A1LXU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O16 | sing | 1.43Å | 1.43Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | O15 | sing | 1.43Å | 1.44Å | |
| C13 | C10 | sing | 1.53Å | 1.55Å | |
| O12 | C10 | sing | 1.43Å | 1.42Å | |
| C10 | C09 | sing | 1.53Å | 1.55Å | |
| C09 | O11 | sing | 1.43Å | 1.43Å | |
| C09 | C08 | sing | 1.53Å | 1.56Å | |
| C08 | N07 | sing | 1.46Å | 1.50Å | |
| N07 | C19 | sing | 1.47Å | 1.50Å | |
| N07 | C01 | sing | 1.38Å | 1.40Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| N06 | C01 | sing | 1.37Å | 1.37Å | |
| N06 | C05 | sing | 1.35Å | 1.36Å | |
| C01 | C02 | doub | 1.38Å | 1.39Å | |
| C18 | O20 | doub | 1.21Å | 1.22Å | |
| C18 | N17 | sing | 1.35Å | 1.39Å | |
| O25 | C05 | doub | 1.22Å | 1.22Å | |
| C05 | N04 | sing | 1.34Å | 1.35Å | |
| C02 | N17 | sing | 1.41Å | 1.50Å | |
| C02 | C03 | sing | 1.40Å | 1.46Å | |
| N17 | C21 | sing | 1.47Å | 1.50Å | |
| N04 | C03 | sing | 1.35Å | 1.38Å | |
| C03 | O26 | doub | 1.22Å | 1.23Å | |
| C24 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | O1 | doub | 1.21Å | 1.24Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å | |
| O15 | H151 | sing | 0.97Å | 0.95Å | |
| O16 | H161 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C14 | C13 | 111.7° | 109.4° |
| O16 | C14 | H141 | 108.9° | 109.5° |
| O16 | C14 | H142 | 108.9° | 109.5° |
| C14 | O16 | H161 | 109.5° | 113.9° |
| C14 | C13 | O15 | 111.1° | 109.5° |
| C14 | C13 | C10 | 107.2° | 109.5° |
| C14 | C13 | H131 | 107.7° | 109.5° |
| C13 | C14 | H141 | 108.9° | 109.5° |
| C13 | C14 | H142 | 108.9° | 109.5° |
| O15 | C13 | C10 | 114.0° | 109.5° |
| O15 | C13 | H131 | 109.0° | 109.4° |
| C13 | O15 | H151 | 109.5° | 114.0° |
| C13 | C10 | O12 | 107.5° | 109.5° |
| C13 | C10 | C09 | 116.0° | 109.5° |
| C13 | C10 | H101 | 105.7° | 109.5° |
| C10 | C13 | H131 | 107.6° | 109.5° |
| O12 | C10 | C09 | 114.1° | 109.5° |
| O12 | C10 | H101 | 107.1° | 109.5° |
| C10 | O12 | H121 | 109.5° | 114.0° |
| C10 | C09 | O11 | 103.2° | 109.4° |
| C10 | C09 | C08 | 110.5° | 109.5° |
| C10 | C09 | H091 | 109.1° | 109.5° |
| C09 | C10 | H101 | 105.7° | 109.4° |
| O11 | C09 | C08 | 114.4° | 109.5° |
| O11 | C09 | H091 | 110.6° | 109.5° |
| C09 | O11 | H111 | 109.5° | 114.0° |
| C09 | C08 | N07 | 117.8° | 109.5° |
| C09 | C08 | H082 | 107.4° | 109.5° |
| C09 | C08 | H081 | 107.3° | 109.4° |
| C08 | C09 | H091 | 108.9° | 109.5° |
| C08 | N07 | C19 | 116.4° | 120.8° |
| C08 | N07 | C01 | 127.7° | 120.9° |
| N07 | C08 | H082 | 107.4° | 109.5° |
| N07 | C08 | H081 | 107.4° | 109.5° |
| C19 | N07 | C01 | 115.9° | 118.3° |
| N07 | C19 | C18 | 116.4° | 109.0° |
| N07 | C19 | H192 | 107.7° | 109.5° |
| N07 | C19 | H191 | 107.7° | 109.6° |
| N07 | C01 | N06 | 113.6° | 121.3° |
| N07 | C01 | C02 | 127.1° | 119.1° |
| C19 | C18 | O20 | 117.2° | 119.9° |
