1HM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F30 | C27 | sing | 1.40Å | 1.37Å | |
| F28 | C27 | sing | 1.40Å | 1.35Å | |
| F13 | C12 | sing | 1.35Å | 1.35Å | |
| C27 | F29 | sing | 1.40Å | 1.34Å | |
| C27 | C1 | sing | 1.53Å | 1.57Å | |
| C2 | C1 | sing | 1.54Å | 1.52Å | |
| C2 | C6 | sing | 1.53Å | 1.58Å | |
| F31 | C15 | sing | 1.40Å | 1.45Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.46Å | Aromatic |
| C1 | O3 | sing | 1.43Å | 1.46Å | |
| C11 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | C6 | sing | 1.53Å | 1.56Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | N5 | sing | 1.46Å | 1.46Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| O3 | C4 | sing | 1.35Å | 1.32Å | |
| C10 | C9 | doub | 1.39Å | 1.46Å | Aromatic |
| N5 | C4 | doub | 1.29Å | 1.32Å | |
| C4 | N14 | sing | 1.37Å | 1.40Å | |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | N16 | sing | 1.40Å | 1.40Å | |
| O19 | C17 | doub | 1.21Å | 1.23Å | |
| N16 | C17 | sing | 1.35Å | 1.37Å | |
| C17 | C18 | sing | 1.48Å | 1.46Å | |
| C18 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | N20 | sing | 1.33Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| N20 | C21 | doub | 1.31Å | 1.35Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.44Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.37Å | Aromatic |
| C22 | C25 | sing | 1.43Å | 1.44Å | |
| C25 | N26 | trip | 1.14Å | 1.15Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| N14 | H9 | sing | 0.97Å | 1.00Å | |
| N14 | H10 | sing | 0.97Å | 1.00Å | |
| N16 | H11 | sing | 0.97Å | 1.00Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F30 | C27 | F28 | 114.7° | 109.5° |
| F30 | C27 | F29 | 112.0° | 109.4° |
| F30 | C27 | C1 | 105.7° | 109.5° |
| F28 | C27 | F29 | 109.8° | 109.5° |
| F28 | C27 | C1 | 109.8° | 109.5° |
| F13 | C12 | C11 | 118.9° | 120.0° |
| F13 | C12 | C7 | 117.0° | 120.0° |
| F29 | C27 | C1 | 104.3° | 109.5° |
| C27 | C1 | C2 | 107.9° | 109.8° |
| C27 | C1 | O3 | 108.3° | 109.7° |
| C27 | C1 | H1 | 109.6° | 109.8° |
| C1 | C2 | C6 | 106.2° | 108.1° |
| C2 | C1 | O3 | 109.5° | 108.0° |
| C2 | C1 | H1 | 110.3° | 109.7° |
| C1 | C2 | H2 | 110.3° | 109.8° |
| C1 | C2 | H3 | 110.3° | 109.8° |
| C2 | C6 | C15 | 115.4° | 109.4° |
| C2 | C6 | C7 | 114.7° | 109.4° |
| C2 | C6 | N5 | 105.1° | 109.7° |
| C6 | C2 | H2 | 110.3° | 109.7° |
| C6 | C2 | H3 | 110.3° | 109.7° |
| F31 | C15 | C6 | 108.2° | 109.5° |
| F31 | C15 | H4 | 109.8° | 109.4° |
| F31 | C15 | H5 | 109.8° | 109.5° |
| C11 | C12 | C7 | 123.9° | 120.1° |
| C12 | C11 | C10 | 117.6° | 120.0° |
| C12 | C11 | H8 | 121.2° | 120.0° |
| C12 | C7 | C6 | 120.1° | 119.9° |
