | N03 | H15 | 135.2° | 120.0° |
| H2 | C04 | C05 | H3 | 156.0° | 177.4° |
| H2 | C04 | N03 | H15 | 16.4° | 120.0° |
| H3 | C05 | C06 | H4 | 10.2° | 159.1° |
| H3 | C05 | C06 | H5 | 110.9° | 35.9° |
| H3 | C05 | C18 | H9 | 131.4° | 37.7° |
| H3 | C05 | C18 | H10 | 8.9° | 159.9° |
| H4 | C06 | C07 | H6 | 31.7° | 23.3° |
| H4 | C06 | C07 | H7 | 153.8° | 144.4° |
| H5 | C06 | C07 | H6 | 89.4° | 100.0° |
| H5 | C06 | C07 | H7 | 32.7° | 21.1° |
| H8 | C09 | N17 | H16 | 0.0° | 0.1° |
| H12 | C28 | C29 | H13 | 0.2° | 0.0° |
| H13 | C29 | C30 | H14 | 0.1° | 0.0° |






