H6M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | doub | 1.38Å | 1.43Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C27 | N28 | sing | 1.32Å | 1.36Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.43Å | Aromatic |
| N28 | C23 | doub | 1.33Å | 1.36Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.43Å | Aromatic |
| C23 | C22 | sing | 1.48Å | 1.59Å | |
| C22 | N29 | doub | 1.32Å | 1.37Å | Aromatic |
| C22 | N21 | sing | 1.32Å | 1.38Å | Aromatic |
| O17 | C16 | sing | 1.43Å | 1.46Å | |
| C16 | C15 | sing | 1.51Å | 1.55Å | |
| N29 | C07 | sing | 1.33Å | 1.37Å | Aromatic |
| N21 | C09 | doub | 1.33Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.55Å | 1.60Å | |
| C19 | N14 | sing | 1.45Å | 1.47Å | |
| C07 | N06 | sing | 1.39Å | 1.46Å | |
| C07 | C08 | doub | 1.39Å | 1.44Å | Aromatic |
| C15 | N14 | sing | 1.35Å | 1.44Å | |
| C15 | O18 | doub | 1.21Å | 1.27Å | |
| C09 | C08 | sing | 1.39Å | 1.44Å | Aromatic |
| C09 | N10 | sing | 1.39Å | 1.52Å | |
| C20 | N10 | sing | 1.41Å | 1.52Å | |
| N06 | C05 | sing | 1.47Å | 1.51Å | |
| N14 | C13 | sing | 1.48Å | 1.48Å | |
| N10 | C11 | sing | 1.46Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.54Å | 1.57Å | |
| C11 | C12 | sing | 1.51Å | 1.56Å | |
| C04 | C02 | sing | 1.51Å | 1.56Å | |
| C02 | O03 | doub | 1.21Å | 1.31Å | |
| C02 | O01 | sing | 1.34Å | 1.31Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| N06 | H22 | sing | 0.97Å | 1.00Å | |
| O01 | H23 | sing | 0.97Å | 0.95Å | |
| O17 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C25 | 117.8° | 119.3° |
| C26 | C27 | N28 | 121.8° | 120.9° |
| C27 | C26 | H20 | 121.1° | 120.4° |
| C26 | C27 | H21 | 119.1° | 119.5° |
| C26 | C25 | C24 | 118.5° | 118.5° |
| C26 | C25 | H19 | 120.8° | 120.8° |
| C25 | C26 | H20 | 121.1° | 120.3° |
| C27 | N28 | C23 | 122.6° | 121.6° |
| N28 | C27 | H21 | 119.1° | 119.6° |
| C25 | C24 | C23 | 121.2° | 119.1° |
| C25 | C24 | H18 | 119.4° | 120.5° |
| C24 | C25 | H19 | 120.7° | 120.7° |
| N28 | C23 | C24 | 118.2° | 120.6° |
| N28 | C23 | C22 | 119.2° | 119.7° |
| C24 | C23 | C22 | 122.7° | 119.7° |
| C23 | C24 | H18 | 119.4° | 120.5° |
| C23 | C22 | N29 | 117.9° | 119.1° |
| C23 | C22 | N21 | 119.0° | 119.1° |
| N29 | C22 | N21 | 123.0° | 121.8° |
| C22 | N29 | C07 | 119.6° | 120.8° |
| C22 | N21 | C09 | 119.0° | 120.8° |
| O17 | C16 | C15 | 108.9° | 109.5° |
| O17 | C16 | H12 | 109.6° | 109.5° |
| O17 | C16 | H13 | 109.6° | 109.4° |
| C16 | O17 | H24 | 109.5° | 114.0° |
| C16 | C15 | N14 | 124.4° | 120.0° |
| C16 | C15 | O18 | 118.9° | 120.0° |
