A1BM6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.22Å | |
| C1 | N1 | sing | 1.34Å | 1.34Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | N2 | sing | 1.47Å | 1.47Å | |
| C1 | N2 | sing | 1.33Å | 1.38Å | |
| C3 | N2 | sing | 1.48Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 126.8° | 123.2° |
| O1 | C1 | N2 | 125.0° | 123.1° |
| C1 | N1 | C2 | 112.7° | 109.2° |
| N1 | C1 | N2 | 108.2° | 113.6° |
| C1 | N1 | H1 | 123.6° | 125.4° |
| N1 | C2 | C3 | 102.9° | 103.8° |
| C2 | N1 | H1 | 123.7° | 125.5° |
| N1 | C2 | H2 | 111.1° | 110.6° |
| N1 | C2 | H3 | 111.1° | 110.5° |
| C2 | C3 | C4 | 117.8° | 110.6° |
| C2 | C3 | N2 | 102.7° | 103.4° |
| C3 | C2 | H2 | 111.1° | 110.6° |
| C3 | C2 | H3 | 111.1° | 110.6° |
| C2 | C3 | H4 | 108.9° | 111.4° |
| C3 | C4 | C5 | 111.3° | 108.8° |
| C4 | C3 | N2 | 108.5° | 107.1° |
| C3 | C4 | H5 | 109.0° | 109.6° |
| C3 | C4 | H6 | 109.0° | 109.6° |
| C4 | C3 | H4 | 108.9° | 111.4° |
| C4 | C5 | C6 | 114.5° | 110.4° |
| C5 | C4 | H5 | 109.0° | 109.6° |
| C5 | C4 | H6 | 109.0° | 109.6° |
| C4 | C5 | H7 | 108.2° | 109.3° |
| C4 | C5 | H8 | 108.2° | 109.3° |
| C5 | C6 | C7 | 113.2° | 110.0° |
| C6 | C5 | H7 | 108.2° | 109.3° |
| C6 | C5 | H8 | 108.2° | 109.3° |
| C5 | C6 | H9 | 108.5° | 109.5° |
| C5 | C6 | H10 | 108.5° | 109.4° |
| C6 | C7 | N2 | 110.1° | 107.7° |
| C7 | C6 | H9 | 108.5° | 109.0° |
| C7 | C6 | H10 | 108.5° | 109.6° |
| C6 | C7 | H11 | 109.3° | 109.9° |
| C6 | C7 | H12 | 109.3° | 109.9° |
| C7 | N2 | C1 | 122.1° | 128.4° |
| C7 | N2 | C3 | 122.4° | 122.6° |
| N2 | C7 | H11 | 109.3° | 110.0° |
| N2 | C7 | H12 | 109.3° | 109.5° |
| C1 | N2 | C3 | 111.4° | 108.9° |
| N2 | C3 | H4 | 109.8° | 112.6° |
| H5 | C4 | H6 | 109.5° | 109.7° |
| H7 | C5 | H8 | 109.5° | 109.2° |
| H9 | C6 | H10 | 109.5° | 109.4° |
| H11 | C7 | H12 | 109.5° | 109.9° |
| H2 | C2 | H3 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | N2 | 177.2° | 179.9° |
| O1 | C1 | N1 | C2 | 171.8° | 175.7° |
| O1 | C1 | N2 | C7 | 24.1° | 10.5° |
| O1 | C1 | N2 | C3 | 177.9° | 170.6° |
| O1 | C1 | N1 | H1 | 8.2° | 4.5° |
| C1 | N1 | C2 | H1 | 180.0° | 179.8° |
| C1 | N1 | C2 | C3 | 12.5° | 2.4° |
| N1 | C1 | N2 | C7 | 153.1° | 169.4° |
| N1 | C1 | N2 | C3 | 4.8° | 9.4° |
| C1 | N1 | C2 | H2 | 106.4° | 116.2° |
| C1 | N1 | C2 | H3 | 131.5° | 120.9° |
| N1 | C2 | C3 | H2 | 118.9° | 118.6° |
| N1 | C2 | C3 | H3 | 118.9° | 118.6° |
| N1 | C2 | C3 | C4 | 133.0° | 121.6° |
| C2 | N1 | C1 | N2 | 5.4° | 4.3° |
| N1 | C2 | C3 | N2 | 14.0° | 7.3° |
| N1 | C2 | H2 | H3 | 123.0° | 122.8° |
| N1 | C2 | C3 | H4 | 102.4° | 113.9° |
| C2 | C3 | C4 | N2 | 116.0° | 112.1° |
| C2 | C3 | C4 | H4 | 124.5° | 124.4° |
| C2 | C3 | C4 | C5 | 173.6° | 165.7° |
| C2 | C3 | N2 | C7 | 145.8° | 168.9° |
| C2 | C3 | N2 | C1 | 12.1° | 10.1° |
| C2 | C3 | N2 | H4 | 115.7° | 120.4° |
| C3 | C2 | N1 | H1 | 167.5° | 177.8° |