| C12 | C7 | C8 | 118.8° | 120.1° |
| C1 | O3 | C4 | 119.1° | 117.3° |
| O3 | C1 | H1 | 111.1° | 109.8° |
| C11 | C10 | C9 | 118.2° | 119.9° |
| C11 | C10 | H7 | 120.9° | 120.1° |
| C10 | C11 | H8 | 121.2° | 120.0° |
| C15 | C6 | C7 | 109.8° | 109.5° |
| C15 | C6 | N5 | 100.6° | 109.4° |
| C6 | C15 | H4 | 109.8° | 109.4° |
| C6 | C15 | H5 | 109.8° | 109.5° |
| C7 | C6 | N5 | 110.1° | 109.4° |
| C6 | C7 | C8 | 120.9° | 120.0° |
| C6 | N5 | C4 | 125.8° | 123.4° |
| C7 | C8 | C9 | 117.7° | 119.9° |
| C7 | C8 | H6 | 121.1° | 120.1° |
| O3 | C4 | N5 | 121.8° | 123.8° |
| O3 | C4 | N14 | 113.5° | 118.1° |
| C10 | C9 | C8 | 123.7° | 119.9° |
| C10 | C9 | N16 | 121.9° | 120.0° |
| C9 | C10 | H7 | 120.9° | 120.0° |
| N5 | C4 | N14 | 124.6° | 118.1° |
| C4 | N14 | H9 | 120.0° | 120.0° |
| C4 | N14 | H10 | 120.0° | 120.0° |
| C8 | C9 | N16 | 113.9° | 120.1° |
| C9 | C8 | H6 | 121.2° | 120.0° |
| C9 | N16 | C17 | 129.2° | 120.0° |
| C9 | N16 | H11 | 115.4° | 120.0° |
| O19 | C17 | N16 | 123.0° | 120.0° |
| O19 | C17 | C18 | 120.8° | 120.0° |
| N16 | C17 | C18 | 116.2° | 120.0° |
| C17 | N16 | H11 | 115.4° | 120.0° |
| C17 | C18 | C24 | 120.3° | 119.5° |
| C17 | C18 | N20 | 117.8° | 119.6° |
| C24 | C18 | N20 | 121.9° | 120.9° |
| C18 | C24 | C23 | 115.9° | 119.2° |
| C18 | C24 | H14 | 122.1° | 120.4° |
| C18 | N20 | C21 | 122.5° | 121.8° |
| C24 | C23 | C22 | 120.0° | 118.4° |
| C24 | C23 | H13 | 120.0° | 120.8° |
| C23 | C24 | H14 | 122.0° | 120.4° |
| N20 | C21 | C22 | 119.1° | 120.7° |
| N20 | C21 | H12 | 120.4° | 119.6° |
| C23 | C22 | C21 | 120.0° | 119.1° |
| C23 | C22 | C25 | 119.5° | 120.5° |
| C22 | C23 | H13 | 120.0° | 120.8° |
| C21 | C22 | C25 | 120.5° | 120.5° |
| C22 | C21 | H12 | 120.4° | 119.7° |
| C22 | C25 | N26 | 179.4° | 180.0° |
| H2 | C2 | H3 | 109.5° | 109.8° |
| H4 | C15 | H5 | 109.4° | 109.5° |
| H9 | N14 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F30 | C27 | F28 | F29 | 127.1° | 119.9° |
| F30 | C27 | F28 | C1 | 118.8° | 120.0° |
| F30 | C27 | F29 | C1 | 113.8° | 120.0° |
| F30 | C27 | C1 | C2 | 65.0° | 61.5° |
| F30 | C27 | C1 | O3 | 176.5° | 180.0° |
| F30 | C27 | C1 | H1 | 55.1° | 59.2° |
| F28 | C27 | F29 | C1 | 117.5° | 120.1° |
| F28 | C27 | C1 | C2 | 59.2° | 58.5° |
| F28 | C27 | C1 | O3 | 59.2° | 60.0° |
| F28 | C27 | C1 | H1 | 179.4° | 179.2° |
| F13 | C12 | C11 | C7 | 174.9° | 179.6° |
| F13 | C12 | C11 | C10 | 177.5° | 179.8° |
| F13 | C12 | C7 | C6 | 6.4° | 0.3° |
| F13 | C12 | C7 | C8 | 179.1° | 179.7° |
| F13 | C12 | C11 | H8 | 2.5° | 0.4° |
| F29 | C27 | C1 | C2 | 176.8° | 178.6° |
| F29 | C27 | C1 | O3 | 58.3° | 60.0° |
| F29 | C27 | C1 | H1 | 63.1° | 60.7° |
