7MO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N49 | C48 | sing | 1.47Å | 1.44Å | |
| C48 | C47 | sing | 1.53Å | 1.61Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | O45 | sing | 1.43Å | 1.43Å | |
| O45 | P44 | sing | 1.61Å | 1.62Å | |
| P44 | O69 | doub | 1.48Å | 1.48Å | |
| P44 | N43 | sing | 1.68Å | 1.79Å | |
| P44 | O50 | sing | 1.61Å | 1.74Å | |
| O50 | C51 | sing | 1.43Å | 1.57Å | |
| C51 | C52 | sing | 1.53Å | 1.66Å | |
| C67 | N66 | doub | 1.30Å | 1.42Å | Aromatic |
| C67 | N58 | sing | 1.36Å | 1.36Å | Aromatic |
| N66 | C65 | sing | 1.35Å | 1.37Å | Aromatic |
| C52 | C53 | sing | 1.55Å | 1.29Å | |
| C52 | O68 | sing | 1.44Å | 1.69Å | |
| C53 | O54 | sing | 1.43Å | 1.47Å | |
| C53 | C55 | sing | 1.54Å | 1.60Å | |
| N58 | C57 | sing | 1.46Å | 1.56Å | |
| N58 | C59 | sing | 1.37Å | 1.43Å | Aromatic |
| O68 | C57 | sing | 1.44Å | 1.31Å | |
| C65 | C59 | doub | 1.40Å | 1.41Å | Aromatic |
| C65 | C63 | sing | 1.41Å | 1.50Å | Aromatic |
| C57 | C55 | sing | 1.55Å | 1.55Å | |
| N64 | C63 | sing | 1.38Å | 1.50Å | |
| C59 | N60 | sing | 1.33Å | 1.37Å | Aromatic |
| C55 | O56 | sing | 1.43Å | 1.42Å | |
| C63 | N62 | doub | 1.33Å | 1.36Å | Aromatic |
| N60 | C61 | doub | 1.32Å | 1.35Å | Aromatic |
| N62 | C61 | sing | 1.32Å | 1.37Å | Aromatic |
| N43 | H1 | sing | 1.01Å | 1.00Å | |
| N43 | H2 | sing | 1.01Å | 1.00Å | |
| C46 | H3 | sing | 1.09Å | 1.10Å | |
| C46 | H4 | sing | 1.09Å | 1.10Å | |
| C47 | H5 | sing | 1.09Å | 1.10Å | |
| C47 | H6 | sing | 1.09Å | 1.10Å | |
| C48 | H7 | sing | 1.09Å | 1.10Å | |
| C48 | H8 | sing | 1.09Å | 1.10Å | |
| N49 | H9 | sing | 1.01Å | 1.00Å | |
| N49 | H10 | sing | 1.01Å | 1.00Å | |
| C51 | H12 | sing | 1.09Å | 1.10Å | |
| C51 | H13 | sing | 1.09Å | 1.10Å | |
| C52 | H14 | sing | 1.09Å | 1.10Å | |
| C53 | H15 | sing | 1.09Å | 1.10Å | |
| O54 | H16 | sing | 0.97Å | 0.95Å | |
| C55 | H17 | sing | 1.09Å | 1.10Å | |
| O56 | H18 | sing | 0.97Å | 0.95Å | |
| C57 | H19 | sing | 1.09Å | 1.10Å | |
| C67 | H20 | sing | 1.08Å | 1.08Å | |
| N64 | H21 | sing | 0.97Å | 1.00Å | |
| N64 | H22 | sing | 0.97Å | 1.00Å | |
| C61 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N49 | C48 | C47 | 109.7° | 109.5° |
| N49 | C48 | H7 | 109.4° | 109.4° |
| N49 | C48 | H8 | 109.4° | 109.4° |
| C48 | N49 | H9 | 109.5° | 111.0° |
| C48 | N49 | H10 | 109.4° | 111.0° |
| C48 | C47 | C46 | 113.9° | 109.5° |
| C48 | C47 | H5 | 108.4° | 109.5° |
| C48 | C47 | H6 | 108.4° | 109.5° |
| C47 | C48 | H7 | 109.4° | 109.5° |
| C47 | C48 | H8 | 109.4° | 109.5° |
| C47 | C46 | O45 | 106.5° | 109.5° |
| C47 | C46 | H3 | 110.2° | 109.4° |
