FFH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| N9 | C11 | sing | 1.40Å | 1.42Å | |
| N9 | C9 | sing | 1.35Å | 1.42Å | |
| C11 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| N4 | C9 | sing | 1.35Å | 1.41Å | |
| N4 | C4 | sing | 1.40Å | 1.43Å | |
| C9 | O9 | doub | 1.22Å | 1.27Å | |
| C14 | O14 | sing | 1.36Å | 1.39Å | |
| C14 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.41Å | Aromatic |
| C | S8 | sing | 1.76Å | 1.70Å | |
| N10 | S8 | sing | 1.66Å | 1.55Å | |
| O6 | S8 | doub | 1.42Å | 1.46Å | |
| S8 | O7 | doub | 1.42Å | 1.43Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| N10 | H8 | sing | 0.97Å | 1.00Å | |
| N10 | H9 | sing | 0.97Å | 1.00Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| N9 | H11 | sing | 0.97Å | 1.00Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| O14 | C6 | sing | 1.43Å | 30.08Å | |
| C6 | C7 | sing | 1.53Å | 0.00Å | |
| C7 | C8 | sing | 1.53Å | 0.00Å | |
| C8 | C10 | sing | 1.53Å | 0.00Å | |
| C10 | N1 | sing | 1.47Å | 0.00Å | |
| N1 | C17 | sing | 1.35Å | 0.00Å | |
| C17 | O1 | doub | 1.21Å | 0.00Å | |
| C6 | H13 | sing | 1.09Å | 0.00Å | |
| C6 | H14 | sing | 1.09Å | 0.00Å | |
| C7 | H15 | sing | 1.09Å | 0.00Å | |
| C7 | H16 | sing | 1.09Å | 0.00Å | |
| C8 | H17 | sing | 1.09Å | 0.00Å | |
| C8 | H18 | sing | 1.09Å | 0.00Å | |
| C10 | H19 | sing | 1.09Å | 0.00Å | |
| C10 | H20 | sing | 1.09Å | 0.00Å | |
| N1 | H21 | sing | 0.97Å | 0.00Å | |
| C17 | C18 | sing | 1.51Å | 0.00Å | |
| C18 | C19 | sing | 1.53Å | 0.00Å | |
| C19 | O2 | sing | 1.43Å | 0.00Å | |
| O2 | C21 | sing | 1.43Å | 0.00Å | |
| C21 | C22 | sing | 1.53Å | 0.00Å | |
| C22 | O3 | sing | 1.43Å | 0.00Å | |
| O3 | C24 | sing | 1.43Å | 0.00Å | |
| C24 | C25 | sing | 1.53Å | 0.00Å | |
| C25 | O4 | sing | 1.43Å | 0.00Å | |
| O4 | C27 | sing | 1.43Å | 0.00Å | |
| C27 | C28 | sing | 1.53Å | 0.00Å | |
| C28 | O5 | sing | 1.43Å | 0.00Å | |
| O5 | C30 | sing | 1.43Å | 0.00Å | |
| C30 | C31 | sing | 1.53Å | 0.00Å | |
| C31 | O8 | sing | 1.43Å | 0.00Å | |
| O8 | C33 | sing | 1.43Å | 0.00Å | |
| C33 | N2 | sing | 1.47Å | 0.00Å | |
| C18 | H22 | sing | 1.09Å | 0.00Å | |
| C18 | H23 | sing | 1.09Å | 0.00Å | |
| C19 | H24 | sing | 1.09Å | 0.00Å | |
| C19 | H25 | sing | 1.09Å | 0.00Å | |
| C21 | H26 | sing | 1.09Å | 0.00Å | |
| C21 | H27 | sing | 1.09Å | 0.00Å | |
| C22 | H28 | sing | 1.09Å | 0.00Å | |
| C22 | H29 | sing | 1.09Å | 0.00Å | |
| C24 | H30 | sing | 1.09Å | 0.00Å | |
| C24 | H31 | sing | 1.09Å | 0.00Å | |
| C25 | H32 | sing | 1.09Å | 0.00Å | |
| C25 | H33 | sing | 1.09Å | 0.00Å | |
| C27 | H34 | sing | 1.09Å | 0.00Å | |
