A1L3W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.46Å | 1.48Å | |
| C03 | N02 | sing | 1.39Å | 1.28Å | |
| C05 | N04 | sing | 1.47Å | 1.49Å | |
| O06 | C05 | sing | 1.43Å | 1.47Å | |
| C07 | O06 | sing | 1.43Å | 1.48Å | |
| O09 | C08 | sing | 1.43Å | 1.46Å | |
| C08 | C07 | sing | 1.53Å | 1.50Å | |
| C10 | C07 | sing | 1.53Å | 1.55Å | |
| C12 | O11 | sing | 1.35Å | 1.41Å | |
| N13 | C12 | sing | 1.35Å | 1.49Å | |
| O14 | C12 | doub | 1.22Å | 1.18Å | |
| O11 | C10 | sing | 1.45Å | 1.45Å | |
| C15 | C10 | sing | 1.53Å | 1.47Å | |
| O16 | C15 | sing | 1.43Å | 1.47Å | |
| C17 | C15 | sing | 1.53Å | 1.48Å | |
| N18 | C17 | sing | 1.47Å | 1.50Å | |
| N04 | C03 | doub | 1.30Å | 1.27Å | |
| N19 | C03 | sing | 1.39Å | 1.27Å | |
| C20 | N19 | sing | 1.45Å | 1.47Å | |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| O22 | C21 | sing | 1.43Å | 1.41Å | |
| C23 | C21 | sing | 1.53Å | 1.55Å | |
| N24 | C23 | sing | 1.45Å | 1.48Å | |
| C25 | N24 | sing | 1.36Å | 1.37Å | |
| O26 | C25 | doub | 1.21Å | 1.21Å | |
| C01 | C20 | sing | 1.56Å | 1.53Å | |
| C01 | C25 | sing | 1.50Å | 1.51Å | |
| C05 | C17 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| N13 | H132 | sing | 0.97Å | 1.00Å | |
| N18 | H182 | sing | 1.01Å | 1.00Å | |
| N18 | H1 | sing | 1.01Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| O09 | H091 | sing | 0.97Å | 0.95Å | |
| O16 | H161 | sing | 0.97Å | 0.95Å | |
| O22 | H221 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 114.4° | 104.7° |
| N02 | C01 | C20 | 100.4° | 100.1° |
| N02 | C01 | C25 | 130.3° | 117.4° |
| N02 | C01 | H011 | 107.3° | 112.0° |
| C01 | N02 | H021 | 122.8° | 127.6° |
| N02 | C03 | N04 | 130.9° | 124.4° |
| N02 | C03 | N19 | 109.7° | 111.1° |
| C03 | N02 | H021 | 122.8° | 127.7° |
| N04 | C05 | O06 | 113.4° | 109.5° |
| C05 | N04 | C03 | 122.9° | 120.0° |
| N04 | C05 | C17 | 105.9° | 109.4° |
| N04 | C05 | H051 | 108.5° | 109.5° |
| C05 | O06 | C07 | 110.5° | 114.1° |
| O06 | C05 | C17 | 112.1° | 109.4° |
| O06 | C05 | H051 | 108.8° | 109.6° |
| O06 | C07 | C08 | 110.2° | 109.5° |
| O06 | C07 | C10 | 110.7° | 109.4° |
| O06 | C07 | H071 | 109.1° | 109.5° |
| O09 | C08 | C07 | 110.2° | 109.5° |
| O09 | C08 | H082 | 109.3° | 109.5° |
| O09 | C08 | H081 | 109.3° | 109.5° |
| C08 | O09 | H091 | 109.5° | 114.0° |
| C08 | C07 | C10 | 109.7° | 109.5° |
| C08 | C07 | H071 | 108.8° | 109.5° |
| C07 | C08 | H082 | 109.3° | 109.4° |
| C07 | C08 | H081 | 109.3° | 109.5° |
| C07 | C10 | O11 | 109.0° | 109.5° |
| C07 | C10 | C15 | 112.3° | 109.2° |
| C07 | C10 | H101 | 108.2° | 109.5° |
| C10 | C07 | H071 | 108.2° | 109.5° |
| O11 | C12 | N13 | 120.7° | 120.0° |
