M64
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.37Å | |
| C13 | C14 | sing | 1.53Å | 1.37Å | |
| C15 | C16 | sing | 1.53Å | 1.49Å | |
| C15 | N10 | sing | 1.47Å | 1.58Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C04 | O05 | doub | 1.21Å | 1.19Å | |
| C04 | C06 | sing | 1.51Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C06 | N17 | sing | 1.47Å | 1.43Å | |
| C07 | C08 | sing | 1.51Å | 1.55Å | |
| C08 | N10 | sing | 1.35Å | 1.47Å | |
| C08 | O09 | doub | 1.21Å | 1.17Å | |
| C11 | N10 | sing | 1.47Å | 1.57Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| N17 | H30 | sing | 1.01Å | 1.00Å | |
| C04 | OXT | sing | 1.34Å | 1.45Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N17 | H4 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 113.9° | 109.5° |
| C13 | C12 | C11 | 112.6° | 109.3° |
| C12 | C13 | H1 | 108.4° | 109.4° |
| C12 | C13 | H2 | 108.4° | 109.5° |
| C13 | C12 | H14 | 108.7° | 109.5° |
| C13 | C12 | H15 | 108.7° | 109.6° |
| C13 | C14 | C15 | 114.0° | 109.3° |
| C14 | C13 | H1 | 108.3° | 109.5° |
| C14 | C13 | H2 | 108.4° | 109.5° |
| C13 | C14 | H16 | 108.3° | 109.5° |
| C13 | C14 | H17 | 108.3° | 109.5° |
| C16 | C15 | N10 | 107.0° | 109.6° |
| C16 | C15 | C14 | 110.4° | 109.6° |
| C16 | C15 | H3 | 107.8° | 109.6° |
| C15 | C16 | H18 | 109.5° | 109.5° |
| C15 | C16 | H19 | 109.4° | 109.5° |
| C15 | C16 | H20 | 109.4° | 109.5° |
| N10 | C15 | C14 | 117.2° | 108.8° |
| C15 | N10 | C08 | 130.2° | 120.6° |
| C15 | N10 | C11 | 96.7° | 118.7° |
| N10 | C15 | H3 | 106.8° | 109.6° |
| C14 | C15 | H3 | 107.3° | 109.7° |
| C15 | C14 | H16 | 108.3° | 109.5° |
| C15 | C14 | H17 | 108.3° | 109.5° |
| O05 | C04 | C06 | 123.1° | 120.0° |
| O05 | C04 | OXT | 123.0° | 120.0° |
| C04 | C06 | C07 | 105.1° | 109.5° |
| C04 | C06 | N17 | 110.1° | 109.5° |
| C04 | C06 | H9 | 110.3° | 109.5° |
| C06 | C04 | OXT | 113.9° | 120.0° |
| C07 | C06 | N17 | 108.9° | 109.5° |
| C06 | C07 | C08 | 115.4° | 109.5° |
| C07 | C06 | H9 | 110.4° | 109.4° |
| C06 | C07 | H10 | 108.0° | 109.4° |
| C06 | C07 | H11 | 108.0° | 109.5° |
| N17 | C06 | H9 | 111.8° | 109.5° |
| C06 | N17 | H30 | 109.5° | 111.0° |
| C06 | N17 | H4 | 109.5° | 111.0° |
| C07 | C08 | N10 | 119.3° | 120.0° |
| C07 | C08 | O09 | 119.7° | 120.1° |
| C08 | C07 | H10 | 108.0° | 109.5° |
| C08 | C07 | H11 | 108.0° | 109.5° |
| N10 | C08 | O09 | 121.0° | 120.0° |
| C08 | N10 | C11 | 133.0° | 120.6° |
| N10 | C11 | C12 | 116.5° | 108.8° |
| N10 | C11 | H12 | 107.7° | 109.6° |
| N10 | C11 | H13 | 107.7° | 109.6° |
| C12 | C11 | H12 | 107.7° | 109.6° |
| C12 | C11 | H13 | 107.7° | 109.6° |
| C11 | C12 | H14 | 108.7° | 109.5° |
| C11 | C12 | H15 | 108.7° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.7° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.4° |
