UM7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N18 | sing | 1.47Å | 1.48Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| N22 | N18 | sing | 1.45Å | 1.42Å | |
| N22 | C23 | sing | 1.47Å | 1.49Å | |
| C23 | C19 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| O25 | C24 | doub | 1.21Å | 1.22Å | |
| C27 | O26 | sing | 1.45Å | 1.42Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C24 | O26 | sing | 1.34Å | 1.36Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| N22 | H8 | sing | 1.01Å | 1.00Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| N18 | H3 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N18 | C21 | C20 | 106.3° | 109.3° |
| C21 | N18 | N22 | 119.5° | 111.1° |
| N18 | C21 | H1 | 110.3° | 109.5° |
| N18 | C21 | H2 | 110.3° | 109.5° |
| C21 | N18 | H3 | 106.9° | 111.0° |
| C21 | C20 | C19 | 114.2° | 109.1° |
| C20 | C21 | H1 | 110.2° | 109.4° |
| C20 | C21 | H2 | 110.2° | 109.5° |
| C21 | C20 | H28 | 108.3° | 109.5° |
| C21 | C20 | H29 | 108.3° | 109.5° |
| N18 | N22 | C23 | 110.4° | 111.1° |
| N18 | N22 | H8 | 109.3° | 111.0° |
| N22 | N18 | H3 | 106.9° | 111.0° |
| N22 | C23 | C19 | 111.3° | 109.3° |
| N22 | C23 | C24 | 106.6° | 109.5° |
| C23 | N22 | H8 | 109.2° | 111.0° |
| N22 | C23 | H9 | 107.5° | 109.4° |
| C19 | C23 | C24 | 116.7° | 109.5° |
| C23 | C19 | C20 | 113.5° | 109.1° |
| C19 | C23 | H9 | 107.2° | 109.6° |
| C23 | C19 | H26 | 108.5° | 109.6° |
| C23 | C19 | H27 | 108.5° | 109.5° |
| C23 | C24 | O25 | 126.0° | 120.0° |
| C23 | C24 | O26 | 113.4° | 120.0° |
| C24 | C23 | H9 | 107.2° | 109.5° |
| O25 | C24 | O26 | 120.6° | 120.0° |
| C27 | O26 | C24 | 116.6° | 117.0° |
| O26 | C27 | H10 | 109.5° | 109.5° |
| O26 | C27 | H11 | 109.5° | 109.5° |
| O26 | C27 | H12 | 109.4° | 109.5° |
| C20 | C19 | H26 | 108.5° | 109.5° |
| C20 | C19 | H27 | 108.5° | 109.5° |
| C19 | C20 | H28 | 108.3° | 109.5° |
| C19 | C20 | H29 | 108.3° | 109.6° |
| H1 | C21 | H2 | 109.5° | 109.6° |
| H10 | C27 | H11 | 109.5° | 109.5° |
| H10 | C27 | H12 | 109.4° | 109.5° |
| H11 | C27 | H12 | 109.5° | 109.4° |
| H26 | C19 | H27 | 109.5° | 109.6° |
| H28 | C20 | H29 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N18 | C21 | C20 | H1 | 119.5° | 119.9° |
| N18 | C21 | C20 | H2 | 119.5° | 119.9° |
| C21 | N18 | N22 | H3 | 121.4° | 124.0° |
| C21 | N18 | N22 | C23 | 59.8° | 62.1° |
| N18 | C21 | C20 | C19 | 46.5° | 57.7° |
| N18 | C21 | H1 | H2 | 121.5° | 120.1° |
| C21 | N18 | N22 | H8 | 60.4° | 62.0° |
| N18 | C21 | C20 | H28 | 74.1° | 62.2° |
| N18 | C21 | C20 | H29 | 167.3° | 177.6° |
| C20 | C21 | N18 | N22 | 55.3° | 60.0° |
| C21 | C20 | C19 | C23 | 47.5° | 56.7° |
| C21 | C20 | C19 | H28 | 120.7° | 119.9° |
| C21 | C20 | C19 | H29 | 120.7° | 119.9° |