| C19 | C18 | N17 | 120.7° | 120.2° |
| C18 | C19 | H192 | 107.7° | 109.5° |
| C18 | C19 | H191 | 107.7° | 109.5° |
| C01 | N06 | C05 | 124.3° | 120.0° |
| N06 | C01 | C02 | 119.3° | 119.6° |
| C01 | N06 | H061 | 117.9° | 120.0° |
| N06 | C05 | O25 | 120.4° | 119.3° |
| N06 | C05 | N04 | 117.7° | 121.3° |
| C05 | N06 | H061 | 117.8° | 120.0° |
| C01 | C02 | N17 | 117.2° | 119.8° |
| C01 | C02 | C03 | 117.2° | 119.0° |
| O20 | C18 | N17 | 122.2° | 119.9° |
| C18 | N17 | C02 | 119.5° | 120.2° |
| C18 | N17 | C21 | 115.9° | 119.9° |
| O25 | C05 | N04 | 121.9° | 119.4° |
| C05 | N04 | C03 | 122.4° | 120.9° |
| C05 | N04 | H041 | 118.8° | 119.5° |
| N17 | C02 | C03 | 125.6° | 121.2° |
| C02 | N17 | C21 | 124.3° | 119.9° |
| C02 | C03 | N04 | 119.1° | 119.3° |
| C02 | C03 | O26 | 128.6° | 120.4° |
| N17 | C21 | C22 | 121.1° | 109.4° |
| N17 | C21 | H212 | 106.5° | 109.4° |
| N17 | C21 | H211 | 106.5° | 109.5° |
| N04 | C03 | O26 | 112.3° | 120.3° |
| C03 | N04 | H041 | 118.8° | 119.6° |
| C24 | C22 | C21 | 114.8° | 119.9° |
| C24 | C22 | O1 | 121.2° | 120.0° |
| C22 | C24 | H241 | 109.5° | 109.5° |
| C22 | C24 | H242 | 109.4° | 109.5° |
| C22 | C24 | H243 | 109.5° | 109.5° |
| C21 | C22 | O1 | 117.1° | 120.0° |
| C22 | C21 | H212 | 106.5° | 109.5° |
| C22 | C21 | H211 | 106.5° | 109.5° |
| H082 | C08 | H081 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.6° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C14 | C13 | H141 | 120.3° | 120.0° |
| O16 | C14 | C13 | H142 | 120.4° | 120.0° |
| O16 | C14 | C13 | O15 | 65.6° | 65.0° |
| O16 | C14 | C13 | C10 | 59.6° | 175.0° |
| O16 | C14 | C13 | H131 | 175.1° | 55.0° |
| O16 | C14 | H141 | H142 | 119.0° | 120.0° |
| C14 | C13 | O15 | C10 | 121.2° | 120.0° |
| C14 | C13 | O15 | H131 | 118.5° | 120.0° |
| C14 | C13 | C10 | H131 | 115.6° | 120.0° |
| C14 | C13 | C10 | O12 | 68.0° | 60.0° |
| C14 | C13 | C10 | C09 | 162.9° | 180.0° |
| C14 | C13 | C10 | H101 | 46.1° | 60.1° |
| C13 | C14 | H141 | H142 | 119.0° | 120.0° |
| C14 | C13 | O15 | H151 | 180.0° | 60.0° |
| C13 | C14 | O16 | H161 | 180.0° | 180.0° |
| O15 | C13 | C10 | H131 | 121.1° | 120.0° |
| O15 | C13 | C10 | O12 | 168.6° | 180.0° |
| O15 | C13 | C10 | C09 | 39.5° | 60.0° |
| O15 | C13 | C10 | H101 | 77.2° | 59.9° |
| O15 | C13 | C14 | H141 | 174.1° | 175.0° |
| O15 | C13 | C14 | H142 | 54.8° | 55.0° |
| C13 | C10 | O12 | C09 | 130.1° | 120.0° |
| C13 | C10 | O12 | H101 | 113.2° | 120.0° |
| C13 | C10 | C09 | H101 | 116.8° | 120.0° |
| C13 | C10 | C09 | O11 | 75.2° | 60.0° |
| C13 | C10 | C09 | C08 | 162.1° | 180.0° |
| C13 | C10 | C09 | H091 | 42.4° | 60.0° |
| C10 | C13 | C14 | H141 | 60.7° | 55.0° |
| C10 | C13 | C14 | H142 | 180.0° | 65.0° |
| C13 | C10 | O12 | H121 | 180.0° | 60.0° |
| C10 | C13 | O15 | H151 | 58.8° | 60.0° |
| O12 | C10 | C09 | H101 | 117.5° | 120.0° |
