NM9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3A | C3B | sing | 1.53Å | 1.48Å | |
| C3A | C3E | sing | 1.51Å | 1.50Å | |
| C3A | O3 | sing | 1.43Å | 1.28Å | |
| C1 | C2 | sing | 1.53Å | 1.46Å | |
| C1 | O1 | sing | 1.43Å | 1.38Å | |
| C1 | O5 | sing | 1.43Å | 1.36Å | |
| N3A | C3E | sing | 1.35Å | 1.34Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| O7 | C7 | doub | 1.21Å | 1.17Å | |
| C1B | O1 | sing | 1.43Å | 1.33Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | N2 | sing | 1.47Å | 1.40Å | |
| C3E | OCA | doub | 1.21Å | 1.19Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | O3 | sing | 1.43Å | 1.38Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| C5 | O5 | sing | 1.43Å | 1.36Å | |
| C6 | O6 | sing | 1.43Å | 1.36Å | |
| C7 | C8 | sing | 1.51Å | 1.46Å | |
| C7 | N2 | sing | 1.35Å | 1.40Å | |
| C3A | H3A | sing | 1.09Å | 1.10Å | |
| C3B | H3B1 | sing | 1.09Å | 1.10Å | |
| C3B | H3B2 | sing | 1.09Å | 1.10Å | |
| C3B | H3B3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N3A | H3A1 | sing | 0.97Å | 1.00Å | |
| N3A | H3A2 | sing | 0.97Å | 1.00Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C1B | H1B1 | sing | 1.09Å | 1.10Å | |
| C1B | H1B2 | sing | 1.09Å | 1.10Å | |
| C1B | H1B3 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3B | C3A | C3E | 127.4° | 109.5° |
| C3B | C3A | O3 | 110.8° | 109.5° |
| C3B | C3A | H3A | 101.2° | 109.5° |
| C3A | C3B | H3B1 | 109.5° | 109.5° |
| C3A | C3B | H3B2 | 109.5° | 109.5° |
| C3A | C3B | H3B3 | 109.5° | 109.4° |
| C3E | C3A | O3 | 109.5° | 109.5° |
| C3A | C3E | N3A | 114.0° | 120.0° |
| C3A | C3E | OCA | 125.5° | 120.0° |
| C3E | C3A | H3A | 101.1° | 109.4° |
| C3A | O3 | C3 | 133.2° | 114.0° |
| O3 | C3A | H3A | 103.0° | 109.4° |
| C2 | C1 | O1 | 124.0° | 109.5° |
| C2 | C1 | O5 | 105.3° | 109.4° |
| C1 | C2 | C3 | 105.0° | 109.2° |
| C1 | C2 | N2 | 108.0° | 109.5° |
| C2 | C1 | H1 | 107.2° | 109.5° |
| C1 | C2 | H2 | 107.2° | 109.6° |
| O1 | C1 | O5 | 102.8° | 109.5° |
| C1 | O1 | C1B | 112.9° | 114.0° |
| O1 | C1 | H1 | 108.2° | 109.5° |
| C1 | O5 | C5 | 117.6° | 114.1° |
| O5 | C1 | H1 | 108.5° | 109.5° |
| N3A | C3E | OCA | 120.4° | 120.0° |
| C3E | N3A | H3A1 | 120.0° | 120.0° |
| C3E | N3A | H3A2 | 120.0° | 120.0° |
| O4 | C4 | C3 | 116.5° | 109.5° |
| O4 | C4 | C5 | 107.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O4 | C4 | H4 | 109.4° | 109.5° |
| O7 | C7 | C8 | 118.6° | 120.0° |
| O7 | C7 | N2 | 128.3° | 120.0° |
| O1 | C1B | H1B1 | 109.5° | 109.5° |
| O1 | C1B | H1B2 | 109.5° | 109.5° |