| C27 | H35 | sing | 1.09Å | 0.00Å | |
| C28 | H36 | sing | 1.09Å | 0.00Å | |
| C28 | H37 | sing | 1.09Å | 0.00Å | |
| C30 | H38 | sing | 1.09Å | 0.00Å | |
| C30 | H39 | sing | 1.09Å | 0.00Å | |
| C31 | H40 | sing | 1.09Å | 0.00Å | |
| C31 | H41 | sing | 1.09Å | 0.00Å | |
| C33 | H42 | sing | 1.09Å | 0.00Å | |
| C33 | H43 | sing | 1.09Å | 0.00Å | |
| N2 | H44 | sing | 1.01Å | 0.00Å | |
| N2 | H45 | sing | 1.01Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C11 | 123.6° | 120.0° |
| C16 | C15 | C14 | 119.1° | 120.0° |
| C15 | C16 | H5 | 118.2° | 120.0° |
| C16 | C15 | H12 | 120.5° | 119.9° |
| C16 | C11 | N9 | 111.5° | 120.0° |
| C16 | C11 | C12 | 117.4° | 119.9° |
| C11 | C16 | H5 | 118.2° | 120.0° |
| C15 | C14 | O14 | 124.2° | 120.0° |
| C15 | C14 | C13 | 119.0° | 120.0° |
| C14 | C15 | H12 | 120.4° | 120.0° |
| C11 | N9 | C9 | 140.6° | 120.0° |
| N9 | C11 | C12 | 131.1° | 120.0° |
| C11 | N9 | H11 | 109.7° | 120.0° |
| N9 | C9 | N4 | 104.4° | 120.0° |
| N9 | C9 | O9 | 130.4° | 120.0° |
| C9 | N9 | H11 | 109.7° | 120.0° |
| C11 | C12 | C13 | 119.2° | 120.0° |
| C11 | C12 | H3 | 120.4° | 119.9° |
| C9 | N4 | C4 | 139.0° | 120.0° |
| N4 | C9 | O9 | 124.7° | 120.0° |
| C9 | N4 | H6 | 110.5° | 119.9° |
| N4 | C4 | C3 | 117.1° | 120.0° |
| N4 | C4 | C5 | 127.5° | 120.1° |
| C4 | N4 | H6 | 110.5° | 120.1° |
| O14 | C14 | C13 | 116.9° | 120.0° |
| C14 | O14 | C6 | 21.5° | 117.0° |
| C14 | C13 | C12 | 121.7° | 120.0° |
| C14 | C13 | H4 | 119.1° | 120.0° |
| C13 | C12 | H3 | 120.4° | 120.1° |
| C12 | C13 | H4 | 119.1° | 120.0° |
| C3 | C4 | C5 | 115.4° | 119.9° |
| C4 | C3 | C2 | 123.3° | 119.9° |
| C4 | C3 | H7 | 118.4° | 120.0° |
| C4 | C5 | C1 | 121.6° | 119.9° |
| C4 | C5 | H10 | 119.2° | 120.0° |
| C3 | C2 | C | 121.1° | 120.1° |
| C3 | C2 | H2 | 119.5° | 120.0° |
| C2 | C3 | H7 | 118.3° | 120.0° |
| C5 | C1 | C | 122.5° | 120.1° |
| C5 | C1 | H1 | 118.8° | 120.0° |
| C1 | C5 | H10 | 119.2° | 120.1° |
| C2 | C | C1 | 116.2° | 120.1° |
| C2 | C | S8 | 120.1° | 119.9° |
| C | C2 | H2 | 119.5° | 119.9° |
| C1 | C | S8 | 123.7° | 120.0° |
| C | C1 | H1 | 118.8° | 119.9° |
| C | S8 | N10 | 108.9° | 107.2° |
| C | S8 | O6 | 104.6° | 106.4° |
| C | S8 | O7 | 106.2° | 106.4° |
| N10 | S8 | O6 | 109.7° | 106.4° |
| N10 | S8 | O7 | 110.6° | 106.4° |
| S8 | N10 | H8 | 109.5° | 120.0° |
| S8 | N10 | H9 | 109.5° | 120.0° |
| O6 | S8 | O7 | 116.4° | 123.2° |
| H8 | N10 | H9 | 109.5° | 120.0° |
| O14 | C6 | C7 | 90.0° | 109.5° |
| O14 | C6 | H13 | 90.0° | 109.4° |
| O14 | C6 | H14 | 90.0° | 109.5° |
| C6 | C7 | C8 | 90.0° | 109.5° |
