A1AMO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| C04 | N03 | sing | 1.46Å | 1.46Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| N06 | C05 | sing | 1.47Å | 1.47Å | |
| C07 | N06 | sing | 1.35Å | 1.46Å | |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| N10 | C09 | sing | 1.47Å | 1.47Å | |
| C11 | N10 | sing | 1.35Å | 1.46Å | |
| O13 | C12 | sing | 1.43Å | 1.40Å | |
| C14 | C12 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| O17 | C16 | sing | 1.43Å | 1.40Å | |
| P18 | O17 | sing | 1.61Å | 1.63Å | |
| O19 | P18 | sing | 1.61Å | 1.64Å | |
| O21 | P18 | doub | 1.48Å | 1.48Å | |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C22 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| O23 | C11 | doub | 1.21Å | 1.18Å | |
| C08 | C07 | sing | 1.51Å | 1.54Å | |
| O24 | C07 | doub | 1.21Å | 1.19Å | |
| N03 | C02 | sing | 1.35Å | 1.47Å | |
| C25 | C02 | sing | 1.51Å | 1.53Å | |
| N29 | C25 | sing | 1.47Å | 1.45Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N29 | H291 | sing | 1.01Å | 1.00Å | |
| N29 | H292 | sing | 1.01Å | 1.00Å | |
| O19 | H2 | sing | 0.97Å | 0.95Å | |
| P18 | O1 | sing | 1.61Å | 1.64Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 120.1° | 120.0° |
| O01 | C02 | C25 | 119.5° | 120.0° |
| N03 | C04 | C05 | 109.4° | 109.5° |
| C04 | N03 | C02 | 120.3° | 120.0° |
| N03 | C04 | H041 | 109.5° | 109.5° |
| N03 | C04 | H042 | 109.5° | 109.5° |
| C04 | N03 | H031 | 119.9° | 119.9° |
| C04 | C05 | N06 | 108.3° | 109.5° |
| C05 | C04 | H041 | 109.5° | 109.5° |
| C05 | C04 | H042 | 109.5° | 109.5° |
| C04 | C05 | H052 | 109.8° | 109.4° |
| C04 | C05 | H051 | 109.8° | 109.5° |
| C05 | N06 | C07 | 119.8° | 120.0° |
| N06 | C05 | H052 | 109.8° | 109.5° |
| N06 | C05 | H051 | 109.8° | 109.4° |
| C05 | N06 | H061 | 120.1° | 120.0° |
| N06 | C07 | C08 | 119.4° | 120.0° |
| N06 | C07 | O24 | 120.3° | 120.0° |
| C07 | N06 | H061 | 120.1° | 120.0° |
| C08 | C09 | N10 | 111.3° | 109.5° |
| C09 | C08 | C07 | 112.1° | 109.5° |
| C09 | C08 | H081 | 108.8° | 109.5° |
| C09 | C08 | H082 | 108.8° | 109.5° |
| C08 | C09 | H091 | 109.0° | 109.4° |
| C08 | C09 | H092 | 109.0° | 109.4° |
| C09 | N10 | C11 | 120.2° | 120.0° |
| N10 | C09 | H091 | 109.0° | 109.5° |
| N10 | C09 | H092 | 109.0° | 109.5° |
| C09 | N10 | H101 | 119.9° | 120.0° |
| N10 | C11 | C12 | 120.2° | 120.0° |
| N10 | C11 | O23 | 118.8° | 120.0° |
| C11 | N10 | H101 | 119.9° | 120.1° |
| O13 | C12 | C14 | 109.1° | 109.5° |