| C47 | C46 | H4 | 110.2° | 109.5° |
| C46 | C47 | H5 | 108.3° | 109.4° |
| C46 | C47 | H6 | 108.4° | 109.4° |
| C46 | O45 | P44 | 110.7° | 123.0° |
| O45 | C46 | H3 | 110.2° | 109.5° |
| O45 | C46 | H4 | 110.2° | 109.5° |
| O45 | P44 | O69 | 109.9° | 109.5° |
| O45 | P44 | N43 | 109.5° | 109.5° |
| O45 | P44 | O50 | 119.4° | 109.5° |
| O69 | P44 | N43 | 106.3° | 109.4° |
| O69 | P44 | O50 | 111.3° | 109.5° |
| N43 | P44 | O50 | 99.2° | 109.5° |
| P44 | N43 | H1 | 109.5° | 111.0° |
| P44 | N43 | H2 | 109.4° | 111.0° |
| P44 | O50 | C51 | 123.5° | 123.1° |
| O50 | C51 | C52 | 125.8° | 109.5° |
| O50 | C51 | H12 | 105.3° | 109.4° |
| O50 | C51 | H13 | 105.2° | 109.5° |
| C51 | C52 | C53 | 113.9° | 110.4° |
| C51 | C52 | O68 | 122.1° | 110.4° |
| C52 | C51 | H12 | 105.3° | 109.5° |
| C52 | C51 | H13 | 105.3° | 109.5° |
| C51 | C52 | H14 | 103.7° | 110.3° |
| N66 | C67 | N58 | 109.4° | 110.0° |
| C67 | N66 | C65 | 110.1° | 109.4° |
| N66 | C67 | H20 | 125.3° | 125.0° |
| C67 | N58 | C57 | 147.8° | 126.3° |
| C67 | N58 | C59 | 104.7° | 107.4° |
| N58 | C67 | H20 | 125.3° | 125.0° |
| N66 | C65 | C59 | 104.2° | 107.2° |
| N66 | C65 | C63 | 139.5° | 134.6° |
| C53 | C52 | O68 | 104.9° | 104.8° |
| C52 | C53 | O54 | 104.6° | 110.5° |
| C52 | C53 | C55 | 105.5° | 104.1° |
| C53 | C52 | H14 | 107.7° | 110.4° |
| C52 | C53 | H15 | 114.6° | 110.5° |
| C52 | O68 | C57 | 102.1° | 105.3° |
| O68 | C52 | H14 | 103.4° | 110.4° |
| O54 | C53 | C55 | 111.0° | 110.5° |
| O54 | C53 | H15 | 111.4° | 110.4° |
| C53 | O54 | H16 | 109.5° | 114.0° |
| C53 | C55 | C57 | 94.1° | 104.1° |
| C53 | C55 | O56 | 114.1° | 110.6° |
| C55 | C53 | H15 | 109.6° | 110.7° |
| C53 | C55 | H17 | 108.6° | 110.5° |
| C57 | N58 | C59 | 107.4° | 126.3° |
| N58 | C57 | O68 | 105.6° | 110.5° |
| N58 | C57 | C55 | 131.9° | 110.4° |
| N58 | C57 | H19 | 102.6° | 110.4° |
| N58 | C59 | C65 | 111.6° | 106.0° |
| N58 | C59 | N60 | 128.9° | 134.9° |
| O68 | C57 | C55 | 106.3° | 104.8° |
| O68 | C57 | H19 | 105.0° | 110.4° |
| C59 | C65 | C63 | 116.2° | 118.2° |
| C65 | C59 | N60 | 119.5° | 119.1° |
| C65 | C63 | N64 | 120.0° | 120.8° |
| C65 | C63 | N62 | 119.2° | 118.4° |
| C57 | C55 | O56 | 118.3° | 110.5° |
| C57 | C55 | H17 | 109.3° | 110.6° |
| C55 | C57 | H19 | 102.7° | 110.3° |
| N64 | C63 | N62 | 120.7° | 120.8° |
| C63 | N64 | H21 | 109.5° | 120.0° |
| C63 | N64 | H22 | 109.5° | 120.1° |
| C59 | N60 | C61 | 123.8° | 120.6° |
| O56 | C55 | H17 | 111.1° | 110.5° |
| C55 | O56 | H18 | 109.5° | 114.0° |
| C63 | N62 | C61 | 121.8° | 121.2° |
| N60 | C61 | N62 | 119.4° | 122.5° |