| C27 | C1 | C2 | O3 | 117.7° | 119.6° |
| C27 | C1 | C2 | H1 | 119.7° | 120.7° |
| C27 | C1 | C2 | C6 | 179.3° | 179.3° |
| C27 | C1 | O3 | H1 | 120.4° | 120.8° |
| C27 | C1 | O3 | C4 | 151.7° | 165.6° |
| C27 | C1 | C2 | H2 | 59.7° | 61.0° |
| C27 | C1 | C2 | H3 | 61.2° | 59.7° |
| C1 | C2 | C6 | H2 | 119.5° | 119.7° |
| C1 | C2 | C6 | H3 | 119.5° | 119.7° |
| C2 | C1 | O3 | H1 | 122.1° | 119.6° |
| C1 | C2 | C6 | C15 | 165.5° | 166.9° |
| C1 | C2 | C6 | C7 | 65.4° | 73.2° |
| C1 | C2 | C6 | N5 | 55.7° | 46.9° |
| C2 | C1 | O3 | C4 | 34.2° | 46.0° |
| C1 | C2 | H2 | H3 | 121.5° | 120.7° |
| C2 | C6 | C15 | F31 | 46.1° | 60.0° |
| C2 | C6 | C7 | C12 | 72.0° | 60.0° |
| C6 | C2 | C1 | O3 | 61.6° | 61.1° |
| C2 | C6 | C15 | C7 | 131.5° | 119.9° |
| C2 | C6 | C15 | N5 | 112.5° | 120.2° |
| C2 | C6 | C7 | N5 | 118.3° | 120.2° |
| C2 | C6 | C7 | C8 | 113.5° | 120.0° |
| C2 | C6 | N5 | C4 | 26.1° | 18.0° |
| C6 | C2 | C1 | H1 | 61.0° | 58.6° |
| C6 | C2 | H2 | H3 | 121.5° | 120.6° |
| C2 | C6 | C15 | H4 | 165.9° | 180.0° |
| C2 | C6 | C15 | H5 | 73.8° | 60.0° |
| F31 | C15 | C6 | H4 | 119.8° | 120.0° |
| F31 | C15 | C6 | H5 | 119.8° | 120.1° |
| F31 | C15 | C6 | C7 | 177.6° | 59.9° |
| F31 | C15 | C6 | N5 | 66.4° | 179.7° |
| F31 | C15 | H4 | H5 | 120.6° | 120.0° |
| C12 | C11 | C10 | H8 | 180.0° | 179.8° |
| C11 | C12 | C7 | C6 | 178.6° | 179.9° |
| C11 | C12 | C7 | C8 | 4.1° | 0.1° |
| C12 | C11 | C10 | C9 | 0.2° | 0.1° |
| C12 | C11 | C10 | H7 | 179.8° | 179.9° |
| C7 | C12 | C11 | C10 | 2.6° | 0.1° |
| C12 | C7 | C6 | C15 | 59.8° | 59.9° |
| C12 | C7 | C6 | C8 | 174.4° | 180.0° |
| C12 | C7 | C6 | N5 | 169.6° | 179.7° |
| C12 | C7 | C8 | C9 | 2.6° | 0.0° |
| C12 | C7 | C8 | H6 | 177.4° | 179.9° |
| C7 | C12 | C11 | H8 | 177.4° | 180.0° |
| C1 | O3 | C4 | N5 | 0.1° | 15.8° |
| C1 | O3 | C4 | N14 | 175.6° | 164.2° |
| O3 | C1 | C2 | H2 | 57.9° | 58.6° |
| O3 | C1 | C2 | H3 | 178.9° | 179.3° |
| C11 | C10 | C9 | H7 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 1.6° | 0.1° |
| C11 | C10 | C9 | N16 | 172.8° | 180.0° |
| C15 | C6 | C7 | N5 | 109.9° | 119.9° |
| C15 | C6 | C7 | C8 | 114.7° | 120.1° |
| C15 | C6 | N5 | C4 | 146.2° | 138.1° |
| C15 | C6 | C2 | H2 | 46.1° | 47.3° |
| C15 | C6 | C2 | H3 | 75.0° | 73.4° |
| C6 | C15 | H4 | H5 | 120.6° | 120.0° |
| C7 | C6 | N5 | C4 | 98.0° | 102.0° |
| C6 | C7 | C8 | C9 | 177.1° | 180.0° |
| C7 | C6 | C2 | H2 | 175.2° | 167.2° |
| C7 | C6 | C2 | H3 | 54.1° | 46.5° |
| C7 | C6 | C15 | H4 | 62.6° | 60.1° |
| C7 | C6 | C15 | H5 | 57.7° | 179.9° |
| C6 | C7 | C8 | H6 | 2.9° | 0.1° |
| N5 | C6 | C7 | C8 | 4.8° | 0.2° |
| C6 | N5 | C4 | O3 | 3.3° | 0.6° |