| O13 | C12 | C11 | 108.8° | 109.5° |
| C12 | O13 | H131 | 109.5° | 113.9° |
| O13 | C12 | H121 | 110.4° | 109.4° |
| C12 | C14 | C15 | 109.1° | 109.4° |
| C12 | C14 | C16 | 111.8° | 109.4° |
| C12 | C14 | C22 | 111.1° | 109.5° |
| C14 | C12 | C11 | 111.6° | 109.5° |
| C14 | C12 | H121 | 108.5° | 109.5° |
| C15 | C14 | C16 | 107.8° | 109.5° |
| C15 | C14 | C22 | 108.8° | 109.5° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C14 | C15 | H153 | 109.5° | 109.4° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C16 | O17 | P18 | 123.4° | 123.0° |
| O17 | C16 | C14 | 109.9° | 109.4° |
| O17 | C16 | H162 | 109.3° | 109.5° |
| O17 | C16 | H161 | 109.4° | 109.4° |
| O17 | P18 | O19 | 106.7° | 109.5° |
| O17 | P18 | O21 | 108.3° | 109.5° |
| O17 | P18 | O1 | 110.0° | 109.5° |
| O19 | P18 | O21 | 107.1° | 109.5° |
| P18 | O19 | H2 | 109.5° | 114.0° |
| O19 | P18 | O1 | 112.9° | 109.5° |
| O21 | P18 | O1 | 111.6° | 109.5° |
| C16 | C14 | C22 | 108.1° | 109.5° |
| C14 | C16 | H162 | 109.3° | 109.5° |
| C14 | C16 | H161 | 109.4° | 109.5° |
| C14 | C22 | H223 | 109.5° | 109.5° |
| C14 | C22 | H221 | 109.4° | 109.5° |
| C14 | C22 | H222 | 109.5° | 109.4° |
| C12 | C11 | O23 | 121.0° | 120.0° |
| C11 | C12 | H121 | 108.5° | 109.5° |
| C08 | C07 | O24 | 120.2° | 120.0° |
| C07 | C08 | H081 | 108.8° | 109.5° |
| C07 | C08 | H082 | 108.8° | 109.5° |
| N03 | C02 | C25 | 120.3° | 120.0° |
| C02 | N03 | H031 | 119.8° | 120.0° |
| C02 | C25 | N29 | 108.9° | 109.5° |
| C02 | C25 | H251 | 109.6° | 109.5° |
| C02 | C25 | H252 | 109.6° | 109.4° |
| N29 | C25 | H251 | 109.6° | 109.5° |
| N29 | C25 | H252 | 109.6° | 109.5° |
| C25 | N29 | H291 | 109.5° | 111.1° |
| C25 | N29 | H292 | 109.5° | 111.0° |
| H041 | C04 | H042 | 109.4° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.4° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H153 | C15 | H152 | 109.5° | 109.4° |
| H162 | C16 | H161 | 109.5° | 109.6° |
| H223 | C22 | H221 | 109.5° | 109.5° |
| H223 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H291 | N29 | H292 | 109.5° | 110.9° |
| P18 | O1 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C04 | 0.1° | 0.0° |
| O01 | C02 | N03 | C25 | 179.9° | 180.0° |
| O01 | C02 | C25 | N29 | 102.4° | 0.1° |
| O01 | C02 | C25 | H251 | 137.7° | 120.0° |
| O01 | C02 | C25 | H252 | 17.5° | 120.0° |
| O01 | C02 | N03 | H031 | 179.9° | 179.9° |
| N03 | C04 | C05 | H041 | 120.0° | 120.0° |