| C7 | C6 | H13 | 90.0° | 109.4° |
| C7 | C6 | H14 | 90.0° | 109.5° |
| C6 | C7 | H15 | 90.0° | 109.4° |
| C6 | C7 | H16 | 90.0° | 109.5° |
| C7 | C8 | C10 | 90.0° | 109.5° |
| C8 | C7 | H15 | 90.0° | 109.5° |
| C8 | C7 | H16 | 90.0° | 109.5° |
| C7 | C8 | H17 | 90.0° | 109.5° |
| C7 | C8 | H18 | 90.0° | 109.5° |
| C8 | C10 | N1 | 90.0° | 109.5° |
| C10 | C8 | H17 | 90.0° | 109.4° |
| C10 | C8 | H18 | 90.0° | 109.5° |
| C8 | C10 | H19 | 90.0° | 109.5° |
| C8 | C10 | H20 | 90.0° | 109.5° |
| C10 | N1 | C17 | 90.0° | 120.0° |
| N1 | C10 | H19 | 90.0° | 109.4° |
| N1 | C10 | H20 | 90.0° | 109.5° |
| C10 | N1 | H21 | 90.0° | 119.9° |
| N1 | C17 | O1 | 90.0° | 120.0° |
| C17 | N1 | H21 | 90.0° | 120.0° |
| N1 | C17 | C18 | 90.0° | 120.0° |
| O1 | C17 | C18 | 90.0° | 120.0° |
| H13 | C6 | H14 | 90.0° | 109.5° |
| H15 | C7 | H16 | 90.0° | 109.4° |
| H17 | C8 | H18 | 90.0° | 109.4° |
| H19 | C10 | H20 | 90.0° | 109.4° |
| C17 | C18 | C19 | 90.0° | 109.5° |
| C17 | C18 | H22 | 90.0° | 109.4° |
| C17 | C18 | H23 | 90.0° | 109.5° |
| C18 | C19 | O2 | 90.0° | 109.5° |
| C19 | C18 | H22 | 90.0° | 109.5° |
| C19 | C18 | H23 | 90.0° | 109.5° |
| C18 | C19 | H24 | 90.0° | 109.5° |
| C18 | C19 | H25 | 90.0° | 109.5° |
| C19 | O2 | C21 | 90.0° | 114.0° |
| O2 | C19 | H24 | 90.0° | 109.5° |
| O2 | C19 | H25 | 90.0° | 109.4° |
| O2 | C21 | C22 | 90.0° | 109.5° |
| O2 | C21 | H26 | 90.0° | 109.5° |
| O2 | C21 | H27 | 90.0° | 109.5° |
| C21 | C22 | O3 | 90.0° | 109.5° |
| C22 | C21 | H26 | 90.0° | 109.5° |
| C22 | C21 | H27 | 90.0° | 109.5° |
| C21 | C22 | H28 | 90.0° | 109.5° |
| C21 | C22 | H29 | 90.0° | 109.5° |
| C22 | O3 | C24 | 90.0° | 114.0° |
| O3 | C22 | H28 | 90.0° | 109.5° |
| O3 | C22 | H29 | 90.0° | 109.5° |
| O3 | C24 | C25 | 90.0° | 109.5° |
| O3 | C24 | H30 | 90.0° | 109.5° |
| O3 | C24 | H31 | 90.0° | 109.5° |
| C24 | C25 | O4 | 90.0° | 109.5° |
| C25 | C24 | H30 | 90.0° | 109.4° |
| C25 | C24 | H31 | 90.0° | 109.5° |
| C24 | C25 | H32 | 90.0° | 109.4° |
| C24 | C25 | H33 | 90.0° | 109.4° |
| C25 | O4 | C27 | 90.0° | 114.0° |
| O4 | C25 | H32 | 90.0° | 109.5° |
| O4 | C25 | H33 | 90.0° | 109.5° |
| O4 | C27 | C28 | 90.0° | 109.4° |
| O4 | C27 | H34 | 90.0° | 109.5° |
| O4 | C27 | H35 | 90.0° | 109.5° |
| C27 | C28 | O5 | 90.0° | 109.5° |
| C28 | C27 | H34 | 90.0° | 109.5° |
| C28 | C27 | H35 | 90.0° | 109.5° |
| C27 | C28 | H36 | 90.0° | 109.4° |
| C27 | C28 | H37 | 90.0° | 109.5° |
| C28 | O5 | C30 | 90.0° | 114.0° |
| O5 | C28 | H36 | 90.0° | 109.5° |
| O5 | C28 | H37 | 90.0° | 109.5° |
| O5 | C30 | C31 | 90.0° | 109.5° |