| C2 | C3 | C4 | H5 | 53.3° | 74.5° |
| C2 | C3 | C4 | H6 | 66.2° | 45.9° |
| C3 | C2 | H2 | H3 | 123.1° | 122.8° |
| C3 | C4 | C5 | H5 | 120.3° | 119.8° |
| C3 | C4 | C5 | H6 | 120.3° | 119.8° |
| C3 | C4 | C5 | C6 | 40.2° | 63.1° |
| C4 | C3 | N2 | C7 | 20.4° | 52.0° |
| C4 | C3 | N2 | C1 | 137.4° | 127.0° |
| C4 | C3 | N2 | H4 | 118.9° | 122.7° |
| C3 | C4 | H5 | H6 | 119.2° | 120.3° |
| C3 | C4 | C5 | H7 | 161.0° | 176.6° |
| C3 | C4 | C5 | H8 | 80.5° | 57.2° |
| C4 | C3 | C2 | H2 | 14.1° | 3.1° |
| C4 | C3 | C2 | H3 | 108.0° | 119.8° |
| C4 | C5 | C6 | H7 | 120.8° | 120.3° |
| C4 | C5 | C6 | H8 | 120.7° | 120.2° |
| C4 | C5 | C6 | C7 | 14.4° | 62.0° |
| C5 | C4 | C3 | N2 | 57.6° | 53.6° |
| C5 | C4 | H5 | H6 | 119.2° | 120.4° |
| C4 | C5 | H7 | H8 | 117.7° | 119.5° |
| C4 | C5 | C6 | H9 | 135.0° | 57.8° |
| C4 | C5 | C6 | H10 | 106.1° | 177.6° |
| C5 | C4 | C3 | H4 | 61.9° | 69.9° |
| C5 | C6 | C7 | H9 | 120.6° | 120.0° |
| C5 | C6 | C7 | H10 | 120.5° | 120.3° |
| C5 | C6 | C7 | N2 | 50.5° | 51.2° |
| C6 | C5 | C4 | H5 | 80.1° | 177.1° |
| C6 | C5 | C4 | H6 | 160.5° | 56.6° |
| C6 | C5 | H7 | H8 | 117.7° | 119.6° |
| C5 | C6 | H9 | H10 | 118.3° | 119.9° |
| C5 | C6 | C7 | H11 | 69.5° | 171.1° |
| C5 | C6 | C7 | H12 | 170.6° | 67.9° |
| C6 | C7 | N2 | H11 | 120.1° | 119.7° |
| C6 | C7 | N2 | H12 | 120.1° | 119.4° |
| C6 | C7 | N2 | C1 | 171.3° | 128.2° |
| C6 | C7 | N2 | C3 | 33.2° | 50.6° |
| C7 | C6 | C5 | H7 | 106.3° | 177.8° |
| C7 | C6 | C5 | H8 | 135.2° | 58.3° |
| C7 | C6 | H9 | H10 | 118.3° | 119.8° |
| C6 | C7 | H11 | H12 | 119.7° | 121.0° |
| C7 | N2 | C1 | C3 | 157.9° | 178.9° |
| N2 | C7 | C6 | H9 | 171.1° | 68.8° |
| N2 | C7 | C6 | H10 | 70.0° | 171.6° |
| N2 | C7 | H11 | H12 | 119.7° | 120.6° |
| C7 | N2 | C3 | H4 | 98.5° | 70.7° |
| N2 | C1 | N1 | H1 | 174.6° | 175.5° |
| C1 | N2 | C7 | H11 | 68.6° | 8.5° |
| C1 | N2 | C7 | H12 | 51.2° | 112.4° |
| C1 | N2 | C3 | H4 | 103.6° | 110.3° |
| N2 | C3 | C4 | H5 | 62.7° | 173.5° |
| N2 | C3 | C4 | H6 | 177.9° | 66.2° |
| C3 | N2 | C7 | H11 | 86.9° | 170.3° |
| C3 | N2 | C7 | H12 | 153.3° | 68.8° |
| N2 | C3 | C2 | H2 | 105.0° | 111.3° |
| N2 | C3 | C2 | H3 | 132.9° | 125.8° |
| H1 | N1 | C2 | H2 | 73.6° | 63.6° |
| H1 | N1 | C2 | H3 | 48.5° | 59.2° |
| H5 | C4 | C5 | H7 | 40.7° | 56.8° |
| H5 | C4 | C5 | H8 | 159.2° | 62.6° |
| H5 | C4 | C3 | H4 | 177.8° | 49.9° |
| H6 | C4 | C5 | H7 | 78.8° | 63.6° |
| H6 | C4 | C5 | H8 | 39.8° | 176.9° |
| H6 | C4 | C3 | H4 | 58.4° | 170.3° |
| H7 | C5 | C6 | H9 | 14.2° | 62.5° |
| H7 | C5 | C6 | H10 | 133.1° | 57.4° |
| H8 | C5 | C6 | H9 | 104.3° | 178.0° |
| H8 | C5 | C6 | H10 | 14.6° | 62.1° |
| H9 | C6 | C7 | H11 | 51.0° | 51.1° |
| H9 | C6 | C7 | H12 | 68.8° | 172.1° |
| H10 | C6 | C7 | H11 | 169.9° | 68.6° |
| H10 | C6 | C7 | H12 | 50.1° | 52.4° |
| H2 | C2 | C3 | H4 | 138.7° | 127.5° |
| H3 | C2 | C3 | H4 | 16.5° | 4.6° |