| N03 | C04 | C05 | H042 | 120.0° | 120.0° |
| N03 | C04 | C05 | N06 | 98.3° | 180.0° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | C25 | 180.0° | 180.0° |
| N03 | C04 | H041 | H042 | 120.0° | 120.0° |
| N03 | C04 | C05 | H052 | 21.6° | 60.0° |
| N03 | C04 | C05 | H051 | 141.9° | 60.0° |
| C04 | C05 | N06 | H052 | 119.8° | 120.0° |
| C04 | C05 | N06 | H051 | 119.8° | 120.0° |
| C04 | C05 | N06 | C07 | 124.9° | 180.0° |
| C05 | C04 | N03 | C02 | 75.5° | 180.0° |
| C05 | C04 | H041 | H042 | 120.0° | 119.9° |
| C04 | C05 | H052 | H051 | 120.5° | 120.0° |
| C05 | C04 | N03 | H031 | 104.5° | 0.0° |
| C04 | C05 | N06 | H061 | 55.1° | 0.0° |
| C05 | N06 | C07 | H061 | 180.0° | 180.0° |
| C05 | N06 | C07 | C08 | 0.7° | 180.0° |
| C05 | N06 | C07 | O24 | 179.8° | 0.1° |
| N06 | C05 | C04 | H041 | 141.7° | 60.0° |
| N06 | C05 | C04 | H042 | 21.7° | 60.0° |
| N06 | C05 | H052 | H051 | 120.6° | 120.0° |
| N06 | C07 | C08 | C09 | 147.4° | 180.0° |
| N06 | C07 | C08 | O24 | 179.4° | 179.9° |
| C07 | N06 | C05 | H052 | 115.3° | 60.0° |
| C07 | N06 | C05 | H051 | 5.1° | 60.0° |
| N06 | C07 | C08 | H081 | 27.0° | 59.9° |
| N06 | C07 | C08 | H082 | 92.2° | 60.0° |
| C08 | C09 | N10 | H091 | 120.3° | 120.0° |
| C08 | C09 | N10 | H092 | 120.3° | 120.0° |
| C08 | C09 | N10 | C11 | 72.1° | 180.0° |
| C09 | C08 | C07 | H081 | 120.4° | 120.1° |
| C09 | C08 | C07 | H082 | 120.4° | 120.0° |
| C09 | C08 | C07 | O24 | 33.1° | 0.1° |
| C09 | C08 | H081 | H082 | 118.8° | 120.0° |
| C08 | C09 | H091 | H092 | 119.1° | 119.9° |
| C08 | C09 | N10 | H101 | 107.9° | 0.0° |
| C09 | N10 | C11 | H101 | 180.0° | 180.0° |
| C09 | N10 | C11 | C12 | 179.8° | 175.1° |
| C09 | N10 | C11 | O23 | 0.4° | 5.0° |
| N10 | C09 | C08 | C07 | 109.2° | 180.0° |
| N10 | C09 | C08 | H081 | 130.4° | 59.9° |
| N10 | C09 | C08 | H082 | 11.2° | 60.0° |
| N10 | C09 | H091 | H092 | 119.2° | 120.1° |
| N10 | C11 | C12 | O13 | 4.6° | 166.1° |
| N10 | C11 | C12 | C14 | 115.9° | 73.9° |
| N10 | C11 | C12 | O23 | 179.8° | 180.0° |
| N10 | C11 | C12 | H121 | 124.7° | 46.1° |
| C11 | N10 | C09 | H091 | 48.2° | 60.0° |
| C11 | N10 | C09 | H092 | 167.6° | 60.0° |
| O13 | C12 | C14 | C11 | 120.2° | 120.0° |
| O13 | C12 | C14 | H121 | 120.4° | 120.0° |
| O13 | C12 | C14 | C15 | 75.1° | 174.6° |
| O13 | C12 | C14 | C16 | 44.0° | 65.4° |
| O13 | C12 | C14 | C22 | 164.8° | 54.6° |
| O13 | C12 | C11 | H121 | 120.1° | 120.0° |
| O13 | C12 | C11 | O23 | 175.2° | 14.0° |