| C15 | C16 | H12 | 109.6° | 109.5° |
| C15 | C16 | H13 | 109.6° | 109.5° |
| N29 | C07 | N06 | 119.0° | 120.5° |
| N29 | C07 | C08 | 120.8° | 119.1° |
| N21 | C09 | C08 | 120.8° | 119.1° |
| N21 | C09 | N10 | 119.0° | 120.5° |
| C20 | C19 | N14 | 115.5° | 109.7° |
| C19 | C20 | N10 | 117.2° | 110.0° |
| C20 | C19 | H14 | 107.9° | 109.4° |
| C20 | C19 | H15 | 108.0° | 109.4° |
| C19 | C20 | H16 | 107.5° | 109.4° |
| C19 | C20 | H17 | 107.5° | 109.4° |
| C19 | N14 | C15 | 119.5° | 118.8° |
| C19 | N14 | C13 | 116.7° | 122.5° |
| N14 | C19 | H14 | 107.9° | 109.4° |
| N14 | C19 | H15 | 108.0° | 109.4° |
| N06 | C07 | C08 | 120.2° | 120.5° |
| C07 | N06 | C05 | 123.6° | 120.0° |
| C07 | N06 | H22 | 105.8° | 120.0° |
| C07 | C08 | C09 | 116.8° | 118.4° |
| C07 | C08 | H5 | 121.6° | 120.7° |
| N14 | C15 | O18 | 116.6° | 120.0° |
| C15 | N14 | C13 | 123.8° | 118.7° |
| C08 | C09 | N10 | 120.2° | 120.4° |
| C09 | C08 | H5 | 121.6° | 120.8° |
| C09 | N10 | C20 | 116.0° | 111.0° |
| C09 | N10 | C11 | 113.8° | 111.0° |
| C20 | N10 | C11 | 113.1° | 116.4° |
| N10 | C20 | H16 | 107.5° | 109.3° |
| N10 | C20 | H17 | 107.5° | 109.4° |
| N06 | C05 | C04 | 112.1° | 109.5° |
| N06 | C05 | H3 | 108.8° | 109.4° |
| N06 | C05 | H4 | 108.8° | 109.5° |
| C05 | N06 | H22 | 105.8° | 120.0° |
| N14 | C13 | C12 | 113.5° | 111.3° |
| N14 | C13 | H10 | 108.5° | 109.1° |
| N14 | C13 | H11 | 108.5° | 109.1° |
| N10 | C11 | C12 | 118.1° | 109.1° |
| N10 | C11 | H6 | 107.3° | 109.6° |
| N10 | C11 | H7 | 107.3° | 109.6° |
| C05 | C04 | C02 | 112.4° | 109.5° |
| C05 | C04 | H1 | 108.7° | 109.5° |
| C05 | C04 | H2 | 108.7° | 109.5° |
| C04 | C05 | H3 | 108.8° | 109.5° |
| C04 | C05 | H4 | 108.8° | 109.4° |
| C13 | C12 | C11 | 114.8° | 109.7° |
| C13 | C12 | H8 | 108.1° | 109.5° |
| C13 | C12 | H9 | 108.1° | 109.4° |
| C12 | C13 | H10 | 108.5° | 109.1° |
| C12 | C13 | H11 | 108.4° | 109.1° |
| C12 | C11 | H6 | 107.2° | 109.6° |
| C12 | C11 | H7 | 107.3° | 109.5° |
| C11 | C12 | H8 | 108.1° | 109.4° |
| C11 | C12 | H9 | 108.1° | 109.4° |
| C04 | C02 | O03 | 121.5° | 120.0° |
| C04 | C02 | O01 | 121.3° | 120.0° |
| C02 | C04 | H1 | 108.8° | 109.5° |
| C02 | C04 | H2 | 108.8° | 109.5° |
| O03 | C02 | O01 | 117.1° | 120.0° |
| C02 | O01 | H23 | 109.5° | 117.0° |
| H1 | C04 | H2 | 109.4° | 109.4° |
| H3 | C05 | H4 | 109.4° | 109.6° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H10 | C13 | H11 | 109.5° | 109.1° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.4° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C25 | H20 | 180.0° | 179.7° |