| O1 | C1B | H1B3 | 109.4° | 109.5° |
| C3 | C2 | N2 | 121.3° | 109.5° |
| C2 | C3 | C4 | 111.1° | 109.0° |
| C2 | C3 | O3 | 108.8° | 109.5° |
| C3 | C2 | H2 | 106.5° | 109.5° |
| C2 | C3 | H3 | 107.6° | 109.5° |
| C2 | N2 | C7 | 139.3° | 120.0° |
| N2 | C2 | H2 | 108.0° | 109.6° |
| C2 | N2 | HN2 | 110.4° | 120.0° |
| C4 | C3 | O3 | 112.9° | 109.5° |
| C3 | C4 | C5 | 108.0° | 109.2° |
| C3 | C4 | H4 | 107.5° | 109.6° |
| C4 | C3 | H3 | 106.9° | 109.6° |
| O3 | C3 | H3 | 109.4° | 109.6° |
| C4 | C5 | C6 | 119.7° | 109.5° |
| C4 | C5 | O5 | 109.5° | 109.4° |
| C5 | C4 | H4 | 108.1° | 109.6° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| C6 | C5 | O5 | 96.9° | 109.4° |
| C5 | C6 | O6 | 94.6° | 109.5° |
| C6 | C5 | H5 | 109.6° | 109.5° |
| C5 | C6 | H61 | 113.1° | 109.5° |
| C5 | C6 | H62 | 113.0° | 109.5° |
| O5 | C5 | H5 | 111.5° | 109.5° |
| O6 | C6 | H61 | 113.1° | 109.5° |
| O6 | C6 | H62 | 113.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C8 | C7 | N2 | 113.1° | 120.0° |
| C7 | C8 | H81 | 109.5° | 109.5° |
| C7 | C8 | H82 | 109.4° | 109.4° |
| C7 | C8 | H83 | 109.5° | 109.4° |
| C7 | N2 | HN2 | 110.3° | 120.0° |
| H3B1 | C3B | H3B2 | 109.5° | 109.5° |
| H3B1 | C3B | H3B3 | 109.5° | 109.5° |
| H3B2 | C3B | H3B3 | 109.5° | 109.5° |
| H3A1 | N3A | H3A2 | 120.0° | 120.0° |
| H1B1 | C1B | H1B2 | 109.5° | 109.4° |
| H1B1 | C1B | H1B3 | 109.5° | 109.4° |
| H1B2 | C1B | H1B3 | 109.5° | 109.4° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H81 | C8 | H83 | 109.5° | 109.5° |
| H82 | C8 | H83 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3B | C3A | C3E | O3 | 138.3° | 120.1° |
| C3B | C3A | C3E | H3A | 113.5° | 120.0° |
| C3B | C3A | O3 | H3A | 107.5° | 120.0° |
| C3B | C3A | C3E | N3A | 112.9° | 65.0° |
| C3B | C3A | C3E | OCA | 70.5° | 115.0° |
| C3B | C3A | O3 | C3 | 86.1° | 89.7° |
| C3A | C3B | H3B1 | H3B2 | 120.0° | 120.0° |
| C3A | C3B | H3B1 | H3B3 | 120.0° | 120.0° |
| C3A | C3B | H3B2 | H3B3 | 120.0° | 120.0° |
| C3E | C3A | O3 | H3A | 106.9° | 119.9° |
| C3A | C3E | N3A | OCA | 176.7° | 180.0° |
| C3E | C3A | O3 | C3 | 128.3° | 150.3° |
| C3E | C3A | C3B | H3B1 | 180.0° | 175.4° |
| C3E | C3A | C3B | H3B2 | 60.0° | 64.5° |
| C3E | C3A | C3B | H3B3 | 60.0° | 55.5° |
| C3A | C3E | N3A | H3A1 | 176.7° | 0.0° |
| C3A | C3E | N3A | H3A2 | 3.3° | 180.0° |
| O3 | C3A | C3E | N3A | 25.4° | 175.0° |
| C3A | O3 | C3 | C2 | 64.2° | 98.1° |
| O3 | C3A | C3E | OCA | 151.2° | 5.1° |
| C3A | O3 | C3 | C4 | 172.0° | 142.4° |
| O3 | C3A | C3B | H3B1 | 42.2° | 55.4° |