| C12 | C14 | C15 | C16 | 121.6° | 119.9° |
| C12 | C14 | C15 | C22 | 121.4° | 120.0° |
| C12 | C14 | C16 | O17 | 28.2° | 180.0° |
| C12 | C14 | C16 | C22 | 122.6° | 120.1° |
| C14 | C12 | C11 | H121 | 119.5° | 120.0° |
| C14 | C12 | C11 | O23 | 64.4° | 106.1° |
| C14 | C12 | O13 | H131 | 180.0° | 60.0° |
| C12 | C14 | C15 | H151 | 180.0° | 67.0° |
| C12 | C14 | C15 | H153 | 60.0° | 173.0° |
| C12 | C14 | C15 | H152 | 60.0° | 53.1° |
| C12 | C14 | C16 | H162 | 91.9° | 60.0° |
| C12 | C14 | C16 | H161 | 148.3° | 60.1° |
| C12 | C14 | C22 | H223 | 180.0° | 63.1° |
| C12 | C14 | C22 | H221 | 60.0° | 176.8° |
| C12 | C14 | C22 | H222 | 60.0° | 56.9° |
| C15 | C14 | C16 | O17 | 148.1° | 60.1° |
| C15 | C14 | C16 | C22 | 117.5° | 120.0° |
| C15 | C14 | C12 | C11 | 45.1° | 65.3° |
| C15 | C14 | C12 | H121 | 164.5° | 54.7° |
| C14 | C15 | H151 | H153 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 120.0° | 120.1° |
| C14 | C15 | H153 | H152 | 120.0° | 120.0° |
| C15 | C14 | C16 | H162 | 28.1° | 59.9° |
| C15 | C14 | C16 | H161 | 91.8° | 180.0° |
| C15 | C14 | C22 | H223 | 59.8° | 56.8° |
| C15 | C14 | C22 | H221 | 179.8° | 63.2° |
| C15 | C14 | C22 | H222 | 60.2° | 176.9° |
| C16 | O17 | P18 | O19 | 112.1° | 175.0° |
| C16 | O17 | P18 | O21 | 132.9° | 55.0° |
| O17 | C16 | C14 | H162 | 120.1° | 120.0° |
| O17 | C16 | C14 | H161 | 120.1° | 119.9° |
| O17 | C16 | C14 | C22 | 94.4° | 59.9° |
| O17 | C16 | H162 | H161 | 119.8° | 120.0° |
| C16 | O17 | P18 | O1 | 10.7° | 65.1° |
| O17 | P18 | O19 | O21 | 115.8° | 120.0° |
| O17 | P18 | O19 | O1 | 121.0° | 120.0° |
| O17 | P18 | O21 | O1 | 121.2° | 120.0° |
| P18 | O17 | C16 | C14 | 100.5° | 180.0° |
| P18 | O17 | C16 | H162 | 139.5° | 60.0° |
| P18 | O17 | C16 | H161 | 19.6° | 60.1° |
| O17 | P18 | O19 | H2 | 115.7° | 180.0° |
| O17 | P18 | O1 | H1 | 120.2° | 59.9° |
| O19 | P18 | O21 | O1 | 124.1° | 120.0° |
| O19 | P18 | O1 | H1 | 120.7° | 60.0° |
| O21 | P18 | O19 | H2 | 0.0° | 60.0° |
| O21 | P18 | O1 | H1 | 0.0° | 180.0° |
| C16 | C14 | C12 | C11 | 164.2° | 54.6° |
| C16 | C14 | C12 | H121 | 76.4° | 174.6° |
| C16 | C14 | C15 | H151 | 58.4° | 52.9° |
| C16 | C14 | C15 | H153 | 178.4° | 67.0° |
| C16 | C14 | C15 | H152 | 61.6° | 173.0° |
| C14 | C16 | H162 | H161 | 119.8° | 120.1° |
| C16 | C14 | C22 | H223 | 57.0° | 176.9° |
| C16 | C14 | C22 | H221 | 63.0° | 56.8° |
| C16 | C14 | C22 | H222 | 177.0° | 63.1° |
| C22 | C14 | C12 | C11 | 75.0° | 174.7° |