| C20 | C21 | H1 | H2 | 121.4° | 120.0° |
| C21 | C20 | C19 | H26 | 73.1° | 63.2° |
| C21 | C20 | C19 | H27 | 168.0° | 176.5° |
| C21 | C20 | H28 | H29 | 117.8° | 120.2° |
| C20 | C21 | N18 | H3 | 176.7° | 176.0° |
| N18 | N22 | C23 | H8 | 120.2° | 124.0° |
| N18 | N22 | C23 | C19 | 52.0° | 60.0° |
| N18 | N22 | C23 | C24 | 179.7° | 180.0° |
| N22 | N18 | C21 | H1 | 174.8° | 59.9° |
| N22 | N18 | C21 | H2 | 64.2° | 179.9° |
| N18 | N22 | C23 | H9 | 65.0° | 60.0° |
| N22 | C23 | C19 | C24 | 122.7° | 119.9° |
| N22 | C23 | C19 | H9 | 117.2° | 119.9° |
| N22 | C23 | C24 | H9 | 114.9° | 120.0° |
| N22 | C23 | C24 | O25 | 6.6° | 20.0° |
| N22 | C23 | C19 | C20 | 48.5° | 57.7° |
| N22 | C23 | C24 | O26 | 172.8° | 160.0° |
| N22 | C23 | C19 | H26 | 72.1° | 62.2° |
| N22 | C23 | C19 | H27 | 169.1° | 177.6° |
| C23 | N22 | N18 | H3 | 178.8° | 173.9° |
| C19 | C23 | C24 | H9 | 120.1° | 120.2° |
| C19 | C23 | C24 | O25 | 118.4° | 99.8° |
| C23 | C19 | C20 | H26 | 120.6° | 119.9° |
| C23 | C19 | C20 | H27 | 120.6° | 119.8° |
| C19 | C23 | C24 | O26 | 62.1° | 80.2° |
| C19 | C23 | N22 | H8 | 68.2° | 64.0° |
| C23 | C19 | H26 | H27 | 118.2° | 120.2° |
| C23 | C19 | C20 | H28 | 73.2° | 63.2° |
| C23 | C19 | C20 | H29 | 168.1° | 176.6° |
| C23 | C24 | O25 | O26 | 179.4° | 180.0° |
| C23 | C24 | O26 | C27 | 179.5° | 180.0° |
| C24 | C23 | C19 | C20 | 171.1° | 177.7° |
| C24 | C23 | N22 | H8 | 60.1° | 56.0° |
| C24 | C23 | C19 | H26 | 50.5° | 57.7° |
| C24 | C23 | C19 | H27 | 68.3° | 62.5° |
| O25 | C24 | O26 | C27 | 0.0° | 0.0° |
| O25 | C24 | C23 | H9 | 121.5° | 140.0° |
| O26 | C27 | H10 | H11 | 120.0° | 120.0° |
| O26 | C27 | H10 | H12 | 120.0° | 120.0° |
| O26 | C27 | H11 | H12 | 120.0° | 120.0° |
| C19 | C20 | C21 | H1 | 166.1° | 62.2° |
| C19 | C20 | C21 | H2 | 73.0° | 177.7° |
| C20 | C19 | C23 | H9 | 68.8° | 62.2° |
| C20 | C19 | H26 | H27 | 118.2° | 120.2° |
| C19 | C20 | H28 | H29 | 117.9° | 120.2° |
| O26 | C24 | C23 | H9 | 58.0° | 40.0° |
| C24 | O26 | C27 | H10 | 180.0° | 60.0° |
| C24 | O26 | C27 | H11 | 60.0° | 60.0° |
| C24 | O26 | C27 | H12 | 60.0° | 180.0° |
| H1 | C21 | C20 | H28 | 45.4° | 177.9° |
| H1 | C21 | C20 | H29 | 73.2° | 57.7° |
| H1 | C21 | N18 | H3 | 63.8° | 64.1° |
| H2 | C21 | C20 | H28 | 166.4° | 57.8° |
| H2 | C21 | C20 | H29 | 47.7° | 62.4° |
| H2 | C21 | N18 | H3 | 57.2° | 56.1° |
| H8 | N22 | C23 | H9 | 174.8° | 176.0° |
| H8 | N22 | N18 | H3 | 61.0° | 62.0° |
| H9 | C23 | C19 | H26 | 170.6° | 177.9° |
| H9 | C23 | C19 | H27 | 51.8° | 57.6° |
| H10 | C27 | H11 | H12 | 120.0° | 120.0° |
| H26 | C19 | C20 | H28 | 166.2° | 176.9° |
| H26 | C19 | C20 | H29 | 47.6° | 56.7° |
| H27 | C19 | C20 | H28 | 47.4° | 56.6° |
| H27 | C19 | C20 | H29 | 71.3° | 63.6° |