| C26 | C27 | N28 | H21 | 180.0° | 179.8° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C26 | C27 | N28 | C23 | 0.1° | 0.5° |
| C27 | C26 | C25 | H19 | 180.0° | 180.0° |
| C25 | C26 | C27 | N28 | 0.0° | 0.2° |
| C26 | C25 | C24 | H19 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.0° | 0.0° |
| C26 | C25 | C24 | H18 | 180.0° | 179.9° |
| C25 | C26 | C27 | H21 | 179.9° | 180.0° |
| C27 | N28 | C23 | C24 | 0.1° | 0.5° |
| C27 | N28 | C23 | C22 | 180.0° | 179.8° |
| N28 | C27 | C26 | H20 | 179.9° | 179.9° |
| C25 | C24 | C23 | N28 | 0.1° | 0.3° |
| C25 | C24 | C23 | H18 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 179.9° | 180.0° |
| C24 | C25 | C26 | H20 | 180.0° | 179.7° |
| N28 | C23 | C24 | C22 | 179.8° | 179.7° |
| N28 | C23 | C22 | N29 | 17.3° | 179.7° |
| N28 | C23 | C22 | N21 | 162.5° | 0.2° |
| N28 | C23 | C24 | H18 | 179.9° | 179.8° |
| C23 | N28 | C27 | H21 | 179.9° | 179.7° |
| C24 | C23 | C22 | N29 | 162.5° | 0.0° |
| C24 | C23 | C22 | N21 | 17.7° | 179.5° |
| C23 | C24 | C25 | H19 | 180.0° | 179.9° |
| C23 | C22 | N29 | N21 | 179.8° | 179.5° |
| C23 | C22 | N29 | C07 | 179.8° | 180.0° |
| C23 | C22 | N21 | C09 | 179.6° | 179.7° |
| C22 | C23 | C24 | H18 | 0.1° | 0.1° |
| N29 | C22 | N21 | C09 | 0.6° | 0.2° |
| C22 | N29 | C07 | N06 | 179.7° | 179.8° |
| C22 | N29 | C07 | C08 | 0.6° | 0.5° |
| N21 | C22 | N29 | C07 | 0.4° | 0.5° |
| C22 | N21 | C09 | C08 | 0.9° | 0.1° |
| C22 | N21 | C09 | N10 | 179.7° | 180.0° |
| O17 | C16 | C15 | H12 | 119.9° | 120.0° |
| O17 | C16 | C15 | H13 | 119.9° | 120.0° |
| O17 | C16 | C15 | N14 | 80.4° | 180.0° |
| O17 | C16 | C15 | O18 | 99.8° | 0.0° |
| O17 | C16 | H12 | H13 | 120.2° | 120.0° |
| C16 | C15 | N14 | C19 | 0.6° | 0.0° |
| C16 | C15 | N14 | O18 | 179.9° | 180.0° |
| C16 | C15 | N14 | C13 | 179.5° | 180.0° |
| C15 | C16 | H12 | H13 | 120.3° | 120.0° |
| C15 | C16 | O17 | H24 | 180.0° | 180.0° |
| N29 | C07 | N06 | C08 | 179.1° | 179.7° |
| N29 | C07 | C08 | C09 | 0.9° | 0.2° |
| N29 | C07 | N06 | C05 | 179.7° | 179.7° |
| N29 | C07 | C08 | H5 | 179.1° | 179.7° |
| N29 | C07 | N06 | H22 | 57.7° | 0.3° |
| N21 | C09 | C08 | C07 | 1.1° | 0.1° |
| N21 | C09 | C08 | N10 | 178.7° | 179.9° |
| N21 | C09 | N10 | C20 | 25.8° | 123.9° |
| N21 | C09 | N10 | C11 | 159.7° | 7.2° |
| N21 | C09 | C08 | H5 | 179.0° | 180.0° |
| C20 | C19 | N14 | H14 | 120.9° | 120.0° |
| C20 | C19 | N14 | H15 | 120.9° | 120.0° |
| C20 | C19 | N14 | C15 | 153.6° | 90.3° |
| C19 | C20 | N10 | C09 | 50.4° | 168.3° |
| C19 | C20 | N10 | H16 | 121.1° | 120.1° |