| C22 | C14 | C12 | H121 | 44.5° | 65.3° |
| C22 | C14 | C15 | H151 | 58.6° | 173.0° |
| C22 | C14 | C15 | H153 | 61.4° | 53.0° |
| C22 | C14 | C15 | H152 | 178.6° | 66.9° |
| C22 | C14 | C16 | H162 | 145.5° | 179.9° |
| C22 | C14 | C16 | H161 | 25.7° | 59.9° |
| C14 | C22 | H223 | H221 | 120.0° | 120.0° |
| C14 | C22 | H223 | H222 | 120.0° | 120.0° |
| C14 | C22 | H221 | H222 | 120.0° | 119.9° |
| C11 | C12 | O13 | H131 | 58.1° | 60.0° |
| C12 | C11 | N10 | H101 | 0.1° | 4.9° |
| O23 | C11 | C12 | H121 | 55.1° | 133.9° |
| O23 | C11 | N10 | H101 | 179.6° | 175.0° |
| C07 | C08 | H081 | H082 | 118.8° | 120.0° |
| C07 | C08 | C09 | H091 | 130.5° | 60.0° |
| C07 | C08 | C09 | H092 | 11.1° | 60.0° |
| C08 | C07 | N06 | H061 | 179.3° | 0.0° |
| O24 | C07 | C08 | H081 | 153.5° | 120.0° |
| O24 | C07 | C08 | H082 | 87.3° | 120.0° |
| O24 | C07 | N06 | H061 | 0.2° | 179.9° |
| N03 | C02 | C25 | N29 | 77.6° | 180.0° |
| C02 | N03 | C04 | H041 | 164.5° | 60.0° |
| C02 | N03 | C04 | H042 | 44.5° | 60.0° |
| N03 | C02 | C25 | H251 | 42.2° | 60.0° |
| N03 | C02 | C25 | H252 | 162.5° | 60.0° |
| C02 | C25 | N29 | H251 | 119.9° | 120.0° |
| C02 | C25 | N29 | H252 | 119.9° | 119.9° |
| C02 | C25 | H251 | H252 | 120.3° | 120.0° |
| C25 | C02 | N03 | H031 | 0.0° | 0.0° |
| C02 | C25 | N29 | H291 | 180.0° | 56.1° |
| C02 | C25 | N29 | H292 | 60.0° | 180.0° |
| N29 | C25 | H251 | H252 | 120.3° | 120.0° |
| C25 | N29 | H291 | H292 | 120.0° | 124.0° |
| H131 | O13 | C12 | H121 | 60.8° | 180.0° |
| H041 | C04 | C05 | H052 | 98.4° | 60.0° |
| H041 | C04 | C05 | H051 | 21.9° | 179.9° |
| H041 | C04 | N03 | H031 | 15.5° | 120.1° |
| H042 | C04 | C05 | H052 | 141.6° | 180.0° |
| H042 | C04 | C05 | H051 | 98.1° | 60.0° |
| H042 | C04 | N03 | H031 | 135.5° | 120.0° |
| H052 | C05 | N06 | H061 | 64.7° | 120.0° |
| H051 | C05 | N06 | H061 | 174.9° | 120.0° |
| H081 | C08 | C09 | H091 | 10.1° | 179.9° |
| H081 | C08 | C09 | H092 | 109.3° | 60.1° |
| H082 | C08 | C09 | H091 | 109.1° | 60.0° |
| H082 | C08 | C09 | H092 | 131.5° | 180.0° |
| H091 | C09 | N10 | H101 | 131.8° | 119.9° |
| H092 | C09 | N10 | H101 | 12.3° | 120.0° |
| H151 | C15 | H153 | H152 | 120.0° | 120.0° |
| H223 | C22 | H221 | H222 | 120.0° | 120.0° |
| H251 | C25 | N29 | H291 | 60.1° | 63.9° |
| H251 | C25 | N29 | H292 | 179.9° | 60.0° |
| H252 | C25 | N29 | H291 | 60.1° | 176.0° |
| H252 | C25 | N29 | H292 | 59.9° | 60.1° |
| H2 | O19 | P18 | O1 | 123.3° | 60.0° |
