3HN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F25 | C24 | sing | 1.35Å | 1.34Å | |
| C26 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | N32 | doub | 1.32Å | 1.35Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| N32 | C02 | sing | 1.32Å | 1.34Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | N20 | sing | 1.40Å | 1.42Å | |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | N05 | sing | 1.39Å | 1.42Å | |
| N20 | C18 | sing | 1.35Å | 1.42Å | |
| N05 | C06 | sing | 1.35Å | 1.43Å | |
| N17 | C18 | sing | 1.35Å | 1.43Å | |
| N17 | C16 | sing | 1.41Å | 1.42Å | |
| C18 | O19 | doub | 1.22Å | 1.22Å | |
| C16 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.36Å | 1.39Å | Aromatic |
| C28 | N29 | doub | 1.31Å | 1.34Å | Aromatic |
| C06 | O07 | doub | 1.22Å | 1.22Å | |
| C06 | C08 | sing | 1.48Å | 1.52Å | |
| C15 | N14 | sing | 1.36Å | 1.34Å | Aromatic |
| C13 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| N29 | N14 | sing | 1.40Å | 1.34Å | Aromatic |
| N14 | C12 | sing | 1.40Å | 1.34Å | |
| C08 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| N05 | H6 | sing | 0.97Å | 1.00Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| N17 | H11 | sing | 0.97Å | 1.00Å | |
| N20 | H12 | sing | 0.97Å | 1.00Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F25 | C24 | C26 | 120.1° | 120.0° |
| F25 | C24 | C23 | 120.0° | 119.9° |
| C24 | C26 | C27 | 120.1° | 120.0° |
| C26 | C24 | C23 | 119.9° | 120.1° |
| C24 | C26 | H15 | 120.0° | 120.0° |
| C26 | C27 | C21 | 120.1° | 120.0° |
| C27 | C26 | H15 | 120.0° | 120.0° |
| C26 | C27 | H16 | 119.9° | 120.0° |
| C24 | C23 | C22 | 120.1° | 120.0° |
| C24 | C23 | H14 | 120.0° | 120.0° |
| N32 | C31 | C30 | 120.2° | 120.9° |
| C31 | N32 | C02 | 120.7° | 121.9° |
| N32 | C31 | H19 | 119.9° | 119.6° |
| C31 | C30 | C04 | 120.1° | 119.0° |
| C31 | C30 | H18 | 120.0° | 120.5° |
| C30 | C31 | H19 | 119.9° | 119.6° |
| C27 | C21 | C22 | 119.7° | 119.9° |
| C27 | C21 | N20 | 121.5° | 120.0° |
| C21 | C27 | H16 | 120.0° | 120.0° |
| N32 | C02 | C01 | 119.5° | 119.6° |
| N32 | C02 | C03 | 121.2° | 120.8° |
| C23 | C22 | C21 | 120.2° | 120.0° |
| C23 | C22 | H13 | 119.9° | 120.0° |
| C22 | C23 | H14 | 119.9° | 120.0° |
| C30 | C04 | C03 | 118.5° | 118.3° |
| C30 | C04 | N05 | 122.5° | 120.8° |
| C04 | C30 | H18 | 120.0° | 120.5° |
| C01 | C02 | C03 | 119.3° | 119.6° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.4° | 109.5° |
| C02 | C03 | C04 | 119.2° | 119.1° |
| C02 | C03 | H5 | 120.4° | 120.4° |
| C22 | C21 | N20 | 118.8° | 120.1° |
| C21 | C22 | H13 | 119.9° | 120.0° |
| C21 | N20 | C18 | 124.0° | 120.0° |
| C21 | N20 | H12 | 118.0° | 120.0° |
| C03 | C04 | N05 | 119.0° | 120.9° |