| O11 | C12 | O14 | 120.0° | 120.0° |
| C12 | O11 | C10 | 114.8° | 117.0° |
| N13 | C12 | O14 | 119.3° | 120.0° |
| C12 | N13 | H131 | 120.0° | 120.0° |
| C12 | N13 | H132 | 120.0° | 120.0° |
| O11 | C10 | C15 | 108.9° | 109.6° |
| O11 | C10 | H101 | 109.3° | 109.5° |
| C10 | C15 | O16 | 109.7° | 109.6° |
| C10 | C15 | C17 | 112.3° | 109.0° |
| C15 | C10 | H101 | 109.1° | 109.5° |
| C10 | C15 | H151 | 108.9° | 109.6° |
| O16 | C15 | C17 | 108.2° | 109.6° |
| O16 | C15 | H151 | 108.9° | 109.5° |
| C15 | O16 | H161 | 109.5° | 114.0° |
| C15 | C17 | N18 | 109.6° | 109.5° |
| C15 | C17 | C05 | 112.4° | 109.1° |
| C17 | C15 | H151 | 108.7° | 109.6° |
| C15 | C17 | H171 | 109.0° | 109.5° |
| N18 | C17 | C05 | 108.5° | 109.6° |
| N18 | C17 | H171 | 108.9° | 109.6° |
| C17 | N18 | H182 | 109.5° | 110.9° |
| C17 | N18 | H1 | 109.5° | 111.0° |
| N04 | C03 | N19 | 119.4° | 124.5° |
| C03 | N19 | C20 | 114.3° | 107.1° |
| C03 | N19 | H191 | 122.8° | 126.4° |
| N19 | C20 | C21 | 130.6° | 119.9° |
| N19 | C20 | C01 | 101.1° | 102.1° |
| N19 | C20 | H201 | 104.6° | 109.3° |
| C20 | N19 | H191 | 122.8° | 126.4° |
| C20 | C21 | O22 | 112.3° | 109.5° |
| C20 | C21 | C23 | 106.2° | 109.4° |
| C21 | C20 | C01 | 109.8° | 106.4° |
| C21 | C20 | H201 | 104.2° | 109.3° |
| C20 | C21 | H211 | 108.6° | 109.5° |
| O22 | C21 | C23 | 111.3° | 109.5° |
| O22 | C21 | H211 | 110.1° | 109.4° |
| C21 | O22 | H221 | 109.5° | 114.0° |
| C21 | C23 | N24 | 116.8° | 114.8° |
| C23 | C21 | H211 | 108.2° | 109.5° |
| C21 | C23 | H231 | 107.6° | 108.4° |
| C21 | C23 | H232 | 107.6° | 108.4° |
| C23 | N24 | C25 | 123.1° | 122.8° |
| N24 | C23 | H231 | 107.6° | 108.4° |
| N24 | C23 | H232 | 107.6° | 108.3° |
| C23 | N24 | H241 | 118.4° | 118.8° |
| N24 | C25 | O26 | 122.1° | 123.1° |
| N24 | C25 | C01 | 110.8° | 113.6° |
| C25 | N24 | H241 | 118.5° | 118.4° |
| O26 | C25 | C01 | 127.1° | 123.2° |
| C20 | C01 | C25 | 103.0° | 103.3° |
| C01 | C20 | H201 | 104.0° | 109.2° |
| C20 | C01 | H011 | 106.7° | 111.7° |
| C25 | C01 | H011 | 107.0° | 111.3° |
| C05 | C17 | H171 | 108.4° | 109.5° |
| C17 | C05 | H051 | 108.0° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 108.3° |
| H131 | N13 | H132 | 120.0° | 120.0° |
| H182 | N18 | H1 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | H021 | 180.0° | 180.0° |
| C01 | N02 | C03 | N04 | 178.6° | 154.5° |
| C01 | N02 | C03 | N19 | 0.8° | 25.5° |
| N02 | C01 | C20 | N19 | 3.3° | 35.2° |
| N02 | C01 | C20 | C21 | 144.1° | 161.6° |
| N02 | C01 | C25 | N24 | 168.2° | 154.0° |
| N02 | C01 | C25 | O26 | 11.7° | 25.8° |
| N02 | C01 | C20 | C25 | 135.8° | 121.5° |
| N02 | C01 | C20 | H011 | 111.8° | 118.8° |
