HFH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | N35 | sing | 1.47Å | 1.47Å | |
| N35 | C36 | sing | 1.47Å | 1.46Å | |
| N35 | C34 | sing | 1.47Å | 1.46Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | N32 | sing | 1.47Å | 1.45Å | |
| C34 | C33 | sing | 1.53Å | 1.51Å | |
| C33 | N32 | sing | 1.47Å | 1.45Å | |
| N32 | C30 | sing | 1.39Å | 1.36Å | |
| C30 | N31 | doub | 1.30Å | 1.36Å | Aromatic |
| C30 | S29 | sing | 1.76Å | 1.73Å | Aromatic |
| N31 | C27 | sing | 1.33Å | 1.36Å | Aromatic |
| S29 | C28 | sing | 1.76Å | 1.72Å | Aromatic |
| C27 | C28 | doub | 1.35Å | 1.37Å | Aromatic |
| C27 | C24 | sing | 1.48Å | 1.47Å | |
| C24 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.37Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.37Å | 1.40Å | Aromatic |
| C26 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.48Å | 1.50Å | |
| O20 | C16 | doub | 1.22Å | 1.23Å | |
| C16 | N15 | sing | 1.35Å | 1.34Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| N15 | C12 | sing | 1.47Å | 1.46Å | |
| F10 | C7 | sing | 1.40Å | 1.38Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.55Å | 1.51Å | |
| C8 | N6 | sing | 1.47Å | 1.46Å | |
| C7 | C1 | sing | 1.55Å | 1.50Å | |
| C11 | N6 | sing | 1.35Å | 1.33Å | |
| C11 | O13 | doub | 1.21Å | 1.23Å | |
| N6 | C2 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C1 | O5 | sing | 1.44Å | 1.43Å | |
| C2 | C3 | sing | 1.54Å | 1.50Å | |
| O5 | C4 | sing | 1.44Å | 1.44Å | |
| C4 | C3 | sing | 1.54Å | 1.51Å | |
| C3 | O9 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| O9 | H20 | sing | 0.97Å | 0.95Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| N15 | H25 | sing | 0.97Å | 1.00Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | N35 | C36 | 110.0° | 111.0° |
| C38 | N35 | C34 | 110.1° | 111.0° |
| N35 | C38 | H31 | 109.5° | 109.5° |
| N35 | C38 | H32 | 109.5° | 109.4° |
| N35 | C38 | H33 | 109.5° | 109.5° |
| C36 | N35 | C34 | 112.5° | 110.9° |
| N35 | C36 | C37 | 111.0° | 109.3° |
| N35 | C36 | H34 | 109.1° | 109.5° |
| N35 | C36 | H35 | 109.1° | 109.5° |
| N35 | C34 | C33 | 114.0° | 109.4° |
| N35 | C34 | H16 | 108.3° | 109.5° |
| N35 | C34 | H17 | 108.3° | 109.5° |
| C36 | C37 | N32 | 112.6° | 109.4° |
| C37 | C36 | H34 | 109.1° | 109.4° |
| C37 | C36 | H35 | 109.1° | 109.5° |
| C36 | C37 | H36 | 108.7° | 109.5° |
| C36 | C37 | H37 | 108.7° | 109.5° |
| C37 | N32 | C33 | 122.9° | 110.9° |
| C37 | N32 | C30 | 119.7° | 111.0° |
| N32 | C37 | H36 | 108.7° | 109.5° |
| N32 | C37 | H37 | 108.7° | 109.5° |
| C34 | C33 | N32 | 113.5° | 109.4° |
| C34 | C33 | H14 | 108.4° | 109.5° |
| C34 | C33 | H15 | 108.5° | 109.5° |
| C33 | C34 | H16 | 108.3° | 109.5° |
| C33 | C34 | H17 | 108.3° | 109.5° |
| C33 | N32 | C30 | 117.3° | 111.0° |
| N32 | C33 | H14 | 108.5° | 109.5° |
| N32 | C33 | H15 | 108.4° | 109.5° |
| N32 | C30 | N31 | 121.0° | 125.2° |
| N32 | C30 | S29 | 125.8° | 125.3° |
| N31 | C30 | S29 | 113.1° | 109.5° |
| C30 | N31 | C27 | 111.4° | 116.8° |
| C30 | S29 | C28 | 89.5° | 90.1° |