| C04 | C03 | H5 | 120.4° | 120.5° |
| C04 | N05 | C06 | 123.5° | 120.0° |
| C04 | N05 | H6 | 118.2° | 120.0° |
| N20 | C18 | N17 | 122.6° | 120.0° |
| N20 | C18 | O19 | 117.3° | 120.0° |
| C18 | N20 | H12 | 118.0° | 120.0° |
| N05 | C06 | O07 | 121.1° | 120.0° |
| N05 | C06 | C08 | 119.5° | 120.0° |
| C06 | N05 | H6 | 118.2° | 119.9° |
| C18 | N17 | C16 | 121.8° | 120.0° |
| N17 | C18 | O19 | 120.1° | 120.1° |
| C18 | N17 | H11 | 119.1° | 120.1° |
| N17 | C16 | C28 | 125.4° | 126.1° |
| N17 | C16 | C15 | 128.1° | 126.1° |
| C16 | N17 | H11 | 119.1° | 120.0° |
| C28 | C16 | C15 | 106.5° | 107.9° |
| C16 | C28 | N29 | 107.2° | 108.4° |
| C16 | C28 | H17 | 126.4° | 125.8° |
| C16 | C15 | N14 | 107.9° | 107.5° |
| C16 | C15 | H10 | 126.1° | 126.2° |
| C28 | N29 | N14 | 109.9° | 108.4° |
| N29 | C28 | H17 | 126.4° | 125.8° |
| O07 | C06 | C08 | 119.4° | 120.0° |
| C06 | C08 | C13 | 120.1° | 120.1° |
| C06 | C08 | C09 | 120.5° | 120.1° |
| C15 | N14 | N29 | 108.4° | 107.8° |
| C15 | N14 | C12 | 126.6° | 126.1° |
| N14 | C15 | H10 | 126.1° | 126.3° |
| C08 | C13 | C12 | 120.6° | 119.7° |
| C13 | C08 | C09 | 119.4° | 119.8° |
| C08 | C13 | H9 | 119.7° | 120.1° |
| C13 | C12 | N14 | 119.4° | 120.0° |
| C13 | C12 | C11 | 120.0° | 120.1° |
| C12 | C13 | H9 | 119.7° | 120.1° |
| N29 | N14 | C12 | 125.0° | 126.1° |
| N14 | C12 | C11 | 120.6° | 120.0° |
| C08 | C09 | C10 | 120.1° | 120.0° |
| C08 | C09 | H7 | 119.9° | 120.0° |
| C12 | C11 | C10 | 119.7° | 120.2° |
| C12 | C11 | H8 | 120.2° | 120.0° |
| C09 | C10 | C11 | 120.3° | 120.2° |
| C09 | C10 | H1 | 119.8° | 119.9° |
| C10 | C09 | H7 | 119.9° | 120.0° |
| C11 | C10 | H1 | 119.9° | 119.9° |
| C10 | C11 | H8 | 120.2° | 119.8° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F25 | C24 | C26 | C23 | 179.8° | 180.0° |
| F25 | C24 | C26 | C27 | 180.0° | 179.7° |
| F25 | C24 | C23 | C22 | 179.9° | 180.0° |
| F25 | C24 | C23 | H14 | 0.1° | 0.0° |
| F25 | C24 | C26 | H15 | 0.0° | 0.0° |
| C24 | C26 | C27 | H15 | 180.0° | 179.7° |
| C24 | C26 | C27 | C21 | 0.4° | 0.6° |
| C26 | C24 | C23 | C22 | 0.3° | 0.0° |
| C26 | C24 | C23 | H14 | 179.7° | 180.0° |
| C24 | C26 | C27 | H16 | 179.6° | 180.0° |
| C27 | C26 | C24 | C23 | 0.1° | 0.3° |
| C26 | C27 | C21 | H16 | 180.0° | 179.4° |
| C26 | C27 | C21 | C22 | 0.7° | 0.5° |
| C26 | C27 | C21 | N20 | 179.5° | 179.8° |
| C24 | C23 | C22 | H14 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.0° | 0.1° |
| C24 | C23 | C22 | H13 | 180.0° | 180.0° |
| C23 | C24 | C26 | H15 | 179.9° | 180.0° |
| N32 | C31 | C30 | H19 | 180.0° | 179.4° |
| N32 | C31 | C30 | C04 | 0.5° | 0.3° |
| C31 | N32 | C02 | C01 | 180.0° | 179.7° |
| C31 | N32 | C02 | C03 | 0.0° | 0.6° |