| N02 | C01 | C25 | H011 | 131.7° | 130.9° |
| N02 | C01 | C20 | H201 | 104.9° | 80.5° |
| N02 | C03 | N04 | C05 | 0.9° | 0.1° |
| N02 | C03 | N04 | N19 | 179.4° | 179.9° |
| N02 | C03 | N19 | C20 | 1.8° | 1.4° |
| C03 | N02 | C01 | C20 | 2.8° | 36.5° |
| C03 | N02 | C01 | C25 | 119.9° | 147.4° |
| C03 | N02 | C01 | H011 | 108.4° | 82.1° |
| N02 | C03 | N19 | H191 | 178.2° | 178.5° |
| N04 | C05 | O06 | C17 | 119.8° | 119.9° |
| N04 | C05 | O06 | H051 | 120.8° | 120.1° |
| N04 | C05 | O06 | C07 | 176.3° | 178.9° |
| N04 | C05 | C17 | C15 | 176.8° | 177.6° |
| N04 | C05 | C17 | N18 | 61.9° | 62.5° |
| C05 | N04 | C03 | N19 | 179.7° | 179.9° |
| N04 | C05 | C17 | H051 | 116.1° | 120.0° |
| N04 | C05 | C17 | H171 | 56.2° | 57.7° |
| C05 | O06 | C07 | C08 | 178.9° | 178.8° |
| C05 | O06 | C07 | C10 | 57.4° | 61.2° |
| O06 | C05 | C17 | C15 | 52.7° | 57.6° |
| O06 | C05 | C17 | N18 | 174.0° | 177.5° |
| O06 | C05 | N04 | C03 | 85.1° | 120.0° |
| O06 | C05 | C17 | H051 | 119.8° | 120.1° |
| O06 | C05 | C17 | H171 | 67.9° | 62.3° |
| C05 | O06 | C07 | H071 | 61.6° | 58.8° |
| O06 | C07 | C08 | O09 | 96.7° | 65.1° |
| O06 | C07 | C08 | C10 | 122.1° | 119.9° |
| O06 | C07 | C08 | H071 | 119.6° | 120.0° |
| O06 | C07 | C10 | H071 | 119.5° | 120.0° |
| O06 | C07 | C10 | O11 | 65.3° | 62.4° |
| O06 | C07 | C10 | C15 | 55.5° | 57.6° |
| C07 | O06 | C05 | C17 | 56.5° | 61.2° |
| O06 | C07 | C10 | H101 | 176.0° | 177.5° |
| C07 | O06 | C05 | H051 | 62.9° | 58.8° |
| O06 | C07 | C08 | H082 | 23.4° | 174.9° |
| O06 | C07 | C08 | H081 | 143.2° | 54.9° |
| O09 | C08 | C07 | H082 | 120.1° | 120.0° |
| O09 | C08 | C07 | H081 | 120.1° | 120.0° |
| O09 | C08 | C07 | C10 | 141.2° | 175.0° |
| O09 | C08 | C07 | H071 | 22.9° | 55.0° |
| O09 | C08 | H082 | H081 | 119.7° | 120.0° |
| C08 | C07 | C10 | H071 | 118.6° | 120.0° |
| C08 | C07 | C10 | O11 | 56.6° | 57.6° |
| C08 | C07 | C10 | C15 | 177.4° | 177.6° |
| C08 | C07 | C10 | H101 | 62.2° | 62.6° |
| C07 | C08 | H082 | H081 | 119.7° | 120.0° |
| C07 | C08 | O09 | H091 | 180.0° | 180.0° |
| C07 | C10 | O11 | C12 | 145.7° | 90.0° |
| C07 | C10 | O11 | C15 | 122.8° | 119.7° |
| C07 | C10 | O11 | H101 | 118.0° | 120.1° |
| C07 | C10 | C15 | H101 | 119.9° | 119.9° |
| C07 | C10 | C15 | O16 | 68.8° | 62.9° |
| C07 | C10 | C15 | C17 | 51.6° | 57.0° |
| C07 | C10 | C15 | H151 | 172.1° | 176.9° |
| C10 | C07 | C08 | H082 | 98.7° | 55.0° |
| C10 | C07 | C08 | H081 | 21.1° | 65.0° |
| O11 | C12 | N13 | O14 | 180.0° | 180.0° |
| C12 | O11 | C10 | C15 | 91.5° | 150.2° |
| C12 | O11 | C10 | H101 | 27.7° | 30.1° |
| O11 | C12 | N13 | H131 | 180.0° | 0.0° |
| O11 | C12 | N13 | H132 | 0.0° | 180.0° |
