A1LVE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.46Å | 1.45Å | |
| N01 | C06 | sing | 1.34Å | 1.48Å | |
| C02 | C03 | sing | 1.50Å | 1.53Å | |
| C02 | C07 | sing | 1.53Å | 1.54Å | |
| C03 | N04 | sing | 1.34Å | 1.46Å | |
| C03 | O16 | doub | 1.21Å | 1.19Å | |
| N04 | C05 | sing | 1.46Å | 1.45Å | |
| C05 | C06 | sing | 1.50Å | 1.53Å | |
| C05 | C11 | sing | 1.53Å | 1.55Å | |
| C06 | O15 | doub | 1.21Å | 1.18Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C07 | C09 | sing | 1.53Å | 1.55Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | O17 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| O17 | H171 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N01 | C06 | 122.3° | 122.9° |
| N01 | C02 | C03 | 110.5° | 111.2° |
| N01 | C02 | C07 | 108.3° | 109.1° |
| N01 | C02 | H021 | 109.6° | 109.1° |
| C02 | N01 | H011 | 118.9° | 118.5° |
| N01 | C06 | C05 | 120.2° | 122.7° |
| N01 | C06 | O15 | 121.5° | 118.6° |
| C06 | N01 | H011 | 118.8° | 118.6° |
| C03 | C02 | C07 | 111.2° | 109.1° |
| C02 | C03 | N04 | 120.0° | 122.7° |
| C02 | C03 | O16 | 120.5° | 118.6° |
| C03 | C02 | H021 | 108.7° | 109.1° |
| C02 | C07 | C08 | 111.0° | 109.5° |
| C02 | C07 | C09 | 110.8° | 109.5° |
| C07 | C02 | H021 | 108.5° | 109.1° |
| C02 | C07 | H071 | 108.6° | 109.4° |
| N04 | C03 | O16 | 119.5° | 118.7° |
| C03 | N04 | C05 | 123.5° | 122.9° |
| C03 | N04 | H041 | 118.3° | 118.6° |
| N04 | C05 | C06 | 109.9° | 111.3° |
| N04 | C05 | C11 | 109.9° | 109.1° |
| N04 | C05 | H051 | 109.3° | 109.1° |
| C05 | N04 | H041 | 118.3° | 118.6° |
| C06 | C05 | C11 | 111.5° | 109.1° |
| C05 | C06 | O15 | 118.3° | 118.6° |
| C06 | C05 | H051 | 108.2° | 109.1° |
| C05 | C11 | C12 | 111.8° | 109.5° |
| C11 | C05 | H051 | 108.0° | 109.1° |
| C05 | C11 | H112 | 108.9° | 109.5° |
| C05 | C11 | H111 | 108.9° | 109.4° |
| C08 | C07 | C09 | 109.1° | 109.5° |
| C08 | C07 | H071 | 108.8° | 109.5° |
| C07 | C08 | H081 | 109.5° | 109.4° |
| C07 | C08 | H082 | 109.5° | 109.4° |
| C07 | C08 | H083 | 109.4° | 109.5° |
| C07 | C09 | C10 | 111.0° | 109.5° |
| C09 | C07 | H071 | 108.4° | 109.5° |
| C07 | C09 | H091 | 109.1° | 109.5° |
| C07 | C09 | H092 | 109.1° | 109.5° |
| C09 | C10 | O17 | 109.7° | 109.5° |
| C10 | C09 | H091 | 109.1° | 109.5° |
| C10 | C09 | H092 | 109.1° | 109.5° |
| C09 | C10 | H101 | 109.4° | 109.5° |
| C09 | C10 | H102 | 109.4° | 109.5° |
| O17 | C10 | H101 | 109.4° | 109.5° |
| O17 | C10 | H102 | 109.4° | 109.4° |
| C10 | O17 | H171 | 109.5° | 114.1° |