| O5 | C30 | H38 | 90.0° | 109.5° |
| O5 | C30 | H39 | 90.0° | 109.5° |
| C30 | C31 | O8 | 90.0° | 109.5° |
| C31 | C30 | H38 | 90.0° | 109.4° |
| C31 | C30 | H39 | 90.0° | 109.5° |
| C30 | C31 | H40 | 90.0° | 109.5° |
| C30 | C31 | H41 | 90.0° | 109.4° |
| C31 | O8 | C33 | 90.0° | 114.0° |
| O8 | C31 | H40 | 90.0° | 109.5° |
| O8 | C31 | H41 | 90.0° | 109.5° |
| O8 | C33 | N2 | 90.0° | 109.5° |
| O8 | C33 | H42 | 90.0° | 109.5° |
| O8 | C33 | H43 | 90.0° | 109.5° |
| N2 | C33 | H42 | 90.0° | 109.5° |
| N2 | C33 | H43 | 90.0° | 109.4° |
| C33 | N2 | H44 | 90.0° | 111.0° |
| C33 | N2 | H45 | 90.0° | 111.0° |
| H22 | C18 | H23 | 90.0° | 109.4° |
| H24 | C19 | H25 | 90.0° | 109.5° |
| H26 | C21 | H27 | 90.0° | 109.4° |
| H28 | C22 | H29 | 90.0° | 109.5° |
| H30 | C24 | H31 | 90.0° | 109.5° |
| H32 | C25 | H33 | 90.0° | 109.5° |
| H34 | C27 | H35 | 90.0° | 109.5° |
| H36 | C28 | H37 | 90.0° | 109.5° |
| H38 | C30 | H39 | 90.0° | 109.5° |
| H40 | C31 | H41 | 90.0° | 109.5° |
| H42 | C33 | H43 | 90.0° | 109.4° |
| H44 | N2 | H45 | 90.0° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C11 | H5 | 180.0° | 180.0° |
| C16 | C15 | C14 | H12 | 180.0° | 180.0° |
| C15 | C16 | C11 | N9 | 179.4° | 179.7° |
| C15 | C16 | C11 | C12 | 1.2° | 0.1° |
| C16 | C15 | C14 | O14 | 179.6° | 180.0° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C11 | C16 | C15 | C14 | 0.6° | 0.0° |
| C16 | C11 | N9 | C12 | 179.3° | 179.7° |
| C16 | C11 | N9 | C9 | 159.2° | 35.4° |
| C16 | C11 | C12 | C13 | 1.4° | 0.1° |
| C16 | C11 | C12 | H3 | 178.7° | 179.9° |
| C16 | C11 | N9 | H11 | 20.9° | 144.6° |
| C11 | C16 | C15 | H12 | 179.4° | 180.0° |
| C15 | C14 | O14 | C13 | 179.4° | 180.0° |
| C15 | C14 | C13 | C12 | 0.4° | 0.0° |
| C15 | C14 | C13 | H4 | 179.6° | 180.0° |
| C14 | C15 | C16 | H5 | 179.4° | 180.0° |
| C15 | C14 | O14 | C6 | 63.5° | 0.0° |
| C11 | N9 | C9 | H11 | 180.0° | 180.0° |
| C11 | N9 | C9 | N4 | 130.3° | 175.4° |
| C11 | N9 | C9 | O9 | 42.1° | 4.6° |
| N9 | C11 | C12 | C13 | 179.3° | 179.8° |
| N9 | C11 | C12 | H3 | 0.6° | 0.4° |
| N9 | C11 | C16 | H5 | 0.6° | 0.3° |
| C9 | N9 | C11 | C12 | 20.1° | 145.0° |
| N9 | C9 | N4 | O9 | 173.0° | 180.0° |
| N9 | C9 | N4 | C4 | 154.2° | 175.4° |
| N9 | C9 | N4 | H6 | 25.8° | 4.7° |
| C11 | C12 | C13 | C14 | 1.0° | 0.0° |
| C11 | C12 | C13 | H3 | 180.0° | 179.9° |
| C11 | C12 | C13 | H4 | 179.0° | 180.0° |
| C12 | C11 | C16 | H5 | 178.8° | 180.0° |
| C12 | C11 | N9 | H11 | 159.8° | 35.1° |
| C9 | N4 | C4 | H6 | 180.0° | 179.9° |
| C9 | N4 | C4 | C3 | 140.6° | 145.0° |
| C9 | N4 | C4 | C5 | 40.1° | 35.8° |