| O3 | C3A | C3B | H3B2 | 162.2° | 175.4° |
| O3 | C3A | C3B | H3B3 | 77.8° | 64.6° |
| C3A | O3 | C3 | H3 | 53.1° | 22.1° |
| C2 | C1 | O1 | O5 | 118.7° | 119.9° |
| C2 | C1 | O1 | H1 | 126.6° | 120.1° |
| C2 | C1 | O5 | H1 | 114.5° | 120.0° |
| C2 | C1 | O1 | C1B | 42.5° | 175.0° |
| C1 | C2 | C3 | N2 | 122.6° | 119.9° |
| C1 | C2 | C3 | H2 | 113.5° | 119.9° |
| C1 | C2 | N2 | H2 | 115.7° | 120.2° |
| C1 | C2 | C3 | C4 | 59.5° | 57.0° |
| C1 | C2 | C3 | O3 | 175.7° | 176.9° |
| C2 | C1 | O5 | C5 | 73.4° | 61.2° |
| C1 | C2 | N2 | C7 | 56.4° | 90.6° |
| C1 | C2 | C3 | H3 | 57.2° | 62.9° |
| C1 | C2 | N2 | HN2 | 123.6° | 89.4° |
| O1 | C1 | O5 | H1 | 114.5° | 120.0° |
| O1 | C1 | C2 | C3 | 175.8° | 177.6° |
| O1 | C1 | C2 | N2 | 45.0° | 62.5° |
| O1 | C1 | O5 | C5 | 155.5° | 178.8° |
| O1 | C1 | C2 | H2 | 71.1° | 57.7° |
| C1 | O1 | C1B | H1B1 | 180.0° | 60.0° |
| C1 | O1 | C1B | H1B2 | 60.0° | 180.0° |
| C1 | O1 | C1B | H1B3 | 60.0° | 60.0° |
| O5 | C1 | O1 | C1B | 76.2° | 65.1° |
| O5 | C1 | C2 | C3 | 66.6° | 57.6° |
| O5 | C1 | C2 | N2 | 162.6° | 177.5° |
| C1 | O5 | C5 | C4 | 62.0° | 61.2° |
| C1 | O5 | C5 | C6 | 173.2° | 178.8° |
| O5 | C1 | C2 | H2 | 46.4° | 62.3° |
| C1 | O5 | C5 | H5 | 59.0° | 58.8° |
| N3A | C3E | C3A | H3A | 133.6° | 55.1° |
| C3E | N3A | H3A1 | H3A2 | 180.0° | 180.0° |
| O4 | C4 | C3 | C2 | 169.4° | 176.9° |
| O4 | C4 | C3 | C5 | 120.6° | 119.9° |
| O4 | C4 | C3 | H4 | 123.0° | 120.1° |
| O4 | C4 | C3 | O3 | 68.1° | 63.2° |
| O4 | C4 | C5 | H4 | 117.8° | 120.1° |
| O4 | C4 | C5 | C6 | 78.0° | 62.5° |
| O4 | C4 | C5 | O5 | 171.7° | 177.5° |
| O4 | C4 | C3 | H3 | 52.3° | 57.0° |
| O4 | C4 | C5 | H5 | 49.4° | 57.5° |
| O7 | C7 | N2 | C2 | 0.9° | 0.1° |
| O7 | C7 | C8 | N2 | 178.6° | 179.9° |
| O7 | C7 | N2 | HN2 | 179.0° | 180.0° |
| O7 | C7 | C8 | H81 | 0.0° | 90.0° |
| O7 | C7 | C8 | H82 | 120.0° | 150.0° |
| O7 | C7 | C8 | H83 | 120.0° | 30.1° |
| C1B | O1 | C1 | H1 | 169.1° | 54.9° |
| O1 | C1B | H1B1 | H1B2 | 120.0° | 120.1° |
| O1 | C1B | H1B1 | H1B3 | 120.0° | 120.0° |
| O1 | C1B | H1B2 | H1B3 | 120.0° | 120.0° |
| C3 | C2 | N2 | H2 | 123.2° | 120.1° |
| C2 | C3 | C4 | O3 | 122.5° | 119.9° |
| C2 | C3 | C4 | H3 | 117.1° | 119.9° |
| C2 | C3 | O3 | H3 | 117.3° | 120.2° |
| C2 | C3 | C4 | C5 | 48.8° | 57.0° |
| C3 | C2 | N2 | C7 | 64.8° | 149.7° |
| C3 | C2 | C1 | H1 | 48.8° | 62.4° |
| C2 | C3 | C4 | H4 | 67.6° | 63.0° |
| C3 | C2 | N2 | HN2 | 115.2° | 30.3° |
| N2 | C2 | C3 | C4 | 177.9° | 176.9° |
| N2 | C2 | C3 | O3 | 53.1° | 63.2° |