| C11 | C12 | C13 | 111.2° | 109.5° |
| C11 | C12 | C14 | 109.3° | 109.5° |
| C12 | C11 | H112 | 108.9° | 109.5° |
| C12 | C11 | H111 | 108.9° | 109.5° |
| C11 | C12 | H121 | 109.6° | 109.5° |
| C13 | C12 | C14 | 107.0° | 109.5° |
| C13 | C12 | H121 | 109.9° | 109.4° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H131 | 109.4° | 109.4° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C14 | C12 | H121 | 109.8° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.4° |
| C12 | C14 | H143 | 109.5° | 109.5° |
| C12 | C14 | H142 | 109.4° | 109.4° |
| H081 | C08 | H082 | 109.4° | 109.5° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H082 | C08 | H083 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.4° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.6° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | N01 | C06 | H011 | 180.0° | 180.0° |
| N01 | C02 | C03 | C07 | 120.4° | 120.5° |
| N01 | C02 | C03 | H021 | 120.2° | 120.4° |
| N01 | C02 | C07 | H021 | 118.9° | 119.1° |
| N01 | C02 | C03 | N04 | 28.2° | 19.7° |
| N01 | C02 | C03 | O16 | 151.2° | 160.3° |
| C02 | N01 | C06 | C05 | 1.2° | 0.1° |
| C02 | N01 | C06 | O15 | 179.0° | 180.0° |
| N01 | C02 | C07 | C08 | 178.3° | 178.2° |
| N01 | C02 | C07 | C09 | 60.2° | 58.2° |
| N01 | C02 | C07 | H071 | 58.8° | 61.8° |
| C06 | N01 | C02 | C03 | 28.9° | 19.5° |
| C06 | N01 | C02 | C07 | 93.2° | 101.0° |
| N01 | C06 | C05 | N04 | 28.0° | 19.6° |
| N01 | C06 | C05 | O15 | 179.8° | 179.9° |
| N01 | C06 | C05 | C11 | 94.1° | 100.8° |
| C06 | N01 | C02 | H021 | 148.6° | 139.9° |
| N01 | C06 | C05 | H051 | 147.3° | 140.1° |
| C03 | C02 | C07 | H021 | 119.5° | 119.1° |
| C02 | C03 | N04 | O16 | 179.4° | 180.0° |
| C02 | C03 | N04 | C05 | 1.4° | 0.0° |
| C03 | C02 | C07 | C08 | 56.7° | 60.0° |
| C03 | C02 | C07 | C09 | 178.1° | 180.0° |
| C03 | C02 | C07 | H071 | 62.9° | 60.0° |
| C03 | C02 | N01 | H011 | 151.1° | 160.5° |
| C02 | C03 | N04 | H041 | 178.6° | 179.9° |
| C07 | C02 | C03 | N04 | 92.2° | 100.8° |
| C07 | C02 | C03 | O16 | 88.4° | 79.2° |
| C02 | C07 | C08 | C09 | 122.4° | 120.0° |
| C02 | C07 | C08 | H071 | 119.4° | 120.0° |
| C02 | C07 | C09 | H071 | 119.1° | 120.0° |
| C02 | C07 | C09 | C10 | 61.2° | 175.0° |
| C02 | C07 | C08 | H081 | 180.0° | 180.0° |
| C02 | C07 | C08 | H082 | 60.0° | 60.0° |
| C02 | C07 | C08 | H083 | 60.0° | 60.0° |
| C02 | C07 | C09 | H091 | 59.1° | 65.0° |
| C02 | C07 | C09 | H092 | 178.6° | 55.0° |
| C07 | C02 | N01 | H011 | 86.8° | 79.0° |
| C03 | N04 | C05 | H041 | 180.0° | 179.9° |
