A1L7G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C12 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | doub | 1.36Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.41Å | 1.41Å | Aromatic |
| N17 | C20 | sing | 1.47Å | 1.45Å | |
| N17 | C15 | sing | 1.47Å | 1.46Å | |
| C07 | C04 | doub | 1.40Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | O13 | doub | 1.21Å | 1.19Å | |
| C12 | N11 | sing | 1.35Å | 1.45Å | |
| N11 | C08 | sing | 1.40Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.42Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C08 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| O19 | C16 | doub | 1.21Å | 1.26Å | |
| C01 | C06 | doub | 1.36Å | 1.39Å | Aromatic |
| C16 | O18 | sing | 1.34Å | 1.26Å | |
| C05 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
| C05 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C09 | C10 | sing | 1.36Å | 1.39Å | Aromatic |
| C22 | O23 | sing | 1.43Å | 1.40Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N17 | H172 | sing | 1.01Å | 1.00Å | |
| O18 | H2 | sing | 0.97Å | 0.95Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C14 | C15 | 115.8° | 109.5° |
| C14 | C12 | O13 | 120.9° | 120.0° |
| C14 | C12 | N11 | 118.8° | 120.0° |
| C12 | C14 | H142 | 107.9° | 109.5° |
| C12 | C14 | H141 | 107.8° | 109.4° |
| C14 | C15 | N17 | 107.9° | 109.5° |
| C14 | C15 | C16 | 115.4° | 109.5° |
| C14 | C15 | H151 | 108.4° | 109.5° |
| C15 | C14 | H142 | 107.9° | 109.5° |
| C15 | C14 | H141 | 107.9° | 109.5° |
| C02 | C03 | C04 | 120.0° | 119.7° |
| C03 | C02 | C01 | 120.1° | 121.0° |
| C03 | C02 | H021 | 119.9° | 119.5° |
| C02 | C03 | H031 | 120.0° | 120.2° |
| C03 | C04 | C07 | 120.1° | 121.2° |
| C03 | C04 | C05 | 119.8° | 119.3° |
| C04 | C03 | H031 | 120.0° | 120.1° |
| C20 | N17 | C15 | 111.7° | 111.0° |
| N17 | C20 | C21 | 110.5° | 109.4° |
| N17 | C20 | H202 | 109.2° | 109.5° |
| N17 | C20 | H201 | 109.2° | 109.5° |
| C20 | N17 | H172 | 108.9° | 111.0° |
| N17 | C15 | C16 | 107.2° | 109.5° |
| N17 | C15 | H151 | 109.3° | 109.4° |
| C15 | N17 | H172 | 108.9° | 111.0° |
| C04 | C07 | C08 | 120.0° | 119.5° |
| C07 | C04 | C05 | 120.0° | 119.4° |
| C04 | C07 | H071 | 120.0° | 120.2° |
| C07 | C08 | N11 | 120.1° | 119.6° |
| C07 | C08 | C09 | 120.0° | 120.7° |
| C08 | C07 | H071 | 120.0° | 120.3° |
| C02 | C01 | C06 | 119.9° | 121.0° |
| C02 | C01 | H011 | 120.0° | 119.5° |
| C01 | C02 | H021 | 119.9° | 119.5° |
| O13 | C12 | N11 | 120.3° | 120.0° |