| C19 | C20 | N10 | H17 | 121.1° | 120.2° |
| C20 | C19 | N14 | C13 | 25.4° | 89.7° |
| C19 | C20 | N10 | C11 | 83.8° | 63.5° |
| C20 | C19 | H14 | H15 | 117.3° | 119.9° |
| C19 | C20 | H16 | H17 | 116.5° | 119.8° |
| C19 | N14 | C15 | C13 | 178.9° | 180.0° |
| C19 | N14 | C15 | O18 | 179.6° | 180.0° |
| N14 | C19 | C20 | N10 | 53.9° | 69.7° |
| C19 | N14 | C13 | C12 | 85.4° | 41.7° |
| C19 | N14 | C13 | H10 | 35.2° | 162.2° |
| C19 | N14 | C13 | H11 | 154.0° | 78.8° |
| N14 | C19 | H14 | H15 | 117.3° | 119.9° |
| N14 | C19 | C20 | H16 | 175.0° | 50.4° |
| N14 | C19 | C20 | H17 | 67.3° | 170.2° |
| N06 | C07 | C08 | C09 | 180.0° | 179.9° |
| C07 | N06 | C05 | H22 | 121.9° | 180.0° |
| C07 | N06 | C05 | C04 | 86.8° | 180.0° |
| C07 | N06 | C05 | H3 | 33.6° | 60.1° |
| C07 | N06 | C05 | H4 | 152.8° | 60.0° |
| N06 | C07 | C08 | H5 | 0.0° | 0.0° |
| C07 | C08 | C09 | H5 | 180.0° | 179.9° |
| C07 | C08 | C09 | N10 | 179.8° | 179.9° |
| C08 | C07 | N06 | C05 | 1.2° | 0.0° |
| C08 | C07 | N06 | H22 | 123.2° | 180.0° |
| C15 | N14 | C13 | C12 | 93.5° | 138.3° |
| C15 | N14 | C13 | H10 | 145.9° | 17.8° |
| C15 | N14 | C13 | H11 | 27.0° | 101.2° |
| N14 | C15 | C16 | H12 | 39.5° | 60.0° |
| N14 | C15 | C16 | H13 | 159.7° | 60.0° |
| C15 | N14 | C19 | H14 | 85.5° | 149.7° |
| C15 | N14 | C19 | H15 | 32.7° | 29.7° |
| O18 | C15 | N14 | C13 | 0.7° | 0.0° |
| O18 | C15 | C16 | H12 | 140.3° | 120.0° |
| O18 | C15 | C16 | H13 | 20.2° | 120.0° |
| C08 | C09 | N10 | C20 | 155.4° | 56.0° |
| C08 | C09 | N10 | C11 | 21.6° | 172.9° |
| C09 | N10 | C20 | C11 | 134.1° | 128.2° |
| C09 | N10 | C11 | C12 | 76.6° | 144.8° |
| N10 | C09 | C08 | H5 | 0.2° | 0.1° |
| C09 | N10 | C11 | H6 | 44.6° | 24.9° |
| C09 | N10 | C11 | H7 | 162.1° | 95.4° |
| C09 | N10 | C20 | H16 | 70.7° | 71.5° |
| C09 | N10 | C20 | H17 | 171.5° | 48.2° |
| C20 | N10 | C11 | C12 | 58.5° | 87.0° |
| C20 | N10 | C11 | H6 | 179.8° | 153.1° |
| C20 | N10 | C11 | H7 | 62.7° | 32.9° |
| N10 | C20 | C19 | H14 | 174.7° | 50.3° |
| N10 | C20 | C19 | H15 | 67.0° | 170.2° |
| N10 | C20 | H16 | H17 | 116.5° | 119.7° |
| N06 | C05 | C04 | H3 | 120.4° | 119.9° |
| N06 | C05 | C04 | H4 | 120.4° | 120.0° |
| N06 | C05 | C04 | C02 | 166.4° | 180.0° |
| N06 | C05 | C04 | H1 | 73.2° | 60.0° |
| N06 | C05 | C04 | H2 | 45.9° | 60.0° |
| N06 | C05 | H3 | H4 | 118.8° | 120.0° |
| N14 | C13 | C12 | H10 | 120.6° | 120.4° |
| N14 | C13 | C12 | H11 | 120.6° | 120.4° |
| N14 | C13 | C12 | C11 | 77.3° | 40.0° |
| N14 | C13 | C12 | H8 | 161.9° | 160.1° |
| N14 | C13 | C12 | H9 | 43.5° | 80.0° |