| C03 | N04 | C05 | C06 | 29.1° | 19.4° |
| C03 | N04 | C05 | C11 | 94.0° | 101.1° |
| N04 | C03 | C02 | H021 | 148.5° | 140.1° |
| C03 | N04 | C05 | H051 | 147.7° | 139.9° |
| O16 | C03 | N04 | C05 | 179.2° | 180.0° |
| O16 | C03 | C02 | H021 | 31.0° | 40.0° |
| O16 | C03 | N04 | H041 | 0.8° | 0.1° |
| N04 | C05 | C06 | C11 | 122.1° | 120.4° |
| N04 | C05 | C06 | H051 | 119.3° | 120.4° |
| N04 | C05 | C11 | H051 | 119.1° | 119.1° |
| N04 | C05 | C06 | O15 | 151.8° | 160.3° |
| N04 | C05 | C11 | C12 | 162.2° | 61.7° |
| N04 | C05 | C11 | H112 | 41.9° | 58.3° |
| N04 | C05 | C11 | H111 | 77.4° | 178.3° |
| C06 | C05 | C11 | H051 | 118.8° | 119.1° |
| C06 | C05 | C11 | C12 | 75.7° | 176.5° |
| C06 | C05 | C11 | H112 | 164.0° | 63.5° |
| C06 | C05 | C11 | H111 | 44.7° | 56.5° |
| C05 | C06 | N01 | H011 | 178.8° | 179.9° |
| C06 | C05 | N04 | H041 | 150.9° | 160.5° |
| C11 | C05 | C06 | O15 | 86.1° | 79.3° |
| C05 | C11 | C12 | H112 | 120.4° | 120.0° |
| C05 | C11 | C12 | H111 | 120.4° | 119.9° |
| C05 | C11 | C12 | C13 | 59.7° | 174.2° |
| C05 | C11 | C12 | C14 | 177.6° | 65.8° |
| C05 | C11 | H112 | H111 | 118.9° | 119.9° |
| C05 | C11 | C12 | H121 | 62.0° | 54.2° |
| C11 | C05 | N04 | H041 | 86.0° | 79.0° |
| O15 | C06 | C05 | H051 | 32.5° | 39.9° |
| O15 | C06 | N01 | H011 | 1.0° | 0.0° |
| C08 | C07 | C09 | H071 | 118.4° | 120.0° |
| C08 | C07 | C09 | C10 | 61.4° | 65.0° |
| C08 | C07 | C02 | H021 | 62.8° | 59.1° |
| C07 | C08 | H081 | H082 | 120.0° | 119.9° |
| C07 | C08 | H081 | H083 | 120.0° | 120.0° |
| C07 | C08 | H082 | H083 | 120.0° | 120.0° |
| C08 | C07 | C09 | H091 | 178.4° | 55.0° |
| C08 | C07 | C09 | H092 | 58.8° | 175.0° |
| C07 | C09 | C10 | H091 | 120.2° | 120.0° |
| C07 | C09 | C10 | H092 | 120.2° | 120.0° |
| C07 | C09 | C10 | O17 | 81.9° | 180.0° |
| C09 | C07 | C02 | H021 | 58.7° | 60.9° |
| C09 | C07 | C08 | H081 | 57.6° | 60.0° |
| C09 | C07 | C08 | H082 | 177.6° | 180.0° |
| C09 | C07 | C08 | H083 | 62.4° | 60.0° |
| C07 | C09 | H091 | H092 | 119.3° | 120.0° |
| C07 | C09 | C10 | H101 | 158.1° | 60.0° |
| C07 | C09 | C10 | H102 | 38.2° | 60.0° |
| C09 | C10 | O17 | H101 | 120.0° | 120.0° |
| C09 | C10 | O17 | H102 | 120.1° | 120.0° |
| C10 | C09 | C07 | H071 | 179.8° | 55.0° |
| C10 | C09 | H091 | H092 | 119.3° | 120.0° |
| C09 | C10 | H101 | H102 | 119.9° | 120.0° |
| C09 | C10 | O17 | H171 | 180.0° | 180.0° |
| O17 | C10 | C09 | H091 | 38.3° | 60.0° |
| O17 | C10 | C09 | H092 | 157.9° | 60.0° |