| O12 | C10 | C09 | O11 | 159.0° | 180.0° |
| O12 | C10 | C09 | C08 | 36.3° | 60.0° |
| O12 | C10 | C09 | H091 | 83.4° | 60.0° |
| O12 | C10 | C13 | H131 | 47.6° | 60.0° |
| C10 | C09 | O11 | C08 | 120.1° | 120.0° |
| C10 | C09 | O11 | H091 | 116.5° | 120.0° |
| C10 | C09 | C08 | H091 | 119.8° | 120.0° |
| C10 | C09 | C08 | N07 | 165.8° | 180.0° |
| C10 | C09 | C08 | H082 | 73.0° | 60.0° |
| C10 | C09 | C08 | H081 | 44.6° | 60.0° |
| C09 | C10 | C13 | H131 | 81.5° | 60.0° |
| C10 | C09 | O11 | H111 | 180.0° | 60.1° |
| C09 | C10 | O12 | H121 | 49.9° | 60.0° |
| O11 | C09 | C08 | H091 | 124.3° | 120.0° |
| O11 | C09 | C08 | N07 | 78.2° | 60.1° |
| O11 | C09 | C08 | H082 | 43.0° | 60.0° |
| O11 | C09 | C08 | H081 | 160.6° | 179.9° |
| O11 | C09 | C10 | H101 | 41.6° | 60.0° |
| C09 | C08 | N07 | H082 | 121.2° | 120.0° |
| C09 | C08 | N07 | H081 | 121.2° | 119.9° |
| C09 | C08 | N07 | C19 | 113.8° | 90.0° |
| C09 | C08 | N07 | C01 | 64.9° | 90.0° |
| C09 | C08 | H082 | H081 | 116.2° | 119.9° |
| C08 | C09 | C10 | H101 | 81.2° | 60.0° |
| C08 | C09 | O11 | H111 | 59.9° | 59.9° |
| C08 | N07 | C19 | C01 | 178.9° | 180.0° |
| C08 | N07 | C19 | C18 | 160.5° | 137.7° |
| C08 | N07 | C01 | N06 | 11.7° | 29.9° |
| C08 | N07 | C01 | C02 | 169.0° | 150.4° |
| N07 | C08 | H082 | H081 | 116.3° | 120.0° |
| N07 | C08 | C09 | H091 | 46.1° | 59.9° |
| C08 | N07 | C19 | H192 | 39.4° | 102.6° |
| C08 | N07 | C19 | H191 | 78.5° | 17.8° |
| N07 | C19 | C18 | H192 | 121.0° | 119.8° |
| N07 | C19 | C18 | H191 | 121.0° | 119.9° |
| C19 | N07 | C01 | N06 | 167.1° | 150.1° |
| C19 | N07 | C01 | C02 | 12.2° | 29.6° |
| N07 | C19 | C18 | O20 | 164.2° | 151.2° |
| N07 | C19 | C18 | N17 | 16.4° | 28.7° |
| C19 | N07 | C08 | H082 | 125.0° | 30.0° |
| C19 | N07 | C08 | H081 | 7.4° | 150.0° |
| N07 | C19 | H192 | H191 | 116.8° | 120.3° |
| C01 | N07 | C19 | C18 | 20.6° | 42.4° |
| N07 | C01 | N06 | C02 | 179.3° | 179.7° |
| N07 | C01 | N06 | C05 | 179.0° | 179.5° |
| N07 | C01 | C02 | N17 | 2.1° | 0.6° |
| N07 | C01 | C02 | C03 | 179.2° | 179.4° |
| C01 | N07 | C08 | H082 | 56.3° | 150.0° |
| C01 | N07 | C08 | H081 | 173.9° | 30.0° |
| C01 | N07 | C19 | H192 | 141.6° | 77.4° |
| C01 | N07 | C19 | H191 | 100.4° | 162.3° |
| N07 | C01 | N06 | H061 | 0.9° | 0.6° |
| C19 | C18 | O20 | N17 | 179.4° | 179.9° |
| C19 | C18 | N17 | C02 | 2.4° | 2.2° |
| C19 | C18 | N17 | C21 | 177.5° | 177.7° |
| C18 | C19 | H192 | H191 | 116.9° | 120.2° |
| C01 | N06 | C05 | H061 | 180.0° | 179.9° |
| C01 | N06 | C05 | O25 | 179.9° | 179.9° |
| C01 | N06 | C05 | N04 | 0.4° | 0.0° |
| N06 | C01 | C02 | N17 | 178.7° | 179.7° |
| N06 | C01 | C02 | C03 | 0.1° | 0.3° |
| C05 | N06 | C01 | C02 | 0.3° | 0.2° |
| N06 | C05 | O25 | N04 | 179.7° | 179.9° |
| N06 | C05 | N04 | C03 | 0.3° | 0.1° |
| N06 | C05 | N04 | H041 | 179.7° | 179.8° |