| N32 | C31 | C30 | H18 | 179.5° | 179.7° |
| C30 | C31 | N32 | C02 | 0.1° | 0.6° |
| C31 | C30 | C04 | H18 | 180.0° | 180.0° |
| C31 | C30 | C04 | C03 | 0.8° | 0.0° |
| C31 | C30 | C04 | N05 | 179.5° | 180.0° |
| C27 | C21 | C22 | C23 | 0.5° | 0.2° |
| C27 | C21 | C22 | N20 | 178.8° | 179.7° |
| C27 | C21 | N20 | C18 | 52.9° | 146.2° |
| C27 | C21 | N20 | H12 | 127.1° | 33.7° |
| C27 | C21 | C22 | H13 | 179.5° | 179.7° |
| C21 | C27 | C26 | H15 | 179.6° | 179.7° |
| N32 | C02 | C01 | C03 | 180.0° | 179.7° |
| N32 | C02 | C03 | C04 | 0.3° | 0.3° |
| N32 | C02 | C01 | H2 | 0.0° | 90.3° |
| N32 | C02 | C01 | H3 | 120.0° | 29.7° |
| N32 | C02 | C01 | H4 | 120.0° | 149.7° |
| N32 | C02 | C03 | H5 | 179.7° | 179.8° |
| C02 | N32 | C31 | H19 | 179.9° | 180.0° |
| C23 | C22 | C21 | H13 | 180.0° | 179.9° |
| C23 | C22 | C21 | N20 | 179.4° | 179.9° |
| C30 | C04 | C03 | C02 | 0.7° | 0.0° |
| C30 | C04 | C03 | N05 | 178.8° | 180.0° |
| C30 | C04 | N05 | C06 | 44.7° | 148.0° |
| C30 | C04 | C03 | H5 | 179.3° | 180.0° |
| C30 | C04 | N05 | H6 | 135.3° | 32.1° |
| C04 | C30 | C31 | H19 | 179.5° | 179.7° |
| C01 | C02 | C03 | C04 | 179.7° | 180.0° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | C02 | C03 | H5 | 0.3° | 0.1° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C02 | C03 | C04 | N05 | 179.5° | 180.0° |
| C03 | C02 | C01 | H2 | 180.0° | 90.0° |
| C03 | C02 | C01 | H3 | 60.0° | 150.0° |
| C03 | C02 | C01 | H4 | 60.0° | 30.0° |
| C22 | C21 | N20 | C18 | 128.2° | 34.1° |
| C22 | C21 | N20 | H12 | 51.7° | 146.0° |
| C21 | C22 | C23 | H14 | 180.0° | 180.0° |
| C22 | C21 | C27 | H16 | 179.3° | 179.9° |
| C21 | N20 | C18 | H12 | 180.0° | 179.9° |
| C21 | N20 | C18 | N17 | 0.4° | 174.8° |
| C21 | N20 | C18 | O19 | 179.8° | 5.2° |
| N20 | C21 | C22 | H13 | 0.6° | 0.0° |
| N20 | C21 | C27 | H16 | 0.5° | 0.3° |
| C03 | C04 | N05 | C06 | 136.5° | 32.0° |
| C03 | C04 | N05 | H6 | 43.5° | 148.0° |
| C03 | C04 | C30 | H18 | 179.2° | 180.0° |
| C04 | N05 | C06 | H6 | 180.0° | 179.9° |
| C04 | N05 | C06 | O07 | 0.1° | 5.1° |
| C04 | N05 | C06 | C08 | 180.0° | 174.9° |
| N05 | C04 | C03 | H5 | 0.5° | 0.1° |
| N05 | C04 | C30 | H18 | 0.4° | 0.0° |
| N20 | C18 | N17 | O19 | 179.8° | 180.0° |
| N20 | C18 | N17 | C16 | 180.0° | 180.0° |
| N20 | C18 | N17 | H11 | 0.0° | 0.1° |
| N05 | C06 | O07 | C08 | 180.0° | 180.0° |
| N05 | C06 | C08 | C13 | 27.3° | 180.0° |
| N05 | C06 | C08 | C09 | 152.8° | 0.0° |
| C18 | N17 | C16 | H11 | 180.0° | 179.9° |
| C18 | N17 | C16 | C28 | 144.9° | 0.0° |
| C18 | N17 | C16 | C15 | 35.7° | 179.7° |
| N17 | C18 | N20 | H12 | 179.6° | 5.3° |
| C16 | N17 | C18 | O19 | 0.2° | 0.0° |
| N17 | C16 | C28 | C15 | 179.6° | 179.7° |