| N4 | C9 | N9 | H11 | 49.8° | 4.6° |
| C4 | N4 | C9 | O9 | 18.7° | 4.6° |
| N4 | C4 | C3 | C5 | 179.4° | 179.2° |
| N4 | C4 | C3 | C2 | 179.3° | 180.0° |
| N4 | C4 | C5 | C1 | 179.0° | 179.7° |
| N4 | C4 | C3 | H7 | 0.7° | 0.7° |
| N4 | C4 | C5 | H10 | 1.0° | 0.3° |
| O9 | C9 | N4 | H6 | 161.2° | 175.3° |
| O9 | C9 | N9 | H11 | 137.8° | 175.3° |
| O14 | C14 | C13 | C12 | 179.9° | 180.0° |
| O14 | C14 | C13 | H4 | 0.1° | 0.0° |
| O14 | C14 | C15 | H12 | 0.4° | 0.0° |
| C14 | O14 | C6 | C7 | 90.0° | 180.0° |
| C14 | O14 | C6 | H13 | 90.0° | 60.1° |
| C14 | O14 | C6 | H14 | 90.0° | 59.9° |
| C14 | C13 | C12 | H4 | 180.0° | 180.0° |
| C14 | C13 | C12 | H3 | 179.0° | 179.9° |
| C13 | C14 | C15 | H12 | 179.8° | 179.9° |
| C13 | C14 | O14 | C6 | 115.9° | 180.0° |
| C4 | C3 | C2 | H7 | 180.0° | 179.3° |
| C3 | C4 | C5 | C1 | 0.3° | 0.5° |
| C4 | C3 | C2 | C | 2.3° | 0.5° |
| C4 | C3 | C2 | H2 | 177.7° | 179.4° |
| C3 | C4 | N4 | H6 | 39.4° | 35.1° |
| C3 | C4 | C5 | H10 | 179.7° | 179.5° |
| C5 | C4 | C3 | C2 | 1.3° | 0.7° |
| C4 | C5 | C1 | H10 | 180.0° | 180.0° |
| C4 | C5 | C1 | C | 0.9° | 0.1° |
| C4 | C5 | C1 | H1 | 179.1° | 179.7° |
| C5 | C4 | N4 | H6 | 139.9° | 144.2° |
| C5 | C4 | C3 | H7 | 178.7° | 180.0° |
| C3 | C2 | C | H2 | 180.0° | 179.9° |
| C3 | C2 | C | C1 | 1.6° | 0.1° |
| C3 | C2 | C | S8 | 179.3° | 180.0° |
| C5 | C1 | C | C2 | 0.0° | 0.3° |
| C5 | C1 | C | H1 | 180.0° | 179.6° |
| C5 | C1 | C | S8 | 179.1° | 179.8° |
| C2 | C | C1 | S8 | 179.1° | 179.9° |
| C2 | C | S8 | N10 | 45.0° | 90.1° |
| C2 | C | S8 | O6 | 162.3° | 23.5° |
| C2 | C | S8 | O7 | 74.1° | 156.4° |
| C2 | C | C1 | H1 | 180.0° | 180.0° |
| C | C2 | C3 | H7 | 177.7° | 179.8° |
| C1 | C | S8 | N10 | 135.9° | 90.0° |
| C1 | C | S8 | O6 | 18.6° | 156.4° |
| C1 | C | S8 | O7 | 105.0° | 23.5° |
| C1 | C | C2 | H2 | 178.4° | 180.0° |
| C | C1 | C5 | H10 | 179.1° | 179.9° |
| C | S8 | N10 | O6 | 114.0° | 113.5° |
| C | S8 | N10 | O7 | 116.3° | 113.5° |
| C | S8 | O6 | O7 | 116.8° | 123.0° |
| S8 | C | C1 | H1 | 0.9° | 0.1° |
| S8 | C | C2 | H2 | 0.7° | 0.1° |
| C | S8 | N10 | H8 | 180.0° | 150.0° |
| C | S8 | N10 | H9 | 60.0° | 30.0° |
| N10 | S8 | O6 | O7 | 126.5° | 123.0° |
| S8 | N10 | H8 | H9 | 120.0° | 180.0° |
| O6 | S8 | N10 | H8 | 66.0° | 36.5° |
| O6 | S8 | N10 | H9 | 54.0° | 143.6° |
| O7 | S8 | N10 | H8 | 63.7° | 96.5° |
| O7 | S8 | N10 | H9 | 176.3° | 83.5° |
| H1 | C1 | C5 | H10 | 1.0° | 0.3° |
| H2 | C2 | C3 | H7 | 2.3° | 0.2° |
| H3 | C12 | C13 | H4 | 1.0° | 0.1° |
| H5 | C16 | C15 | H12 | 0.6° | 0.1° |
| O14 | C6 | C7 | H13 | 90.0° | 119.9° |