| N14 | C13 | H10 | H11 | 118.2° | 119.1° |
| C13 | N14 | C19 | H14 | 95.5° | 30.3° |
| C13 | N14 | C19 | H15 | 146.3° | 150.2° |
| N10 | C11 | C12 | C13 | 49.7° | 92.4° |
| N10 | C11 | C12 | H6 | 121.2° | 119.9° |
| N10 | C11 | C12 | H7 | 121.2° | 119.9° |
| N10 | C11 | H6 | H7 | 116.1° | 120.2° |
| N10 | C11 | C12 | H8 | 170.4° | 147.5° |
| N10 | C11 | C12 | H9 | 71.1° | 27.7° |
| C11 | N10 | C20 | H16 | 155.1° | 56.7° |
| C11 | N10 | C20 | H17 | 37.3° | 176.4° |
| C05 | C04 | C02 | H1 | 120.4° | 120.0° |
| C05 | C04 | C02 | H2 | 120.4° | 120.0° |
| C05 | C04 | C02 | O03 | 44.9° | 0.0° |
| C05 | C04 | C02 | O01 | 134.7° | 179.7° |
| C05 | C04 | H1 | H2 | 118.6° | 120.0° |
| C04 | C05 | H3 | H4 | 118.8° | 120.0° |
| C04 | C05 | N06 | H22 | 151.2° | 0.0° |
| C13 | C12 | C11 | H8 | 120.8° | 120.1° |
| C13 | C12 | C11 | H9 | 120.8° | 120.0° |
| C13 | C12 | C11 | H6 | 170.9° | 147.7° |
| C13 | C12 | C11 | H7 | 71.6° | 27.6° |
| C13 | C12 | H8 | H9 | 117.6° | 119.9° |
| C12 | C13 | H10 | H11 | 118.2° | 119.1° |
| C12 | C11 | H6 | H7 | 116.0° | 120.1° |
| C11 | C12 | H8 | H9 | 117.6° | 119.9° |
| C11 | C12 | C13 | H10 | 43.3° | 80.4° |
| C11 | C12 | C13 | H11 | 162.1° | 160.5° |
| C04 | C02 | O03 | O01 | 179.6° | 179.8° |
| C02 | C04 | H1 | H2 | 118.7° | 120.0° |
| C02 | C04 | C05 | H3 | 46.0° | 60.1° |
| C02 | C04 | C05 | H4 | 73.2° | 60.0° |
| C04 | C02 | O01 | H23 | 179.6° | 179.7° |
| O03 | C02 | C04 | H1 | 165.3° | 120.1° |
| O03 | C02 | C04 | H2 | 75.5° | 120.0° |
| O03 | C02 | O01 | H23 | 0.0° | 0.1° |
| O01 | C02 | C04 | H1 | 14.3° | 59.7° |
| O01 | C02 | C04 | H2 | 104.9° | 60.2° |
| H1 | C04 | C05 | H3 | 166.4° | 179.9° |
| H1 | C04 | C05 | H4 | 47.2° | 60.0° |
| H2 | C04 | C05 | H3 | 74.5° | 60.0° |
| H2 | C04 | C05 | H4 | 166.3° | 180.0° |
| H3 | C05 | N06 | H22 | 88.4° | 120.0° |
| H4 | C05 | N06 | H22 | 30.8° | 119.9° |
| H6 | C11 | C12 | H8 | 68.3° | 27.6° |
| H6 | C11 | C12 | H9 | 50.1° | 92.3° |
| H7 | C11 | C12 | H8 | 49.2° | 92.6° |
| H7 | C11 | C12 | H9 | 167.6° | 147.6° |
| H8 | C12 | C13 | H10 | 77.5° | 39.6° |
| H8 | C12 | C13 | H11 | 41.4° | 79.5° |
| H9 | C12 | C13 | H10 | 164.1° | 159.5° |
| H9 | C12 | C13 | H11 | 77.1° | 40.4° |
| H12 | C16 | O17 | H24 | 60.1° | 60.0° |
| H13 | C16 | O17 | H24 | 60.1° | 60.0° |
| H14 | C19 | C20 | H16 | 64.2° | 170.4° |
| H14 | C19 | C20 | H17 | 53.6° | 69.8° |
| H15 | C19 | C20 | H16 | 54.1° | 69.7° |
| H15 | C19 | C20 | H17 | 171.8° | 50.1° |
| H18 | C24 | C25 | H19 | 0.0° | 0.0° |
| H19 | C25 | C26 | H20 | 0.0° | 0.3° |
| H20 | C26 | C27 | H21 | 0.1° | 0.3° |