| N13 | C12 | O11 | C10 | 176.7° | 180.0° |
| C12 | N13 | H131 | H132 | 180.0° | 180.0° |
| O14 | C12 | O11 | C10 | 3.3° | 0.0° |
| O14 | C12 | N13 | H131 | 0.0° | 180.0° |
| O14 | C12 | N13 | H132 | 180.0° | 0.0° |
| O11 | C10 | C15 | H101 | 119.3° | 120.2° |
| O11 | C10 | C15 | O16 | 170.4° | 177.1° |
| O11 | C10 | C15 | C17 | 69.2° | 63.0° |
| O11 | C10 | C15 | H151 | 51.3° | 56.9° |
| O11 | C10 | C07 | H071 | 175.2° | 177.7° |
| C10 | C15 | O16 | C17 | 122.8° | 119.6° |
| C10 | C15 | O16 | H151 | 119.1° | 120.2° |
| C10 | C15 | C17 | H151 | 120.6° | 119.9° |
| C10 | C15 | C17 | N18 | 170.7° | 176.9° |
| C10 | C15 | C17 | C05 | 50.0° | 57.0° |
| C10 | C15 | C17 | H171 | 70.2° | 62.9° |
| C15 | C10 | C07 | H071 | 64.0° | 62.4° |
| C10 | C15 | O16 | H161 | 180.0° | 180.0° |
| O16 | C15 | C17 | H151 | 118.1° | 120.2° |
| O16 | C15 | C17 | N18 | 49.5° | 57.0° |
| O16 | C15 | C17 | C05 | 71.2° | 62.9° |
| O16 | C15 | C10 | H101 | 51.1° | 57.0° |
| O16 | C15 | C17 | H171 | 168.6° | 177.2° |
| C15 | C17 | N18 | C05 | 123.0° | 119.7° |
| C15 | C17 | N18 | H171 | 119.2° | 120.1° |
| C15 | C17 | C05 | H171 | 120.6° | 119.9° |
| C17 | C15 | C10 | H101 | 171.5° | 176.9° |
| C15 | C17 | C05 | H051 | 67.1° | 62.4° |
| C15 | C17 | N18 | H182 | 180.0° | 180.0° |
| C15 | C17 | N18 | H1 | 60.0° | 56.1° |
| C17 | C15 | O16 | H161 | 57.2° | 60.5° |
| N18 | C17 | C05 | H171 | 118.1° | 120.2° |
| N18 | C17 | C15 | H151 | 68.7° | 63.2° |
| N18 | C17 | C05 | H051 | 54.2° | 57.4° |
| C17 | N18 | H182 | H1 | 120.0° | 123.9° |
| N04 | C03 | N19 | C20 | 178.7° | 178.7° |
| C03 | N04 | C05 | C17 | 151.7° | 120.0° |
| C03 | N04 | C05 | H051 | 35.9° | 0.1° |
| N04 | C03 | N02 | H021 | 1.4° | 25.4° |
| N04 | C03 | N19 | H191 | 1.3° | 1.4° |
| C03 | N19 | C20 | H191 | 180.0° | 179.9° |
| C03 | N19 | C20 | C21 | 131.8° | 138.6° |
| C03 | N19 | C20 | C01 | 3.4° | 21.4° |
| C03 | N19 | C20 | H201 | 104.3° | 94.2° |
| N19 | C03 | N02 | H021 | 179.2° | 154.5° |
| N19 | C20 | C21 | C01 | 125.2° | 114.9° |
| N19 | C20 | C21 | H201 | 124.0° | 127.3° |
| N19 | C20 | C21 | O22 | 49.7° | 46.1° |
| N19 | C20 | C21 | C23 | 171.5° | 166.2° |
| N19 | C20 | C01 | H201 | 108.2° | 115.7° |
| N19 | C20 | C01 | C25 | 139.1° | 156.7° |
| N19 | C20 | C21 | H211 | 72.4° | 73.9° |
| N19 | C20 | C01 | H011 | 108.4° | 83.6° |
| C20 | C21 | O22 | C23 | 118.9° | 119.9° |
| C20 | C21 | O22 | H211 | 121.2° | 120.1° |
| C20 | C21 | C23 | H211 | 116.4° | 120.0° |
| C20 | C21 | C23 | N24 | 7.1° | 1.6° |
| C21 | C20 | C01 | H201 | 111.0° | 117.8° |
| C21 | C20 | C01 | C25 | 80.1° | 76.8° |
| C21 | C20 | C01 | H011 | 32.4° | 42.9° |
| C20 | C21 | C23 | H231 | 114.0° | 119.7° |