| O14 | C6 | C7 | H14 | 90.0° | 120.1° |
| O14 | C6 | C7 | C8 | 90.0° | 180.0° |
| O14 | C6 | H13 | H14 | 90.0° | 120.0° |
| O14 | C6 | C7 | H15 | 90.0° | 60.0° |
| O14 | C6 | C7 | H16 | 90.0° | 59.9° |
| C6 | C7 | C8 | H15 | 90.0° | 120.0° |
| C6 | C7 | C8 | H16 | 90.0° | 120.1° |
| C6 | C7 | C8 | C10 | 90.0° | 180.0° |
| C7 | C6 | H13 | H14 | 90.0° | 120.0° |
| C6 | C7 | H15 | H16 | 90.0° | 120.0° |
| C6 | C7 | C8 | H17 | 90.0° | 60.0° |
| C6 | C7 | C8 | H18 | 90.0° | 59.9° |
| C7 | C8 | C10 | H17 | 90.0° | 120.0° |
| C7 | C8 | C10 | H18 | 90.0° | 120.0° |
| C7 | C8 | C10 | N1 | 90.0° | 180.0° |
| C8 | C7 | C6 | H13 | 90.0° | 60.1° |
| C8 | C7 | C6 | H14 | 90.0° | 60.0° |
| C8 | C7 | H15 | H16 | 90.0° | 120.0° |
| C7 | C8 | H17 | H18 | 90.0° | 120.0° |
| C7 | C8 | C10 | H19 | 90.0° | 60.0° |
| C7 | C8 | C10 | H20 | 90.0° | 60.0° |
| C8 | C10 | N1 | H19 | 90.0° | 120.0° |
| C8 | C10 | N1 | H20 | 90.0° | 120.0° |
| C8 | C10 | N1 | C17 | 90.0° | 180.0° |
| C10 | C8 | C7 | H15 | 90.0° | 60.0° |
| C10 | C8 | C7 | H16 | 90.0° | 60.0° |
| C10 | C8 | H17 | H18 | 90.0° | 120.0° |
| C8 | C10 | H19 | H20 | 90.0° | 120.0° |
| C8 | C10 | N1 | H21 | 90.0° | 0.0° |
| C10 | N1 | C17 | H21 | 90.0° | 180.0° |
| C10 | N1 | C17 | O1 | 90.0° | 0.0° |
| N1 | C10 | C8 | H17 | 90.0° | 60.0° |
| N1 | C10 | C8 | H18 | 90.0° | 60.0° |
| N1 | C10 | H19 | H20 | 90.0° | 119.9° |
| C10 | N1 | C17 | C18 | 90.0° | 180.0° |
| N1 | C17 | O1 | C18 | 90.0° | 180.0° |
| C17 | N1 | C10 | H19 | 90.0° | 59.9° |
| C17 | N1 | C10 | H20 | 90.0° | 60.0° |
| N1 | C17 | C18 | C19 | 90.0° | 180.0° |
| N1 | C17 | C18 | H22 | 90.0° | 60.0° |
| N1 | C17 | C18 | H23 | 90.0° | 60.0° |
| O1 | C17 | N1 | H21 | 90.0° | 180.0° |
| O1 | C17 | C18 | C19 | 90.0° | 0.0° |
| O1 | C17 | C18 | H22 | 90.0° | 120.0° |
| O1 | C17 | C18 | H23 | 90.0° | 120.0° |
| H13 | C6 | C7 | H15 | 90.0° | 179.9° |
| H13 | C6 | C7 | H16 | 90.0° | 60.0° |
| H14 | C6 | C7 | H15 | 90.0° | 60.0° |
| H14 | C6 | C7 | H16 | 90.0° | 180.0° |
| H15 | C7 | C8 | H17 | 90.0° | 180.0° |
| H15 | C7 | C8 | H18 | 90.0° | 60.0° |
| H16 | C7 | C8 | H17 | 90.0° | 60.0° |
| H16 | C7 | C8 | H18 | 90.0° | NaN° |
| H17 | C8 | C10 | H19 | 90.0° | 180.0° |
| H17 | C8 | C10 | H20 | 90.0° | 60.1° |
| H18 | C8 | C10 | H19 | 90.0° | 60.0° |
| H18 | C8 | C10 | H20 | 90.0° | 180.0° |
| H19 | C10 | N1 | H21 | 90.0° | 120.0° |
| H20 | C10 | N1 | H21 | 90.0° | 120.1° |
| H21 | N1 | C17 | C18 | 90.0° | 0.0° |
| C17 | C18 | C19 | H22 | 90.0° | 120.0° |
| C17 | C18 | C19 | H23 | 90.0° | 120.1° |
| C17 | C18 | C19 | O2 | 90.0° | 180.0° |