| N17 | C16 | C28 | N29 | 179.8° | 180.0° |
| N17 | C16 | C15 | N14 | 179.9° | 179.7° |
| N17 | C16 | C15 | H10 | 0.1° | 0.3° |
| N17 | C16 | C28 | H17 | 0.2° | 0.3° |
| O19 | C18 | N17 | H11 | 179.8° | 180.0° |
| O19 | C18 | N20 | H12 | 0.2° | 174.8° |
| C16 | C28 | N29 | H17 | 180.0° | 179.7° |
| C28 | C16 | C15 | N14 | 0.3° | 0.0° |
| C16 | C28 | N29 | N14 | 0.0° | 0.4° |
| C28 | C16 | C15 | H10 | 179.7° | 179.9° |
| C28 | C16 | N17 | H11 | 35.2° | 179.9° |
| C15 | C16 | C28 | N29 | 0.2° | 0.3° |
| C16 | C15 | N14 | H10 | 180.0° | 180.0° |
| C16 | C15 | N14 | N29 | 0.3° | 0.2° |
| C16 | C15 | N14 | C12 | 179.9° | 180.0° |
| C15 | C16 | N17 | H11 | 144.3° | 0.4° |
| C15 | C16 | C28 | H17 | 179.8° | 180.0° |
| C28 | N29 | N14 | C15 | 0.2° | 0.4° |
| C28 | N29 | N14 | C12 | 179.9° | 179.8° |
| O07 | C06 | C08 | C13 | 152.7° | 0.0° |
| O07 | C06 | C08 | C09 | 27.2° | 180.0° |
| O07 | C06 | N05 | H6 | 180.0° | 175.0° |
| C06 | C08 | C13 | C09 | 179.9° | 180.0° |
| C06 | C08 | C13 | C12 | 180.0° | 179.7° |
| C06 | C08 | C09 | C10 | 180.0° | 180.0° |
| C08 | C06 | N05 | H6 | 0.0° | 5.0° |
| C06 | C08 | C09 | H7 | 0.0° | 0.0° |
| C06 | C08 | C13 | H9 | 0.0° | 0.0° |
| C15 | N14 | C12 | C13 | 116.9° | 175.0° |
| C15 | N14 | N29 | C12 | 179.7° | 179.7° |
| C15 | N14 | C12 | C11 | 63.5° | 5.0° |
| C08 | C13 | C12 | H9 | 180.0° | 179.8° |
| C08 | C13 | C12 | N14 | 179.7° | 179.7° |
| C08 | C13 | C12 | C11 | 0.1° | 0.2° |
| C13 | C08 | C09 | C10 | 0.1° | 0.0° |
| C13 | C08 | C09 | H7 | 179.9° | 180.0° |
| C13 | C12 | N14 | N29 | 62.7° | 4.7° |
| C13 | C12 | N14 | C11 | 179.6° | 180.0° |
| C12 | C13 | C08 | C09 | 0.1° | 0.3° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C13 | C12 | C11 | H8 | 179.7° | 180.0° |
| N29 | N14 | C12 | C11 | 116.9° | 175.3° |
| N29 | N14 | C15 | H10 | 179.7° | 179.8° |
| N14 | N29 | C28 | H17 | 180.0° | 179.8° |
| N14 | C12 | C11 | C10 | 179.9° | 180.0° |
| N14 | C12 | C11 | H8 | 0.1° | 0.0° |
| N14 | C12 | C13 | H9 | 0.3° | 0.0° |
| C12 | N14 | C15 | H10 | 0.0° | 0.1° |
| C08 | C09 | C10 | H7 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.1° | 0.3° |
| C08 | C09 | C10 | H1 | 179.9° | 180.0° |
| C09 | C08 | C13 | H9 | 179.9° | 180.0° |
| C12 | C11 | C10 | C09 | 0.3° | 0.3° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 179.7° | 180.0° |
| C11 | C12 | C13 | H9 | 179.9° | 180.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | H8 | 179.7° | 179.7° |
| C11 | C10 | C09 | H7 | 179.9° | 179.7° |
| H1 | C10 | C09 | H7 | 0.1° | 0.0° |
| H1 | C10 | C11 | H8 | 0.3° | 0.0° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H13 | C22 | C23 | H14 | 0.0° | 0.1° |
| H15 | C26 | C27 | H16 | 0.4° | 0.3° |
| H18 | C30 | C31 | H19 | 0.5° | 0.3° |
