A1BM5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.32Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | O3 | sing | 1.43Å | 1.43Å | |
| O3 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C3 | C7 | sing | 1.53Å | 1.53Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 123.4° | 120.0° |
| N1 | C1 | C2 | 115.8° | 120.0° |
| C1 | N1 | H2 | 120.0° | 120.0° |
| C1 | N1 | H1 | 120.0° | 120.0° |
| O1 | C1 | C2 | 120.8° | 120.0° |
| C1 | C2 | O2 | 109.6° | 109.4° |
| C1 | C2 | C3 | 114.0° | 109.5° |
| C1 | C2 | H3 | 106.3° | 109.5° |
| O2 | C2 | C3 | 112.9° | 109.4° |
| O2 | C2 | H3 | 107.5° | 109.5° |
| C2 | O2 | H4 | 109.5° | 114.1° |
| C2 | C3 | C4 | 111.0° | 109.5° |
| C2 | C3 | C7 | 111.6° | 109.6° |
| C3 | C2 | H3 | 106.1° | 109.5° |
| C2 | C3 | H5 | 107.2° | 109.5° |
| C3 | C4 | C5 | 113.3° | 109.1° |
| C4 | C3 | C7 | 112.1° | 109.1° |
| C3 | C4 | H6 | 108.5° | 109.5° |
| C3 | C4 | H7 | 108.5° | 109.6° |
| C4 | C3 | H5 | 107.3° | 109.5° |
| C4 | C5 | O3 | 113.6° | 109.4° |
| C5 | C4 | H6 | 108.5° | 109.6° |
| C5 | C4 | H7 | 108.5° | 109.6° |
| C4 | C5 | H8 | 108.4° | 109.5° |
| C4 | C5 | H9 | 108.4° | 109.4° |
| C5 | O3 | C6 | 112.5° | 114.1° |
| O3 | C5 | H8 | 108.5° | 109.5° |
| O3 | C5 | H9 | 108.5° | 109.5° |
| O3 | C6 | C7 | 110.9° | 109.4° |
| O3 | C6 | H10 | 109.1° | 109.5° |
| O3 | C6 | H11 | 109.1° | 109.5° |
| C6 | C7 | C3 | 112.8° | 109.2° |
| C7 | C6 | H10 | 109.1° | 109.5° |
| C7 | C6 | H11 | 109.1° | 109.5° |
| C6 | C7 | H12 | 108.6° | 109.5° |
| C6 | C7 | H13 | 108.7° | 109.5° |
| C3 | C7 | H12 | 108.6° | 109.6° |
| C3 | C7 | H13 | 108.6° | 109.6° |
| C7 | C3 | H5 | 107.3° | 109.6° |
| H2 | N1 | H1 | 120.0° | 120.0° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | C2 | 179.2° | 179.9° |
| N1 | C1 | C2 | O2 | 91.3° | 175.0° |
| N1 | C1 | C2 | C3 | 141.2° | 65.1° |
| C1 | N1 | H2 | H1 | 179.9° | 179.8° |
| N1 | C1 | C2 | H3 | 24.6° | 54.9° |
| O1 | C1 | C2 | O2 | 88.0° | 4.9° |
| O1 | C1 | C2 | C3 | 39.5° | 115.0° |
| O1 | C1 | N1 | H2 | 0.0° | 0.1° |
| O1 | C1 | N1 | H1 | 180.0° | 179.8° |
| O1 | C1 | C2 | H3 | 156.1° | 125.0° |
| C1 | C2 | O2 | C3 | 128.2° | 120.0° |
| C1 | C2 | O2 | H3 | 115.2° | 120.1° |
| C1 | C2 | C3 | H3 | 116.7° | 120.0° |
| C1 | C2 | C3 | C4 | 55.7° | 180.0° |
| C1 | C2 | C3 | C7 | 178.4° | 60.4° |
| C2 | C1 | N1 | H2 | 179.3° | 180.0° |
| C2 | C1 | N1 | H1 | 0.8° | 0.2° |
| C1 | C2 | C3 | H5 | 61.2° | 59.8° |
| C1 | C2 | O2 | H4 | 180.0° | 60.0° |
| O2 | C2 | C3 | H3 | 117.5° | 120.0° |
| O2 | C2 | C3 | C4 | 178.4° | 60.1° |
| O2 | C2 | C3 | C7 | 52.6° | 59.5° |
| O2 | C2 | C3 | H5 | 64.7° | 179.8° |
| C2 | C3 | C4 | C7 | 125.5° | 119.9° |