| C12 | N11 | C08 | 122.0° | 120.0° |
| C12 | N11 | H111 | 119.0° | 120.1° |
| N11 | C08 | C09 | 119.9° | 119.6° |
| C08 | N11 | H111 | 119.0° | 119.9° |
| C20 | C21 | C22 | 111.2° | 109.4° |
| C21 | C20 | H202 | 109.2° | 109.5° |
| C21 | C20 | H201 | 109.2° | 109.5° |
| C20 | C21 | H212 | 109.0° | 109.5° |
| C20 | C21 | H211 | 109.0° | 109.5° |
| C04 | C05 | C06 | 120.0° | 119.3° |
| C04 | C05 | C10 | 119.9° | 119.5° |
| C15 | C16 | O19 | 120.7° | 120.0° |
| C15 | C16 | O18 | 119.3° | 120.0° |
| C16 | C15 | H151 | 108.5° | 109.4° |
| C08 | C09 | C10 | 120.1° | 120.9° |
| C08 | C09 | H091 | 119.9° | 119.5° |
| C21 | C22 | O23 | 109.0° | 109.4° |
| C22 | C21 | H212 | 109.0° | 109.5° |
| C22 | C21 | H211 | 109.0° | 109.5° |
| C21 | C22 | H221 | 109.6° | 109.5° |
| C21 | C22 | H222 | 109.6° | 109.5° |
| O19 | C16 | O18 | 120.0° | 120.0° |
| C01 | C06 | C05 | 120.1° | 119.7° |
| C06 | C01 | H011 | 120.1° | 119.5° |
| C01 | C06 | H061 | 119.9° | 120.1° |
| C16 | O18 | H2 | 109.5° | 117.0° |
| C06 | C05 | C10 | 120.1° | 121.2° |
| C05 | C06 | H061 | 120.0° | 120.1° |
| C05 | C10 | C09 | 120.1° | 119.9° |
| C05 | C10 | H101 | 120.0° | 120.1° |
| C09 | C10 | H101 | 120.0° | 120.0° |
| C10 | C09 | H091 | 120.0° | 119.6° |
| O23 | C22 | H221 | 109.6° | 109.4° |
| O23 | C22 | H222 | 109.6° | 109.5° |
| C22 | O23 | H231 | 109.5° | 113.9° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C14 | C15 | H142 | 121.0° | 120.0° |
| C12 | C14 | C15 | H141 | 120.9° | 120.0° |
| C12 | C14 | C15 | N17 | 144.9° | 65.0° |
| C14 | C12 | O13 | N11 | 177.9° | 180.0° |
| C14 | C12 | N11 | C08 | 179.2° | 175.4° |
| C12 | C14 | C15 | C16 | 25.1° | 175.0° |
| C12 | C14 | C15 | H151 | 96.9° | 55.0° |
| C12 | C14 | H142 | H141 | 117.1° | 120.0° |
| C14 | C12 | N11 | H111 | 0.8° | 4.5° |
| C14 | C15 | N17 | C20 | 152.1° | 155.0° |
| C14 | C15 | N17 | C16 | 124.9° | 120.0° |
| C14 | C15 | N17 | H151 | 117.7° | 120.0° |
| C15 | C14 | C12 | O13 | 114.2° | 0.0° |
| C15 | C14 | C12 | N11 | 67.9° | 180.0° |
| C14 | C15 | C16 | H151 | 121.9° | 120.0° |
| C14 | C15 | C16 | O19 | 47.4° | 120.0° |
| C14 | C15 | C16 | O18 | 133.6° | 59.9° |
| C15 | C14 | H142 | H141 | 117.1° | 120.0° |
| C14 | C15 | N17 | H172 | 31.8° | 31.1° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | C07 | 179.9° | 179.9° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | C01 | C06 | 0.1° | 0.0° |
| C03 | C02 | C01 | H011 | 179.9° | 179.9° |
| C03 | C04 | C07 | C05 | 179.8° | 180.0° |