| N31 | C27 | C28 | 114.4° | 115.2° |
| N31 | C27 | C24 | 121.0° | 122.3° |
| S29 | C28 | C27 | 111.4° | 108.3° |
| S29 | C28 | H29 | 124.3° | 125.9° |
| C28 | C27 | C24 | 124.0° | 122.4° |
| C27 | C28 | H29 | 124.3° | 125.8° |
| C27 | C24 | C25 | 117.4° | 119.9° |
| C27 | C24 | C23 | 121.4° | 120.0° |
| C25 | C24 | C23 | 120.9° | 120.0° |
| C24 | C25 | C26 | 119.4° | 120.0° |
| C24 | C25 | H27 | 120.3° | 120.0° |
| C24 | C23 | C22 | 119.4° | 120.1° |
| C24 | C23 | H26 | 120.3° | 120.0° |
| C25 | C26 | C21 | 120.1° | 120.0° |
| C26 | C25 | H27 | 120.3° | 120.0° |
| C25 | C26 | H28 | 119.9° | 120.0° |
| C23 | C22 | C21 | 119.9° | 120.0° |
| C23 | C22 | H13 | 120.0° | 120.0° |
| C22 | C23 | H26 | 120.3° | 120.0° |
| C26 | C21 | C22 | 120.2° | 119.9° |
| C26 | C21 | C16 | 116.6° | 120.0° |
| C21 | C26 | H28 | 119.9° | 120.0° |
| C22 | C21 | C16 | 123.1° | 120.1° |
| C21 | C22 | H13 | 120.1° | 120.0° |
| C21 | C16 | O20 | 119.5° | 120.0° |
| C21 | C16 | N15 | 118.4° | 120.0° |
| O20 | C16 | N15 | 121.8° | 120.1° |
| C16 | N15 | C12 | 122.0° | 120.0° |
| C16 | N15 | H25 | 119.0° | 120.1° |
| C18 | C17 | C19 | 111.3° | 109.5° |
| C18 | C17 | C14 | 111.5° | 109.5° |
| C18 | C17 | H21 | 108.2° | 109.5° |
| C17 | C18 | H22 | 109.5° | 109.4° |
| C17 | C18 | H23 | 109.5° | 109.5° |
| C17 | C18 | H24 | 109.4° | 109.4° |
| N15 | C12 | C14 | 110.6° | 109.5° |
| N15 | C12 | C11 | 110.1° | 109.4° |
| N15 | C12 | H7 | 109.8° | 109.5° |
| C12 | N15 | H25 | 119.0° | 120.0° |
| F10 | C7 | C8 | 108.2° | 111.0° |
| F10 | C7 | C1 | 110.5° | 110.9° |
| F10 | C7 | H4 | 113.0° | 110.9° |
| C19 | C17 | C14 | 109.6° | 109.5° |
| C17 | C19 | H10 | 109.5° | 109.5° |
| C17 | C19 | H11 | 109.4° | 109.4° |
| C17 | C19 | H12 | 109.5° | 109.5° |
| C19 | C17 | H21 | 108.1° | 109.4° |
| C17 | C14 | C12 | 115.2° | 109.5° |
| C17 | C14 | H8 | 108.0° | 109.4° |
| C17 | C14 | H9 | 108.0° | 109.5° |
| C14 | C17 | H21 | 108.1° | 109.4° |
| C14 | C12 | C11 | 108.2° | 109.5° |
| C14 | C12 | H7 | 108.9° | 109.5° |
| C12 | C14 | H8 | 108.0° | 109.4° |
| C12 | C14 | H9 | 108.0° | 109.5° |
| C12 | C11 | N6 | 120.5° | 120.0° |
| C12 | C11 | O13 | 117.2° | 120.0° |
| C11 | C12 | H7 | 109.2° | 109.5° |
| C7 | C8 | N6 | 101.9° | 104.8° |
| C8 | C7 | C1 | 102.7° | 101.9° |
| C8 | C7 | H4 | 110.9° | 111.0° |
| C7 | C8 | H5 | 111.3° | 110.3° |
| C7 | C8 | H6 | 111.3° | 110.4° |
| C8 | N6 | C11 | 125.4° | 125.6° |
| C8 | N6 | C2 | 111.2° | 108.8° |
| N6 | C8 | H5 | 111.3° | 110.4° |
| N6 | C8 | H6 | 111.3° | 110.4° |
| C7 | C1 | C2 | 105.3° | 103.0° |
| C7 | C1 | O5 | 111.6° | 108.3° |
| C7 | C1 | H1 | 110.8° | 113.7° |
| C1 | C7 | H4 | 111.0° | 110.9° |
| N6 | C11 | O13 | 122.3° | 120.0° |
| C11 | N6 | C2 | 121.9° | 125.6° |
| N6 | C2 | C1 | 103.2° | 107.2° |
| N6 | C2 | C3 | 115.5° | 109.3° |
| N6 | C2 | H2 | 112.0° | 112.4° |
| C2 | C1 | O5 | 106.4° | 104.8° |
| C1 | C2 | C3 | 102.6° | 104.0° |
| C2 | C1 | H1 | 110.5° | 113.2° |
| C1 | C2 | H2 | 111.2° | 111.8° |
| C1 | O5 | C4 | 109.2° | 105.6° |