| C01 | C02 | N17 | C18 | 7.2° | 14.4° |
| C01 | C02 | N17 | C03 | 178.6° | 179.9° |
| C01 | C02 | N17 | C21 | 167.5° | 165.6° |
| C01 | C02 | C03 | N04 | 0.0° | 0.2° |
| C01 | C02 | C03 | O26 | 179.9° | 179.8° |
| C02 | C01 | N06 | H061 | 179.7° | 179.7° |
| O20 | C18 | N17 | C02 | 178.3° | 177.7° |
| O20 | C18 | N17 | C21 | 3.1° | 2.3° |
| O20 | C18 | C19 | H192 | 43.2° | 89.0° |
| O20 | C18 | C19 | H191 | 74.8° | 31.2° |
| C18 | N17 | C02 | C21 | 174.7° | 179.9° |
| C18 | N17 | C02 | C03 | 174.1° | 165.6° |
| C18 | N17 | C21 | C22 | 75.2° | 89.9° |
| N17 | C18 | C19 | H192 | 137.4° | 91.1° |
| N17 | C18 | C19 | H191 | 104.6° | 148.7° |
| C18 | N17 | C21 | H212 | 163.1° | 30.0° |
| C18 | N17 | C21 | H211 | 46.4° | 150.1° |
| O25 | C05 | N04 | C03 | 180.0° | 179.8° |
| O25 | C05 | N04 | H041 | 0.0° | 0.2° |
| O25 | C05 | N06 | H061 | 0.1° | 0.0° |
| C05 | N04 | C03 | C02 | 0.1° | 0.0° |
| C05 | N04 | C03 | H041 | 180.0° | 179.9° |
| C05 | N04 | C03 | O26 | 179.9° | 180.0° |
| N04 | C05 | N06 | H061 | 179.6° | 179.9° |
| N17 | C02 | C03 | N04 | 178.7° | 179.8° |
| N17 | C02 | C03 | O26 | 1.3° | 0.2° |
| C02 | N17 | C21 | C22 | 109.9° | 90.0° |
| C02 | N17 | C21 | H212 | 11.7° | 150.0° |
| C02 | N17 | C21 | H211 | 128.5° | 30.0° |
| C03 | C02 | N17 | C21 | 11.1° | 14.3° |
| C02 | C03 | N04 | O26 | 180.0° | 180.0° |
| C02 | C03 | N04 | H041 | 179.9° | 179.9° |
| N17 | C21 | C22 | C24 | 85.2° | 180.0° |
| N17 | C21 | C22 | H212 | 121.6° | 119.9° |
| N17 | C21 | C22 | H211 | 121.6° | 120.0° |
| N17 | C21 | C22 | O1 | 123.3° | 0.0° |
| N17 | C21 | H212 | H211 | 114.7° | 120.0° |
| O26 | C03 | N04 | H041 | 0.1° | 0.1° |
| C24 | C22 | C21 | O1 | 151.4° | 180.0° |
| C24 | C22 | C21 | H212 | 153.1° | 60.1° |
| C24 | C22 | C21 | H211 | 36.4° | 60.0° |
| C22 | C24 | H241 | H242 | 120.0° | 120.0° |
| C22 | C24 | H241 | H243 | 120.0° | 120.0° |
| C22 | C24 | H242 | H243 | 120.0° | 120.0° |
| C22 | C21 | H212 | H211 | 114.7° | 120.1° |
| C21 | C22 | C24 | H241 | 150.1° | 0.0° |
| C21 | C22 | C24 | H242 | 30.1° | 120.0° |
| C21 | C22 | C24 | H243 | 89.8° | 120.0° |
| O1 | C22 | C21 | H212 | 1.7° | 119.9° |
| O1 | C22 | C21 | H211 | 115.1° | 120.0° |
| O1 | C22 | C24 | H241 | 0.0° | 180.0° |
| O1 | C22 | C24 | H242 | 120.0° | 60.0° |
| O1 | C22 | C24 | H243 | 120.0° | 60.0° |
| H082 | C08 | C09 | H091 | 167.3° | 180.0° |
| H081 | C08 | C09 | H091 | 75.2° | 60.0° |
| H091 | C09 | C10 | H101 | 159.2° | 179.9° |
| H091 | C09 | O11 | H111 | 63.5° | 180.0° |
| H101 | C10 | C13 | H131 | 161.7° | 179.9° |
| H101 | C10 | O12 | H121 | 66.8° | 179.9° |
| H131 | C13 | C14 | H141 | 54.8° | 65.0° |
| H131 | C13 | C14 | H142 | 64.5° | 175.0° |
| H131 | C13 | O15 | H151 | 61.5° | 180.0° |
| H141 | C14 | O16 | H161 | 59.7° | 60.0° |
| H142 | C14 | O16 | H161 | 59.6° | 60.0° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