| C2 | N2 | C7 | C8 | 177.5° | 180.0° |
| C2 | N2 | C7 | HN2 | 180.0° | 179.9° |
| N2 | C2 | C1 | H1 | 82.0° | 57.5° |
| N2 | C2 | C3 | H3 | 65.3° | 57.0° |
| OCA | C3E | C3A | H3A | 42.9° | 125.0° |
| OCA | C3E | N3A | H3A1 | 0.0° | 180.0° |
| OCA | C3E | N3A | H3A2 | 180.0° | 0.0° |
| C4 | C3 | O3 | H3 | 118.9° | 120.2° |
| C3 | C4 | C5 | H4 | 116.0° | 120.0° |
| C3 | C4 | C5 | C6 | 155.8° | 177.6° |
| C3 | C4 | C5 | O5 | 45.4° | 57.7° |
| C4 | C3 | C2 | H2 | 54.0° | 62.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 76.8° | 62.4° |
| O3 | C3 | C4 | C5 | 171.3° | 176.9° |
| C3 | O3 | C3A | H3A | 21.4° | 30.3° |
| O3 | C3 | C2 | H2 | 70.8° | 56.9° |
| O3 | C3 | C4 | H4 | 55.0° | 56.9° |
| C4 | C5 | C6 | O5 | 117.1° | 119.9° |
| C4 | C5 | C6 | H5 | 127.2° | 120.0° |
| C4 | C5 | O5 | H5 | 120.9° | 120.0° |
| C4 | C5 | C6 | O6 | 148.8° | 175.0° |
| C5 | C4 | O4 | HO4 | 59.0° | 60.3° |
| C5 | C4 | C3 | H3 | 68.3° | 62.9° |
| C4 | C5 | C6 | H61 | 31.3° | 55.0° |
| C4 | C5 | C6 | H62 | 93.8° | 65.0° |
| C6 | C5 | O5 | H5 | 114.2° | 120.0° |
| C5 | C6 | O6 | H61 | 117.5° | 120.0° |
| C5 | C6 | O6 | H62 | 117.4° | 120.0° |
| C6 | C5 | C4 | H4 | 39.8° | 57.6° |
| C5 | C6 | H61 | H62 | 127.0° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 94.2° | 65.1° |
| C5 | O5 | C1 | H1 | 41.1° | 58.8° |
| O5 | C5 | C4 | H4 | 70.5° | 62.3° |
| O5 | C5 | C6 | H61 | 148.3° | 174.9° |
| O5 | C5 | C6 | H62 | 23.3° | 54.9° |
| O6 | C6 | C5 | H5 | 21.5° | 55.0° |
| O6 | C6 | H61 | H62 | 127.0° | 120.0° |
| C8 | C7 | N2 | HN2 | 2.5° | 0.1° |
| C7 | C8 | H81 | H82 | 120.0° | 119.9° |
| C7 | C8 | H81 | H83 | 120.0° | 120.0° |
| C7 | C8 | H82 | H83 | 120.0° | 119.9° |
| C7 | N2 | C2 | H2 | 172.0° | 29.6° |
| N2 | C7 | C8 | H81 | 178.6° | 90.0° |
| N2 | C7 | C8 | H82 | 58.6° | 30.0° |
| N2 | C7 | C8 | H83 | 61.4° | 150.0° |
| H3A | C3A | C3B | H3B1 | 66.6° | 64.5° |
| H3A | C3A | C3B | H3B2 | 53.4° | 55.5° |
| H3A | C3A | C3B | H3B3 | 173.4° | 175.5° |
| H3B1 | C3B | H3B2 | H3B3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 161.8° | 177.7° |
| H2 | C2 | C3 | H3 | 170.8° | 177.2° |
| H2 | C2 | N2 | HN2 | 8.0° | 150.4° |
| HO4 | O4 | C4 | H4 | 58.0° | 59.8° |
| H4 | C4 | C3 | H3 | 175.3° | 177.1° |
| H4 | C4 | C5 | H5 | 167.2° | 177.6° |
| H1B1 | C1B | H1B2 | H1B3 | 120.0° | 119.9° |
| H5 | C5 | C6 | H61 | 95.9° | 65.0° |
| H5 | C5 | C6 | H62 | 139.0° | 175.0° |
| H61 | C6 | O6 | HO6 | 62.5° | 60.0° |
| H62 | C6 | O6 | HO6 | 62.6° | 60.0° |
| H81 | C8 | H82 | H83 | 120.0° | 120.1° |