| C03 | C04 | C07 | C08 | 179.7° | 179.8° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C03 | C04 | C05 | C10 | 179.9° | 180.0° |
| C04 | C03 | C02 | H021 | 179.9° | 180.0° |
| C03 | C04 | C07 | H071 | 0.3° | 0.0° |
| C20 | N17 | C15 | H172 | 120.3° | 124.0° |
| N17 | C20 | C21 | H202 | 120.1° | 120.0° |
| N17 | C20 | C21 | H201 | 120.2° | 120.0° |
| C20 | N17 | C15 | C16 | 83.0° | 84.9° |
| N17 | C20 | C21 | C22 | 129.3° | 180.0° |
| C20 | N17 | C15 | H151 | 34.4° | 35.0° |
| N17 | C20 | H202 | H201 | 119.5° | 120.0° |
| N17 | C20 | C21 | H212 | 9.0° | 60.0° |
| N17 | C20 | C21 | H211 | 110.4° | 60.0° |
| C15 | N17 | C20 | C21 | 94.5° | 180.0° |
| N17 | C15 | C16 | H151 | 117.9° | 119.9° |
| N17 | C15 | C16 | O19 | 72.9° | 0.1° |
| N17 | C15 | C16 | O18 | 106.2° | 180.0° |
| C15 | N17 | C20 | H202 | 145.3° | 60.0° |
| C15 | N17 | C20 | H201 | 25.6° | 60.1° |
| N17 | C15 | C14 | H142 | 23.9° | 55.0° |
| N17 | C15 | C14 | H141 | 94.2° | 175.0° |
| C04 | C07 | C08 | H071 | 180.0° | 179.9° |
| C04 | C07 | C08 | N11 | 179.5° | 180.0° |
| C04 | C07 | C08 | C09 | 0.4° | 0.1° |
| C07 | C04 | C05 | C06 | 180.0° | 180.0° |
| C07 | C04 | C05 | C10 | 0.1° | 0.0° |
| C07 | C04 | C03 | H031 | 0.1° | 0.1° |
| C07 | C08 | N11 | C12 | 76.9° | 144.8° |
| C07 | C08 | N11 | C09 | 179.1° | 179.9° |
| C08 | C07 | C04 | C05 | 0.1° | 0.2° |
| C07 | C08 | C09 | C10 | 0.5° | 0.1° |
| C07 | C08 | C09 | H091 | 179.5° | 179.9° |
| C07 | C08 | N11 | H111 | 103.2° | 35.1° |
| C02 | C01 | C06 | H011 | 180.0° | 179.9° |
| C02 | C01 | C06 | C05 | 0.0° | 0.0° |
| C01 | C02 | C03 | H031 | 179.9° | 179.9° |
| C02 | C01 | C06 | H061 | 179.9° | 180.0° |
| O13 | C12 | N11 | C08 | 1.3° | 4.6° |
| O13 | C12 | C14 | H142 | 124.9° | 120.0° |
| O13 | C12 | C14 | H141 | 6.7° | 120.0° |
| O13 | C12 | N11 | H111 | 178.8° | 175.5° |
| C12 | N11 | C08 | H111 | 180.0° | 179.9° |
| C12 | N11 | C08 | C09 | 104.0° | 35.4° |
| N11 | C12 | C14 | H142 | 53.1° | 60.0° |
| N11 | C12 | C14 | H141 | 171.2° | 60.0° |
| N11 | C08 | C09 | C10 | 179.5° | 179.8° |
| N11 | C08 | C07 | H071 | 0.5° | 0.2° |
| N11 | C08 | C09 | H091 | 0.5° | 0.2° |
| C20 | C21 | C22 | H212 | 120.3° | 120.0° |
| C20 | C21 | C22 | H211 | 120.3° | 120.0° |
| C20 | C21 | C22 | O23 | 176.2° | 180.0° |
| C21 | C20 | H202 | H201 | 119.5° | 120.0° |
| C20 | C21 | H212 | H211 | 119.2° | 120.0° |
| C20 | C21 | C22 | H221 | 63.9° | 60.0° |
| C20 | C21 | C22 | H222 | 56.3° | 60.0° |
| C21 | C20 | N17 | H172 | 145.2° | 56.1° |
| C04 | C05 | C06 | C01 | 0.1° | 0.0° |