| N60 | C61 | H23 | 120.3° | 118.8° |
| N62 | C61 | H23 | 120.3° | 118.8° |
| H1 | N43 | H2 | 109.4° | 111.0° |
| H3 | C46 | H4 | 109.5° | 109.5° |
| H5 | C47 | H6 | 109.5° | 109.5° |
| H7 | C48 | H8 | 109.5° | 109.5° |
| H9 | N49 | H10 | 109.5° | 111.0° |
| H12 | C51 | H13 | 109.5° | 109.5° |
| H21 | N64 | H22 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N49 | C48 | C47 | H7 | 120.0° | 120.0° |
| N49 | C48 | C47 | H8 | 120.0° | 120.0° |
| N49 | C48 | C47 | C46 | 145.7° | 180.0° |
| N49 | C48 | C47 | H5 | 93.6° | 60.0° |
| N49 | C48 | C47 | H6 | 25.1° | 60.0° |
| N49 | C48 | H7 | H8 | 119.9° | 119.9° |
| C48 | N49 | H9 | H10 | 120.0° | 124.0° |
| C48 | C47 | C46 | H5 | 120.7° | 120.0° |
| C48 | C47 | C46 | H6 | 120.7° | 120.0° |
| C48 | C47 | C46 | O45 | 177.5° | 180.0° |
| C48 | C47 | C46 | H3 | 63.0° | 60.0° |
| C48 | C47 | C46 | H4 | 57.9° | 60.0° |
| C48 | C47 | H5 | H6 | 118.0° | 120.1° |
| C47 | C48 | H7 | H8 | 119.9° | 120.1° |
| C47 | C48 | N49 | H9 | 180.0° | 56.0° |
| C47 | C48 | N49 | H10 | 60.0° | 180.0° |
| C47 | C46 | O45 | H3 | 119.6° | 120.0° |
| C47 | C46 | O45 | H4 | 119.5° | 120.0° |
| C47 | C46 | O45 | P44 | 67.3° | 180.0° |
| C47 | C46 | H3 | H4 | 121.4° | 120.0° |
| C46 | C47 | H5 | H6 | 118.0° | 120.0° |
| C46 | C47 | C48 | H7 | 25.7° | 60.0° |
| C46 | C47 | C48 | H8 | 94.2° | 60.0° |
| C46 | O45 | P44 | O69 | 1.6° | 50.0° |
| C46 | O45 | P44 | N43 | 118.0° | 70.0° |
| C46 | O45 | P44 | O50 | 128.6° | 170.0° |
| O45 | C46 | H3 | H4 | 121.4° | 120.0° |
| O45 | C46 | C47 | H5 | 56.8° | 60.0° |
| O45 | C46 | C47 | H6 | 61.8° | 60.0° |
| O45 | P44 | O69 | N43 | 118.4° | 120.0° |
| O45 | P44 | O69 | O50 | 134.5° | 120.0° |
| O45 | P44 | N43 | O50 | 125.9° | 120.0° |
| O45 | P44 | O50 | C51 | 118.4° | 165.0° |
| O45 | P44 | N43 | H1 | 180.0° | 60.0° |
| O45 | P44 | N43 | H2 | 60.0° | 63.9° |
| P44 | O45 | C46 | H3 | 173.2° | 60.0° |
| P44 | O45 | C46 | H4 | 52.3° | 60.0° |
| O69 | P44 | N43 | O50 | 115.5° | 120.0° |
| O69 | P44 | O50 | C51 | 111.9° | 44.9° |
| O69 | P44 | N43 | H1 | 61.4° | 180.0° |
| O69 | P44 | N43 | H2 | 178.7° | 56.1° |
| N43 | P44 | O50 | C51 | 0.3° | 75.0° |
| P44 | N43 | H1 | H2 | 120.0° | 123.9° |
| P44 | O50 | C51 | C52 | 115.8° | 180.0° |
| O50 | P44 | N43 | H1 | 54.1° | 60.0° |
| O50 | P44 | N43 | H2 | 65.8° | 176.1° |
| P44 | O50 | C51 | H12 | 122.1° | 60.0° |
| P44 | O50 | C51 | H13 | 6.4° | 59.9° |
| O50 | C51 | C52 | H12 | 122.2° | 120.0° |
| O50 | C51 | C52 | H13 | 122.2° | 120.0° |
| O50 | C51 | C52 | C53 | 102.6° | 175.0° |
| O50 | C51 | C52 | O68 | 25.0° | 69.6° |