| H18 | C16 | H20 | 109.5° | 109.4° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H30 | N17 | H4 | 109.5° | 111.0° |
| C04 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H1 | 120.6° | 120.0° |
| C12 | C13 | C14 | H2 | 120.7° | 120.0° |
| C12 | C13 | C14 | C15 | 59.3° | 61.4° |
| C13 | C12 | C11 | N10 | 32.5° | 54.7° |
| C13 | C12 | C11 | H14 | 120.5° | 119.9° |
| C13 | C12 | C11 | H15 | 120.5° | 120.1° |
| C12 | C13 | H1 | H2 | 118.0° | 120.0° |
| C13 | C12 | C11 | H12 | 88.5° | 65.1° |
| C13 | C12 | C11 | H13 | 153.5° | 174.4° |
| C13 | C12 | H14 | H15 | 118.6° | 120.2° |
| C12 | C13 | C14 | H16 | 61.4° | 58.6° |
| C12 | C13 | C14 | H17 | 179.9° | 178.7° |
| C13 | C14 | C15 | C16 | 141.4° | 174.5° |
| C13 | C14 | C15 | N10 | 18.6° | 54.6° |
| C13 | C14 | C15 | H16 | 120.7° | 119.9° |
| C13 | C14 | C15 | H17 | 120.6° | 119.9° |
| C14 | C13 | C12 | C11 | 33.3° | 61.4° |
| C14 | C13 | H1 | H2 | 118.0° | 120.0° |
| C13 | C14 | C15 | H3 | 101.4° | 65.2° |
| C14 | C13 | C12 | H14 | 153.8° | 178.7° |
| C14 | C13 | C12 | H15 | 87.2° | 58.6° |
| C13 | C14 | H16 | H17 | 117.9° | 120.0° |
| C16 | C15 | N10 | C14 | 124.5° | 119.8° |
| C16 | C15 | N10 | H3 | 115.2° | 120.3° |
| C16 | C15 | C14 | H3 | 117.2° | 120.3° |
| C16 | C15 | N10 | C08 | 89.0° | 6.7° |
| C16 | C15 | N10 | C11 | 88.6° | 173.4° |
| C16 | C15 | C14 | H16 | 20.8° | 54.5° |
| C16 | C15 | C14 | H17 | 97.9° | 65.6° |
| C15 | C16 | H18 | H19 | 120.0° | 120.1° |
| C15 | C16 | H18 | H20 | 120.0° | 120.0° |
| C15 | C16 | H19 | H20 | 120.0° | 120.0° |
| N10 | C15 | C14 | H3 | 120.0° | 119.9° |
| C15 | N10 | C08 | C07 | 1.4° | 174.2° |
| C15 | N10 | C08 | C11 | 176.8° | 179.9° |
| C15 | N10 | C08 | O09 | 179.3° | 5.7° |
| C15 | N10 | C11 | C12 | 62.5° | 53.6° |
| C15 | N10 | C11 | H12 | 58.5° | 66.2° |
| C15 | N10 | C11 | H13 | 176.4° | 173.4° |
| N10 | C15 | C14 | H16 | 102.1° | 65.3° |
| N10 | C15 | C14 | H17 | 139.3° | 174.6° |
| N10 | C15 | C16 | H18 | 180.0° | 54.2° |
| N10 | C15 | C16 | H19 | 60.0° | 174.2° |
| N10 | C15 | C16 | H20 | 60.0° | 65.8° |
| C14 | C15 | N10 | C08 | 146.5° | 126.5° |
| C14 | C15 | N10 | C11 | 35.9° | 53.6° |
| C15 | C14 | C13 | H1 | 179.9° | 178.7° |
| C15 | C14 | C13 | H2 | 61.4° | 58.7° |
| C15 | C14 | H16 | H17 | 117.9° | 120.1° |
| C14 | C15 | C16 | H18 | 51.4° | 65.1° |
| C14 | C15 | C16 | H19 | 171.4° | 54.9° |
| C14 | C15 | C16 | H20 | 68.6° | 174.9° |
| O05 | C04 | C06 | OXT | 180.0° | 180.0° |
| O05 | C04 | C06 | C07 | 77.7° | 100.0° |
| O05 | C04 | C06 | N17 | 39.4° | 20.0° |
| O05 | C04 | C06 | H9 | 163.3° | 140.0° |
| O05 | C04 | OXT | HXT | 0.0° | 0.1° |
| C04 | C06 | C07 | N17 | 117.9° | 120.1° |
| C04 | C06 | C07 | H9 | 119.0° | 120.0° |
| C04 | C06 | N17 | H9 | 123.0° | 120.0° |
| C04 | C06 | C07 | C08 | 168.7° | 175.0° |