| O17 | C10 | H101 | H102 | 119.9° | 120.0° |
| C11 | C12 | C13 | C14 | 119.3° | 120.0° |
| C11 | C12 | C13 | H121 | 121.5° | 120.0° |
| C11 | C12 | C14 | H121 | 120.2° | 120.1° |
| C12 | C11 | C05 | H051 | 43.1° | 57.3° |
| C12 | C11 | H112 | H111 | 118.9° | 120.1° |
| C11 | C12 | C13 | H132 | 180.0° | 176.9° |
| C11 | C12 | C13 | H131 | 60.0° | 63.1° |
| C11 | C12 | C13 | H133 | 60.0° | 56.9° |
| C11 | C12 | C14 | H141 | 180.0° | 60.0° |
| C11 | C12 | C14 | H143 | 60.0° | 179.9° |
| C11 | C12 | C14 | H142 | 60.0° | 60.0° |
| C13 | C12 | C14 | H121 | 119.3° | 119.9° |
| C13 | C12 | C11 | H112 | 60.7° | 54.2° |
| C13 | C12 | C11 | H111 | 180.0° | 65.8° |
| C12 | C13 | H132 | H131 | 120.0° | 119.9° |
| C12 | C13 | H132 | H133 | 120.0° | 120.1° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C13 | C12 | C14 | H141 | 59.5° | 180.0° |
| C13 | C12 | C14 | H143 | 60.5° | 59.9° |
| C13 | C12 | C14 | H142 | 179.6° | 60.0° |
| C14 | C12 | C11 | H112 | 57.2° | 174.2° |
| C14 | C12 | C11 | H111 | 62.1° | 54.1° |
| C14 | C12 | C13 | H132 | 60.7° | 56.9° |
| C14 | C12 | C13 | H131 | 179.3° | 176.9° |
| C14 | C12 | C13 | H133 | 59.3° | 63.1° |
| C12 | C14 | H141 | H143 | 120.0° | 120.0° |
| C12 | C14 | H141 | H142 | 120.0° | 119.9° |
| C12 | C14 | H143 | H142 | 119.9° | 119.9° |
| H021 | C02 | C07 | H071 | 177.6° | 179.1° |
| H021 | C02 | N01 | H011 | 31.4° | 40.2° |
| H051 | C05 | C11 | H112 | 77.2° | 177.4° |
| H051 | C05 | C11 | H111 | 163.5° | 62.7° |
| H051 | C05 | N04 | H041 | 32.3° | 40.1° |
| H071 | C07 | C08 | H081 | 60.5° | 60.0° |
| H071 | C07 | C08 | H082 | 59.4° | 59.9° |
| H071 | C07 | C08 | H083 | 179.4° | 180.0° |
| H071 | C07 | C09 | H091 | 60.0° | 175.0° |
| H071 | C07 | C09 | H092 | 59.6° | 65.0° |
| H081 | C08 | H082 | H083 | 120.0° | 120.0° |
| H091 | C09 | C10 | H101 | 81.7° | 180.0° |
| H091 | C09 | C10 | H102 | 158.4° | 60.0° |
| H092 | C09 | C10 | H101 | 37.9° | 60.0° |
| H092 | C09 | C10 | H102 | 82.1° | NaN° |
| H101 | C10 | O17 | H171 | 59.9° | 59.9° |
| H102 | C10 | O17 | H171 | 60.0° | 60.0° |
| H112 | C11 | C12 | H121 | 177.6° | 65.8° |
| H111 | C11 | C12 | H121 | 58.3° | 174.2° |
| H121 | C12 | C13 | H132 | 58.5° | 63.0° |
| H121 | C12 | C13 | H131 | 61.5° | 56.9° |
| H121 | C12 | C13 | H133 | 178.5° | 176.9° |
| H121 | C12 | C14 | H141 | 59.8° | 60.1° |
| H121 | C12 | C14 | H143 | 179.8° | 60.0° |
| H121 | C12 | C14 | H142 | 60.3° | 179.9° |
| H132 | C13 | H131 | H133 | 120.0° | 120.0° |
| H141 | C14 | H143 | H142 | 120.0° | 120.1° |