| O50 | C51 | H12 | H13 | 112.7° | 119.9° |
| O50 | C51 | C52 | H14 | 140.7° | 52.8° |
| C51 | C52 | C53 | O68 | 135.9° | 118.9° |
| C51 | C52 | C53 | H14 | 114.4° | 122.3° |
| C51 | C52 | O68 | H14 | 115.9° | 122.3° |
| C51 | C52 | C53 | O54 | 78.9° | 98.5° |
| C51 | C52 | C53 | C55 | 164.0° | 142.8° |
| C51 | C52 | O68 | C57 | 127.8° | 159.4° |
| C52 | C51 | H12 | H13 | 112.7° | 120.0° |
| C51 | C52 | C53 | H15 | 43.4° | 24.0° |
| N66 | C67 | N58 | H20 | 180.0° | 180.0° |
| N66 | C67 | N58 | C57 | 176.2° | 180.0° |
| N66 | C67 | N58 | C59 | 0.7° | 0.2° |
| C67 | N66 | C65 | C59 | 1.0° | 0.2° |
| C67 | N66 | C65 | C63 | 177.3° | 180.0° |
| N58 | C67 | N66 | C65 | 1.1° | 0.0° |
| C67 | N58 | C57 | C59 | 175.5° | 179.8° |
| C67 | N58 | C57 | O68 | 71.7° | 20.7° |
| C67 | N58 | C59 | C65 | 0.0° | 0.3° |
| C67 | N58 | C57 | C55 | 58.4° | 94.7° |
| C67 | N58 | C59 | N60 | 179.4° | 179.8° |
| C67 | N58 | C57 | H19 | 178.5° | 143.0° |
| N66 | C65 | C59 | N58 | 0.6° | 0.3° |
| N66 | C65 | C59 | C63 | 177.3° | 179.8° |
| N66 | C65 | C63 | N64 | 3.3° | 0.0° |
| N66 | C65 | C59 | N60 | 179.9° | 179.7° |
| N66 | C65 | C63 | N62 | 178.8° | 180.0° |
| C65 | N66 | C67 | H20 | 178.9° | 179.9° |
| C53 | C52 | O68 | H14 | 112.7° | 118.9° |
| C52 | C53 | O54 | C55 | 113.3° | 114.6° |
| C52 | C53 | O54 | H15 | 124.3° | 122.5° |
| C52 | C53 | C55 | H15 | 123.8° | 118.7° |
| C53 | C52 | O68 | C57 | 3.6° | 40.5° |
| C52 | C53 | C55 | C57 | 46.7° | 0.0° |
| C52 | C53 | C55 | O56 | 76.8° | 118.6° |
| C53 | C52 | C51 | H12 | 19.6° | 65.0° |
| C53 | C52 | C51 | H13 | 135.3° | 55.0° |
| C52 | C53 | O54 | H16 | 180.0° | 180.0° |
| C52 | C53 | C55 | H17 | 158.6° | 118.8° |
| O68 | C52 | C53 | O54 | 145.2° | 142.6° |
| O68 | C52 | C53 | C55 | 28.1° | 24.0° |
| C52 | O68 | C57 | N58 | 108.5° | 159.3° |
| C52 | O68 | C57 | C55 | 35.0° | 40.5° |
| O68 | C52 | C51 | H12 | 147.2° | 50.4° |
| O68 | C52 | C51 | H13 | 97.2° | 170.4° |
| O68 | C52 | C53 | H15 | 92.6° | 94.9° |
| C52 | O68 | C57 | H19 | 143.5° | 78.3° |
| O54 | C53 | C55 | H15 | 123.4° | 122.7° |
| O54 | C53 | C55 | C57 | 159.4° | 118.6° |
| O54 | C53 | C55 | O56 | 35.9° | 0.0° |
| O54 | C53 | C52 | H14 | 35.5° | 23.7° |
| O54 | C53 | C55 | H17 | 88.7° | 122.6° |
| C53 | C55 | C57 | N58 | 79.8° | 142.9° |
| C53 | C55 | C57 | O68 | 50.0° | 23.9° |
| C53 | C55 | C57 | O56 | 120.2° | 118.7° |
| C53 | C55 | C57 | H17 | 111.3° | 118.7° |
| C53 | C55 | O56 | H17 | 123.2° | 122.6° |
| C55 | C53 | C52 | H14 | 81.6° | 94.9° |
| C55 | C53 | O54 | H16 | 66.7° | 65.4° |
| C53 | C55 | O56 | H18 | 180.0° | 61.5° |