| C20 | C21 | C23 | H232 | 128.1° | 122.9° |
| C21 | C20 | N19 | H191 | 48.1° | 41.5° |
| C20 | C21 | O22 | H221 | 180.0° | 180.0° |
| O22 | C21 | C23 | H211 | 121.1° | 120.0° |
| O22 | C21 | C23 | N24 | 129.5° | 121.7° |
| O22 | C21 | C20 | C01 | 75.6° | 68.8° |
| O22 | C21 | C20 | H201 | 173.6° | 173.4° |
| O22 | C21 | C23 | H231 | 8.4° | 0.3° |
| O22 | C21 | C23 | H232 | 109.5° | 117.1° |
| C21 | C23 | N24 | H231 | 121.1° | 121.4° |
| C21 | C23 | N24 | H232 | 121.0° | 121.4° |
| C21 | C23 | N24 | C25 | 33.8° | 36.2° |
| C23 | C21 | C20 | C01 | 46.3° | 51.2° |
| C23 | C21 | C20 | H201 | 64.5° | 66.6° |
| C21 | C23 | H231 | H232 | 116.7° | 117.5° |
| C21 | C23 | N24 | H241 | 146.2° | 144.7° |
| C23 | C21 | O22 | H221 | 61.1° | 60.1° |
| C23 | N24 | C25 | H241 | 180.0° | 179.1° |
| C23 | N24 | C25 | O26 | 179.9° | 170.8° |
| C23 | N24 | C25 | C01 | 0.3° | 9.4° |
| N24 | C23 | C21 | H211 | 109.4° | 118.4° |
| N24 | C23 | H231 | H232 | 116.7° | 117.3° |
| N24 | C25 | O26 | C01 | 179.8° | 179.7° |
| N24 | C25 | C01 | C20 | 52.1° | 44.9° |
| N24 | C25 | C01 | H011 | 60.1° | 75.1° |
| C25 | N24 | C23 | H231 | 87.3° | 85.2° |
| C25 | N24 | C23 | H232 | 154.8° | 157.6° |
| O26 | C25 | C01 | C20 | 127.7° | 134.8° |
| O26 | C25 | C01 | H011 | 120.1° | 105.1° |
| O26 | C25 | N24 | H241 | 0.1° | 8.3° |
| C20 | C01 | C25 | H011 | 112.2° | 120.0° |
| C01 | C20 | C21 | H211 | 162.4° | 171.2° |
| C20 | C01 | N02 | H021 | 177.2° | 143.5° |
| C01 | C20 | N19 | H191 | 176.6° | 158.7° |
| C25 | C01 | C20 | H201 | 30.9° | 41.0° |
| C25 | C01 | N02 | H021 | 60.1° | 32.6° |
| C01 | C25 | N24 | H241 | 179.7° | 171.5° |
| C05 | C17 | C15 | H151 | 170.7° | 176.9° |
| C05 | C17 | N18 | H182 | 57.0° | 60.4° |
| C05 | C17 | N18 | H1 | 177.0° | 175.7° |
| H101 | C10 | C15 | H151 | 68.0° | 63.2° |
| H101 | C10 | C07 | H071 | 56.5° | 57.5° |
| H151 | C15 | C17 | H171 | 50.5° | 57.0° |
| H151 | C15 | O16 | H161 | 60.8° | 59.8° |
| H171 | C17 | C05 | H051 | 172.3° | 177.7° |
| H171 | C17 | N18 | H182 | 60.8° | 59.8° |
| H171 | C17 | N18 | H1 | 59.2° | 64.1° |
| H201 | C20 | C21 | H211 | 51.6° | 53.4° |
| H201 | C20 | C01 | H011 | 143.3° | 160.7° |
| H201 | C20 | N19 | H191 | 75.7° | 85.7° |
| H211 | C21 | C23 | H231 | 129.6° | 120.3° |
| H211 | C21 | C23 | H232 | 11.7° | 2.9° |
| H211 | C21 | O22 | H221 | 58.8° | 59.9° |
| H011 | C01 | N02 | H021 | 71.5° | 97.9° |
| H071 | C07 | C08 | H082 | 143.0° | 65.0° |
| H071 | C07 | C08 | H081 | 97.2° | 175.0° |
| H082 | C08 | O09 | H091 | 59.9° | 60.0° |
| H081 | C08 | O09 | H091 | 59.9° | 60.0° |
| H231 | C23 | N24 | H241 | 92.7° | 93.9° |
| H232 | C23 | N24 | H241 | 25.2° | 23.3° |