| C6 | N5 | C4 | N14 | 178.5° | 179.4° |
| N5 | C6 | C2 | H2 | 63.7° | 72.8° |
| N5 | C6 | C2 | H3 | 175.2° | 166.5° |
| N5 | C6 | C15 | H4 | 53.4° | 59.8° |
| N5 | C6 | C15 | H5 | 173.8° | 60.2° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | N16 | 172.0° | 179.9° |
| O3 | C4 | N5 | N14 | 175.2° | 180.0° |
| C4 | O3 | C1 | H1 | 87.9° | 73.6° |
| O3 | C4 | N14 | H9 | 0.0° | 0.0° |
| O3 | C4 | N14 | H10 | 180.0° | 179.9° |
| C10 | C9 | C8 | N16 | 171.9° | 179.9° |
| C10 | C9 | N16 | C17 | 5.6° | 33.4° |
| C10 | C9 | C8 | H6 | 179.9° | 179.9° |
| C9 | C10 | C11 | H8 | 179.8° | 180.0° |
| C10 | C9 | N16 | H11 | 174.4° | 146.6° |
| N5 | C4 | N14 | H9 | 175.6° | 180.0° |
| N5 | C4 | N14 | H10 | 4.4° | 0.0° |
| C4 | N14 | H9 | H10 | 180.0° | 180.0° |
| C8 | C9 | N16 | C17 | 166.5° | 146.7° |
| C8 | C9 | C10 | H7 | 178.4° | 180.0° |
| C8 | C9 | N16 | H11 | 13.6° | 33.3° |
| C9 | N16 | C17 | O19 | 1.2° | 5.2° |
| C9 | N16 | C17 | H11 | 180.0° | 179.9° |
| C9 | N16 | C17 | C18 | 175.3° | 174.7° |
| N16 | C9 | C8 | H6 | 8.0° | 0.0° |
| N16 | C9 | C10 | H7 | 7.2° | 0.1° |
| O19 | C17 | N16 | C18 | 176.5° | 180.0° |
| O19 | C17 | C18 | C24 | 10.1° | 0.0° |
| O19 | C17 | C18 | N20 | 167.9° | 179.7° |
| O19 | C17 | N16 | H11 | 178.7° | 174.7° |
| N16 | C17 | C18 | C24 | 166.5° | 180.0° |
| N16 | C17 | C18 | N20 | 15.5° | 0.3° |
| C17 | C18 | C24 | N20 | 177.9° | 179.7° |
| C17 | C18 | C24 | C23 | 176.4° | 179.8° |
| C17 | C18 | N20 | C21 | 174.3° | 179.9° |
| C18 | C17 | N16 | H11 | 4.7° | 5.3° |
| C17 | C18 | C24 | H14 | 3.6° | 0.1° |
| C18 | C24 | C23 | H14 | 180.0° | 179.7° |
| C24 | C18 | N20 | C21 | 7.8° | 0.2° |
| C18 | C24 | C23 | C22 | 3.9° | 0.5° |
| C18 | C24 | C23 | H13 | 176.1° | 179.7° |
| N20 | C18 | C24 | C23 | 5.6° | 0.5° |
| C18 | N20 | C21 | C22 | 7.7° | 0.0° |
| C18 | N20 | C21 | H12 | 172.3° | 180.0° |
| N20 | C18 | C24 | H14 | 174.4° | 179.8° |
| C24 | C23 | C22 | H13 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 4.2° | 0.3° |
| C24 | C23 | C22 | C25 | 176.7° | 179.8° |
| N20 | C21 | C22 | C23 | 5.8° | 0.0° |
| N20 | C21 | C22 | H12 | 180.0° | 180.0° |
| N20 | C21 | C22 | C25 | 175.0° | 179.9° |
| C23 | C22 | C21 | C25 | 179.1° | 179.9° |
| C23 | C22 | C25 | N26 | 12.3° | 126.7° |
| C23 | C22 | C21 | H12 | 174.2° | 180.0° |
| C22 | C23 | C24 | H14 | 176.1° | 179.8° |
| C21 | C22 | C25 | N26 | 166.9° | 53.3° |
| C21 | C22 | C23 | H13 | 175.8° | 180.0° |
| C25 | C22 | C21 | H12 | 5.0° | 0.1° |
| C25 | C22 | C23 | H13 | 3.4° | 0.0° |
| H1 | C1 | C2 | H2 | 179.5° | 178.2° |
| H1 | C1 | C2 | H3 | 58.5° | 61.1° |
| H7 | C10 | C11 | H8 | 0.2° | 0.1° |
| H13 | C23 | C24 | H14 | 3.9° | 0.0° |