| C53 | C55 | C57 | H19 | 160.1° | 94.9° |
| N58 | C57 | O68 | C55 | 143.5° | 118.9° |
| N58 | C57 | O68 | H19 | 108.0° | 122.4° |
| C57 | N58 | C59 | C65 | 177.5° | 179.9° |
| N58 | C57 | C55 | H19 | 120.1° | 122.3° |
| C57 | N58 | C59 | N60 | 1.9° | 0.0° |
| N58 | C57 | C55 | O56 | 160.0° | 98.4° |
| N58 | C57 | C55 | H17 | 31.6° | 24.2° |
| C57 | N58 | C67 | H20 | 3.8° | 0.0° |
| C59 | N58 | C57 | O68 | 112.8° | 159.5° |
| N58 | C59 | C65 | N60 | 179.5° | 179.9° |
| N58 | C59 | C65 | C63 | 177.9° | 179.9° |
| C59 | N58 | C57 | C55 | 117.1° | 85.1° |
| N58 | C59 | N60 | C61 | 178.5° | 179.3° |
| C59 | N58 | C57 | H19 | 3.1° | 37.2° |
| C59 | N58 | C67 | H20 | 179.3° | 179.8° |
| O68 | C57 | C55 | H19 | 110.1° | 118.8° |
| O68 | C57 | C55 | O56 | 70.2° | 142.6° |
| C57 | O68 | C52 | H14 | 116.4° | 78.4° |
| O68 | C57 | C55 | H17 | 161.4° | 94.8° |
| C59 | C65 | C63 | N64 | 179.3° | 179.7° |
| C59 | C65 | C63 | N62 | 2.9° | 0.2° |
| C65 | C59 | N60 | C61 | 2.1° | 0.6° |
| C65 | C63 | N64 | N62 | 177.8° | 180.0° |
| C63 | C65 | C59 | N60 | 2.6° | 0.1° |
| C65 | C63 | N62 | C61 | 2.6° | 0.0° |
| C65 | C63 | N64 | H21 | 177.8° | 0.0° |
| C65 | C63 | N64 | H22 | 62.1° | 180.0° |
| C57 | C55 | O56 | H17 | 127.5° | 122.7° |
| C57 | C55 | C53 | H15 | 77.1° | 118.7° |
| C57 | C55 | O56 | H18 | 70.8° | 176.2° |
| N64 | C63 | N62 | C61 | 179.6° | 180.0° |
| C63 | N64 | H21 | H22 | 120.0° | 180.0° |
| C59 | N60 | C61 | N62 | 1.6° | 0.9° |
| C59 | N60 | C61 | H23 | 178.4° | 179.6° |
| O56 | C55 | C53 | H15 | 159.4° | 122.6° |
| O56 | C55 | C57 | H19 | 39.8° | 23.8° |
| C63 | N62 | C61 | N60 | 1.9° | 0.5° |
| N62 | C63 | N64 | H21 | 0.0° | 180.0° |
| N62 | C63 | N64 | H22 | 120.0° | 0.0° |
| C63 | N62 | C61 | H23 | 178.1° | 180.0° |
| N60 | C61 | N62 | H23 | 180.0° | 179.5° |
| H3 | C46 | C47 | H5 | 176.4° | 180.0° |
| H3 | C46 | C47 | H6 | 57.7° | 60.0° |
| H4 | C46 | C47 | H5 | 62.7° | 60.0° |
| H4 | C46 | C47 | H6 | 178.6° | 180.0° |
| H5 | C47 | C48 | H7 | 146.3° | 180.0° |
| H5 | C47 | C48 | H8 | 26.4° | 59.9° |
| H6 | C47 | C48 | H7 | 95.0° | 59.9° |
| H6 | C47 | C48 | H8 | 145.1° | NaN° |
| H7 | C48 | N49 | H9 | 60.0° | 64.0° |
| H7 | C48 | N49 | H10 | 60.0° | 60.0° |
| H8 | C48 | N49 | H9 | 60.0° | 176.0° |
| H8 | C48 | N49 | H10 | 180.0° | 60.0° |
| H12 | C51 | C52 | H14 | 97.1° | 172.7° |
| H13 | C51 | C52 | H14 | 18.5° | 67.3° |
| H14 | C52 | C53 | H15 | 157.8° | 146.2° |
| H15 | C53 | O54 | H16 | 55.7° | 57.4° |
| H15 | C53 | C55 | H17 | 34.8° | 0.0° |
| H17 | C55 | O56 | H18 | 56.8° | 61.2° |
| H17 | C55 | C57 | H19 | 88.6° | 146.4° |