| C04 | C06 | C07 | H10 | 70.5° | 65.0° |
| C04 | C06 | C07 | H11 | 47.8° | 54.9° |
| C04 | C06 | N17 | H30 | 180.0° | 60.0° |
| C06 | C04 | OXT | HXT | 179.9° | 180.0° |
| C04 | C06 | N17 | H4 | 60.0° | 176.0° |
| C07 | C06 | N17 | H9 | 122.2° | 119.9° |
| C06 | C07 | C08 | H10 | 120.9° | 120.0° |
| C06 | C07 | C08 | H11 | 120.9° | 120.0° |
| C06 | C07 | C08 | N10 | 156.0° | 179.9° |
| C06 | C07 | C08 | O09 | 23.3° | 0.0° |
| C06 | C07 | H10 | H11 | 117.3° | 120.0° |
| C07 | C06 | N17 | H30 | 65.2° | 60.0° |
| C07 | C06 | C04 | OXT | 102.4° | 79.9° |
| C07 | C06 | N17 | H4 | 174.7° | 63.9° |
| N17 | C06 | C07 | C08 | 73.4° | 65.0° |
| N17 | C06 | C07 | H10 | 47.5° | 55.0° |
| N17 | C06 | C07 | H11 | 165.7° | 175.0° |
| C06 | N17 | H30 | H4 | 120.0° | 123.9° |
| N17 | C06 | C04 | OXT | 140.5° | 160.0° |
| C07 | C08 | N10 | O09 | 179.3° | 179.9° |
| C07 | C08 | N10 | C11 | 178.2° | 5.9° |
| C08 | C07 | C06 | H9 | 49.7° | 55.0° |
| C08 | C07 | H10 | H11 | 117.3° | 120.0° |
| C08 | N10 | C11 | C12 | 119.9° | 126.5° |
| C08 | N10 | C15 | H3 | 26.2° | 113.6° |
| N10 | C08 | C07 | H10 | 35.2° | 60.0° |
| N10 | C08 | C07 | H11 | 83.1° | 60.0° |
| C08 | N10 | C11 | H12 | 119.0° | 113.7° |
| C08 | N10 | C11 | H13 | 1.1° | 6.6° |
| O09 | C08 | N10 | C11 | 2.5° | 174.2° |
| O09 | C08 | C07 | H10 | 144.1° | 119.9° |
| O09 | C08 | C07 | H11 | 97.6° | 120.0° |
| N10 | C11 | C12 | H12 | 121.0° | 119.8° |
| N10 | C11 | C12 | H13 | 121.0° | 119.8° |
| C11 | N10 | C15 | H3 | 156.2° | 66.3° |
| N10 | C11 | H12 | H13 | 116.8° | 120.3° |
| N10 | C11 | C12 | H14 | 88.0° | 174.6° |
| N10 | C11 | C12 | H15 | 153.0° | 65.4° |
| C11 | C12 | C13 | H1 | 154.0° | 178.6° |
| C11 | C12 | C13 | H2 | 87.3° | 58.6° |
| C12 | C11 | H12 | H13 | 116.8° | 120.5° |
| C11 | C12 | H14 | H15 | 118.6° | 120.0° |
| H1 | C13 | C12 | H14 | 85.6° | 58.7° |
| H1 | C13 | C12 | H15 | 33.5° | 61.4° |
| H1 | C13 | C14 | H16 | 59.3° | 61.4° |
| H1 | C13 | C14 | H17 | 59.4° | 58.7° |
| H2 | C13 | C12 | H14 | 33.1° | 61.3° |
| H2 | C13 | C12 | H15 | 152.2° | 178.6° |
| H2 | C13 | C14 | H16 | 177.9° | 178.6° |
| H2 | C13 | C14 | H17 | 59.3° | 61.3° |
| H3 | C15 | C14 | H16 | 137.9° | 174.8° |
| H3 | C15 | C14 | H17 | 19.3° | 54.7° |
| H3 | C15 | C16 | H18 | 65.4° | 174.5° |
| H3 | C15 | C16 | H19 | 54.5° | 65.5° |
| H3 | C15 | C16 | H20 | 174.5° | 54.6° |
| H9 | C06 | C07 | H10 | 170.6° | 175.0° |
| H9 | C06 | C07 | H11 | 71.2° | 65.0° |
| H9 | C06 | N17 | H30 | 57.0° | 180.0° |
| H9 | C06 | C04 | OXT | 16.6° | 40.0° |
| H9 | C06 | N17 | H4 | 63.0° | 56.0° |
| H12 | C11 | C12 | H14 | 151.0° | 54.8° |
| H12 | C11 | C12 | H15 | 31.9° | 174.9° |
| H13 | C11 | C12 | H14 | 33.1° | 65.6° |
| H13 | C11 | C12 | H15 | 86.0° | 54.4° |
| H18 | C16 | H19 | H20 | 120.0° | 119.9° |