| C2 | C3 | C4 | H5 | 116.9° | 120.2° |
| C2 | C3 | C4 | C5 | 174.3° | 176.9° |
| C2 | C3 | C7 | C6 | 148.9° | 176.9° |
| C2 | C3 | C7 | H5 | 117.2° | 120.2° |
| C2 | C3 | C4 | H6 | 65.1° | 57.0° |
| C2 | C3 | C4 | H7 | 53.8° | 63.2° |
| C2 | C3 | C7 | H12 | 90.6° | 63.2° |
| C2 | C3 | C7 | H13 | 28.4° | 56.9° |
| C3 | C2 | O2 | H4 | 51.8° | 60.0° |
| C3 | C4 | C5 | H6 | 120.6° | 119.9° |
| C3 | C4 | C5 | H7 | 120.5° | 120.0° |
| C3 | C4 | C5 | O3 | 16.3° | 57.6° |
| C4 | C3 | C7 | C6 | 23.7° | 57.0° |
| C4 | C3 | C7 | H5 | 117.6° | 119.9° |
| C3 | C4 | H6 | H7 | 118.3° | 120.1° |
| C3 | C4 | C5 | H8 | 104.3° | 62.4° |
| C3 | C4 | C5 | H9 | 137.0° | 177.6° |
| C4 | C3 | C7 | H12 | 144.2° | 176.9° |
| C4 | C3 | C7 | H13 | 96.8° | 63.0° |
| C4 | C3 | C2 | H3 | 60.9° | 60.0° |
| C4 | C5 | O3 | H8 | 120.6° | 120.0° |
| C4 | C5 | O3 | H9 | 120.6° | 120.0° |
| C4 | C5 | O3 | C6 | 42.3° | 61.2° |
| C5 | C4 | C3 | C7 | 48.8° | 56.9° |
| C5 | C4 | H6 | H7 | 118.3° | 120.2° |
| C4 | C5 | H8 | H9 | 118.1° | 120.0° |
| C5 | C4 | C3 | H5 | 68.8° | 63.0° |
| C5 | O3 | C6 | C7 | 69.0° | 61.2° |
| O3 | C5 | C4 | H6 | 136.9° | 62.3° |
| O3 | C5 | C4 | H7 | 104.2° | 177.6° |
| O3 | C5 | H8 | H9 | 118.1° | 120.1° |
| C5 | O3 | C6 | H10 | 170.8° | 178.9° |
| C5 | O3 | C6 | H11 | 51.2° | 58.8° |
| O3 | C6 | C7 | H10 | 120.2° | 119.9° |
| O3 | C6 | C7 | H11 | 120.2° | 120.0° |
| O3 | C6 | C7 | C3 | 32.1° | 57.6° |
| C6 | O3 | C5 | H8 | 162.9° | 58.8° |
| C6 | O3 | C5 | H9 | 78.3° | 178.8° |
| O3 | C6 | H10 | H11 | 119.4° | 120.1° |
| O3 | C6 | C7 | H12 | 88.4° | 177.6° |
| O3 | C6 | C7 | H13 | 152.6° | 62.4° |
| C6 | C7 | C3 | H12 | 120.5° | 119.9° |
| C6 | C7 | C3 | H13 | 120.5° | 119.9° |
| C7 | C6 | H10 | H11 | 119.4° | 120.0° |
| C6 | C7 | H12 | H13 | 118.5° | 120.1° |
| C6 | C7 | C3 | H5 | 93.9° | 62.9° |
| C7 | C3 | C4 | H6 | 169.4° | 63.0° |
| C7 | C3 | C4 | H7 | 71.7° | 176.9° |
| C3 | C7 | C6 | H10 | 152.3° | 177.6° |
| C3 | C7 | C6 | H11 | 88.2° | 62.4° |
| C3 | C7 | H12 | H13 | 118.5° | 120.2° |
| C7 | C3 | C2 | H3 | 64.9° | 179.6° |
| H6 | C4 | C5 | H8 | 16.3° | 177.7° |
| H6 | C4 | C5 | H9 | 102.5° | 57.7° |
| H6 | C4 | C3 | H5 | 51.8° | 177.1° |
| H7 | C4 | C5 | H8 | 135.2° | 57.5° |
| H7 | C4 | C5 | H9 | 16.4° | 62.4° |
| H7 | C4 | C3 | H5 | 170.6° | 57.0° |
| H10 | C6 | C7 | H12 | 31.8° | 62.5° |
| H10 | C6 | C7 | H13 | 87.2° | 57.6° |
| H11 | C6 | C7 | H12 | 151.4° | 57.6° |
| H11 | C6 | C7 | H13 | 32.4° | 177.6° |
| H12 | C7 | C3 | H5 | 26.6° | 57.0° |
| H13 | C7 | C3 | H5 | 145.6° | 177.2° |
| H3 | C2 | C3 | H5 | 177.8° | 60.2° |
| H3 | C2 | O2 | H4 | 64.9° | 179.9° |