| C04 | C05 | C06 | C10 | 179.9° | 180.0° |
| C04 | C05 | C10 | C09 | 0.0° | 0.2° |
| C04 | C05 | C10 | H101 | 180.0° | 180.0° |
| C05 | C04 | C03 | H031 | 179.9° | 179.9° |
| C04 | C05 | C06 | H061 | 179.9° | 180.0° |
| C05 | C04 | C07 | H071 | 179.9° | 180.0° |
| C15 | C16 | O19 | O18 | 179.0° | 179.9° |
| C16 | C15 | C14 | H142 | 95.9° | 65.0° |
| C16 | C15 | C14 | H141 | 146.0° | 55.0° |
| C16 | C15 | N17 | H172 | 156.7° | 151.1° |
| C15 | C16 | O18 | H2 | 179.0° | 180.0° |
| C08 | C09 | C10 | C05 | 0.2° | 0.2° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | H101 | 179.7° | 180.0° |
| C09 | C08 | C07 | H071 | 179.6° | 180.0° |
| C09 | C08 | N11 | H111 | 75.9° | 144.7° |
| C21 | C22 | O23 | H221 | 119.9° | 120.0° |
| C21 | C22 | O23 | H222 | 119.9° | 120.0° |
| C22 | C21 | C20 | H202 | 110.6° | 60.0° |
| C22 | C21 | C20 | H201 | 9.1° | 60.0° |
| C22 | C21 | H212 | H211 | 119.2° | 120.0° |
| C21 | C22 | H221 | H222 | 120.2° | 120.0° |
| C21 | C22 | O23 | H231 | 180.0° | 180.0° |
| O19 | C16 | C15 | H151 | 169.2° | 120.0° |
| O19 | C16 | O18 | H2 | 0.0° | 0.1° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | C10 | 180.0° | 180.0° |
| C06 | C01 | C02 | H021 | 179.9° | 179.9° |
| O18 | C16 | C15 | H151 | 11.8° | 60.1° |
| C06 | C05 | C10 | C09 | 179.9° | 179.8° |
| C06 | C05 | C10 | H101 | 0.1° | 0.0° |
| C05 | C06 | C01 | H011 | 180.0° | 179.9° |
| C05 | C10 | C09 | H101 | 180.0° | 179.7° |
| C10 | C05 | C06 | H061 | 0.0° | 0.0° |
| C05 | C10 | C09 | H091 | 179.8° | 179.7° |
| O23 | C22 | C21 | H212 | 55.9° | 60.0° |
| O23 | C22 | C21 | H211 | 63.6° | 60.0° |
| O23 | C22 | H221 | H222 | 120.2° | 120.0° |
| H101 | C10 | C09 | H091 | 0.3° | 0.0° |
| H151 | C15 | C14 | H142 | 142.2° | 175.0° |
| H151 | C15 | C14 | H141 | 24.1° | 65.0° |
| H151 | C15 | N17 | H172 | 85.9° | 89.0° |
| H202 | C20 | C21 | H212 | 129.2° | 60.0° |
| H202 | C20 | C21 | H211 | 9.7° | 180.0° |
| H202 | C20 | N17 | H172 | 25.0° | 176.1° |
| H201 | C20 | C21 | H212 | 111.1° | 180.0° |
| H201 | C20 | C21 | H211 | 129.4° | 60.0° |
| H201 | C20 | N17 | H172 | 94.7° | 63.9° |
| H212 | C21 | C22 | H221 | 175.8° | 180.0° |
| H212 | C21 | C22 | H222 | 64.0° | 60.0° |
| H211 | C21 | C22 | H221 | 56.4° | 60.0° |
| H211 | C21 | C22 | H222 | 176.5° | 180.0° |
| H221 | C22 | O23 | H231 | 60.1° | 60.0° |
| H222 | C22 | O23 | H231 | 60.1° | 60.0° |
| H011 | C01 | C02 | H021 | 0.1° | 0.0° |
| H011 | C01 | C06 | H061 | 0.1° | 0.1° |
| H021 | C02 | C03 | H031 | 0.1° | 0.1° |