| C17 | C18 | H22 | H23 | 90.0° | 120.0° |
| C17 | C18 | C19 | H24 | 90.0° | 60.0° |
| C17 | C18 | C19 | H25 | 90.0° | 60.0° |
| C18 | C19 | O2 | H24 | 90.0° | 120.0° |
| C18 | C19 | O2 | H25 | 90.0° | 120.0° |
| C18 | C19 | O2 | C21 | 90.0° | 180.0° |
| C19 | C18 | H22 | H23 | 90.0° | 120.0° |
| C18 | C19 | H24 | H25 | 90.0° | 120.0° |
| C19 | O2 | C21 | C22 | 90.0° | 180.0° |
| O2 | C19 | C18 | H22 | 90.0° | 60.0° |
| O2 | C19 | C18 | H23 | 90.0° | 60.0° |
| O2 | C19 | H24 | H25 | 90.0° | 120.0° |
| C19 | O2 | C21 | H26 | 90.0° | 60.0° |
| C19 | O2 | C21 | H27 | 90.0° | 60.0° |
| O2 | C21 | C22 | H26 | 90.0° | 120.0° |
| O2 | C21 | C22 | H27 | 90.0° | 120.0° |
| O2 | C21 | C22 | O3 | 90.0° | 65.0° |
| C21 | O2 | C19 | H24 | 90.0° | 60.0° |
| C21 | O2 | C19 | H25 | 90.0° | 60.0° |
| O2 | C21 | H26 | H27 | 90.0° | 120.0° |
| O2 | C21 | C22 | H28 | 90.0° | 175.0° |
| O2 | C21 | C22 | H29 | 90.0° | 55.0° |
| C21 | C22 | O3 | H28 | 90.0° | 120.0° |
| C21 | C22 | O3 | H29 | 90.0° | 120.0° |
| C21 | C22 | O3 | C24 | 90.0° | 180.0° |
| C22 | C21 | H26 | H27 | 90.0° | 120.0° |
| C21 | C22 | H28 | H29 | 90.0° | 120.0° |
| C22 | O3 | C24 | C25 | 90.0° | 180.0° |
| O3 | C22 | C21 | H26 | 90.0° | 55.0° |
| O3 | C22 | C21 | H27 | 90.0° | 175.0° |
| O3 | C22 | H28 | H29 | 90.0° | 120.0° |
| C22 | O3 | C24 | H30 | 90.0° | 60.0° |
| C22 | O3 | C24 | H31 | 90.0° | 60.0° |
| O3 | C24 | C25 | H30 | 90.0° | 120.0° |
| O3 | C24 | C25 | H31 | 90.0° | 120.0° |
| O3 | C24 | C25 | O4 | 90.0° | 64.9° |
| C24 | O3 | C22 | H28 | 90.0° | 60.0° |
| C24 | O3 | C22 | H29 | 90.0° | 60.0° |
| O3 | C24 | H30 | H31 | 90.0° | 120.0° |
| O3 | C24 | C25 | H32 | 90.0° | 175.0° |
| O3 | C24 | C25 | H33 | 90.0° | 55.1° |
| C24 | C25 | O4 | H32 | 90.0° | 120.0° |
| C24 | C25 | O4 | H33 | 90.0° | 120.0° |
| C24 | C25 | O4 | C27 | 90.0° | 180.0° |
| C25 | C24 | H30 | H31 | 90.0° | 120.0° |
| C24 | C25 | H32 | H33 | 90.0° | 119.9° |
| C25 | O4 | C27 | C28 | 90.0° | 180.0° |
| O4 | C25 | C24 | H30 | 90.0° | 55.0° |
| O4 | C25 | C24 | H31 | 90.0° | 175.0° |
| O4 | C25 | H32 | H33 | 90.0° | 120.1° |
| C25 | O4 | C27 | H34 | 90.0° | 60.0° |
| C25 | O4 | C27 | H35 | 90.0° | 60.0° |
| O4 | C27 | C28 | H34 | 90.0° | 120.0° |
| O4 | C27 | C28 | H35 | 90.0° | 120.0° |
| O4 | C27 | C28 | O5 | 90.0° | 65.0° |
| C27 | O4 | C25 | H32 | 90.0° | 60.0° |
| C27 | O4 | C25 | H33 | 90.0° | 60.0° |
| O4 | C27 | H34 | H35 | 90.0° | 120.0° |
| O4 | C27 | C28 | H36 | 90.0° | 175.0° |
| O4 | C27 | C28 | H37 | 90.0° | 55.0° |
| C27 | C28 | O5 | H36 | 90.0° | 120.0° |
| C27 | C28 | O5 | H37 | 90.0° | 120.0° |
| C27 | C28 | O5 | C30 | 90.0° | 180.0° |
| C28 | C27 | H34 | H35 | 90.0° | 120.0° |
| C27 | C28 | H36 | H37 | 90.0° | 120.0° |
| C28 | O5 | C30 | C31 | 90.0° | 180.0° |
| O5 | C28 | C27 | H34 | 90.0° | 55.0° |
| O5 | C28 | C27 | H35 | 90.0° | 175.0° |
| O5 | C28 | H36 | H37 | 90.0° | 120.0° |
| C28 | O5 | C30 | H38 | 90.0° | 60.0° |
| C28 | O5 | C30 | H39 | 90.0° | 60.0° |
| O5 | C30 | C31 | H38 | 90.0° | 120.0° |
| O5 | C30 | C31 | H39 | 90.0° | 120.0° |
| O5 | C30 | C31 | O8 | 90.0° | 65.0° |
| C30 | O5 | C28 | H36 | 90.0° | 60.0° |
| C30 | O5 | C28 | H37 | 90.0° | 60.0° |
| O5 | C30 | H38 | H39 | 90.0° | 120.0° |
| O5 | C30 | C31 | H40 | 90.0° | 175.0° |
| O5 | C30 | C31 | H41 | 90.0° | 55.0° |
| C30 | C31 | O8 | H40 | 90.0° | 120.0° |
| C30 | C31 | O8 | H41 | 90.0° | 120.0° |
| C30 | C31 | O8 | C33 | 90.0° | 180.0° |
| C31 | C30 | H38 | H39 | 90.0° | 120.0° |
| C30 | C31 | H40 | H41 | 90.0° | 120.0° |
| C31 | O8 | C33 | N2 | 90.0° | 80.0° |
| O8 | C31 | C30 | H38 | 90.0° | 55.0° |
| O8 | C31 | C30 | H39 | 90.0° | 175.0° |
| O8 | C31 | H40 | H41 | 90.0° | 120.0° |
| C31 | O8 | C33 | H42 | 90.0° | 160.0° |
| C31 | O8 | C33 | H43 | 90.0° | 40.0° |
| O8 | C33 | N2 | H42 | 90.0° | 120.0° |
| O8 | C33 | N2 | H43 | 90.0° | 120.0° |
| C33 | O8 | C31 | H40 | 90.0° | 60.0° |
| C33 | O8 | C31 | H41 | 90.0° | 60.0° |
| O8 | C33 | H42 | H43 | 90.0° | 120.0° |
| O8 | C33 | N2 | H44 | 90.0° | 56.1° |
| O8 | C33 | N2 | H45 | 90.0° | 180.0° |
| N2 | C33 | H42 | H43 | 90.0° | 120.0° |
| C33 | N2 | H44 | H45 | 90.0° | 124.0° |
| H22 | C18 | C19 | H24 | 90.0° | 180.0° |
| H22 | C18 | C19 | H25 | 90.0° | 60.0° |
| H23 | C18 | C19 | H24 | 90.0° | 60.0° |
| H23 | C18 | C19 | H25 | 90.0° | 179.9° |
| H26 | C21 | C22 | H28 | 90.0° | 65.0° |
| H26 | C21 | C22 | H29 | 90.0° | 175.0° |
| H27 | C21 | C22 | H28 | 90.0° | 55.0° |
| H27 | C21 | C22 | H29 | 90.0° | 65.1° |
| H30 | C24 | C25 | H32 | 90.0° | 65.0° |
| H30 | C24 | C25 | H33 | 90.0° | 175.0° |
| H31 | C24 | C25 | H32 | 90.0° | 55.0° |
| H31 | C24 | C25 | H33 | 90.0° | 65.0° |
| H34 | C27 | C28 | H36 | 90.0° | 65.0° |
| H34 | C27 | C28 | H37 | 90.0° | 175.0° |
| H35 | C27 | C28 | H36 | 90.0° | 55.0° |
| H35 | C27 | C28 | H37 | 90.0° | 65.0° |
| H38 | C30 | C31 | H40 | 90.0° | 65.0° |
| H38 | C30 | C31 | H41 | 90.0° | 175.0° |
| H39 | C30 | C31 | H40 | 90.0° | 55.0° |
| H39 | C30 | C31 | H41 | 90.0° | 65.0° |
| H42 | C33 | N2 | H44 | 90.0° | 64.0° |
| H42 | C33 | N2 | H45 | 90.0° | 60.0° |
| H43 | C33 | N2 | H44 | 90.0° | 176.1° |
| H43 | C33 | N2 | H45 | 90.0° | 60.0° |