| O5 | C1 | H1 | 111.9° | 113.0° |
| C2 | C3 | C4 | 102.1° | 104.2° |
| C2 | C3 | O9 | 107.0° | 110.5° |
| C3 | C2 | H2 | 111.5° | 111.8° |
| C2 | C3 | H3 | 112.7° | 110.5° |
| O5 | C4 | C3 | 103.7° | 104.8° |
| O5 | C4 | H18 | 110.9° | 110.4° |
| O5 | C4 | H19 | 110.9° | 110.4° |
| C4 | C3 | O9 | 107.8° | 110.5° |
| C4 | C3 | H3 | 112.6° | 110.6° |
| C3 | C4 | H18 | 110.9° | 110.4° |
| C3 | C4 | H19 | 110.9° | 110.3° |
| O9 | C3 | H3 | 113.8° | 110.5° |
| C3 | O9 | H20 | 109.5° | 114.0° |
| H5 | C8 | H6 | 109.5° | 110.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.4° |
| H10 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.4° |
| H14 | C33 | H15 | 109.5° | 109.5° |
| H16 | C34 | H17 | 109.4° | 109.5° |
| H18 | C4 | H19 | 109.5° | 110.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H22 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H31 | C38 | H32 | 109.4° | 109.4° |
| H31 | C38 | H33 | 109.5° | 109.5° |
| H32 | C38 | H33 | 109.4° | 109.5° |
| H34 | C36 | H35 | 109.5° | 109.5° |
| H36 | C37 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | N35 | C36 | C34 | 123.1° | 123.9° |
| C38 | N35 | C36 | C37 | 177.7° | 176.8° |
| C38 | N35 | C34 | C33 | 177.4° | 176.8° |
| C38 | N35 | C34 | H16 | 61.9° | 63.2° |
| C38 | N35 | C34 | H17 | 56.7° | 56.8° |
| N35 | C38 | H31 | H32 | 120.0° | 119.9° |
| N35 | C38 | H31 | H33 | 120.0° | 120.1° |
| N35 | C38 | H32 | H33 | 120.0° | 120.0° |
| C38 | N35 | C36 | H34 | 62.1° | 63.3° |
| C38 | N35 | C36 | H35 | 57.5° | 56.8° |
| N35 | C36 | C37 | H34 | 120.2° | 120.0° |
| N35 | C36 | C37 | H35 | 120.2° | 120.0° |
| N35 | C36 | C37 | N32 | 46.4° | 58.4° |
| C36 | N35 | C34 | C33 | 54.3° | 59.3° |
| C36 | N35 | C34 | H16 | 175.0° | 60.6° |
| C36 | N35 | C34 | H17 | 66.4° | 179.3° |
| C36 | N35 | C38 | H31 | 180.0° | 60.1° |
| C36 | N35 | C38 | H32 | 60.0° | 180.0° |
| C36 | N35 | C38 | H33 | 60.0° | 60.0° |
| N35 | C36 | H34 | H35 | 119.3° | 120.1° |
| N35 | C36 | C37 | H36 | 166.8° | 61.6° |
| N35 | C36 | C37 | H37 | 74.1° | 178.4° |
| C34 | N35 | C36 | C37 | 59.2° | 59.3° |
| N35 | C34 | C33 | H16 | 120.7° | 119.9° |
| N35 | C34 | C33 | H17 | 120.7° | 120.0° |
| N35 | C34 | C33 | N32 | 35.8° | 58.4° |
| N35 | C34 | C33 | H14 | 84.8° | 61.6° |
| N35 | C34 | C33 | H15 | 156.4° | 178.4° |
| N35 | C34 | H16 | H17 | 117.9° | 120.0° |
| C34 | N35 | C38 | H31 | 55.5° | 63.7° |
| C34 | N35 | C38 | H32 | 175.5° | 56.2° |
| C34 | N35 | C38 | H33 | 64.5° | 176.2° |
| C34 | N35 | C36 | H34 | 61.0° | 60.6° |
| C34 | N35 | C36 | H35 | 179.4° | 179.3° |
| C36 | C37 | N32 | H36 | 120.5° | 120.0° |
| C36 | C37 | N32 | H37 | 120.4° | 120.0° |
| C36 | C37 | N32 | C33 | 31.9° | 59.3° |
| C36 | C37 | N32 | C30 | 150.6° | 176.8° |
| C37 | C36 | H34 | H35 | 119.3° | 120.1° |
| C36 | C37 | H36 | H37 | 118.6° | 120.0° |
| C37 | N32 | C33 | C34 | 26.3° | 59.3° |
| C37 | N32 | C33 | C30 | 177.6° | 123.9° |
| C37 | N32 | C30 | N31 | 3.0° | 56.2° |
| C37 | N32 | C30 | S29 | 178.2° | 123.3° |
| C37 | N32 | C33 | H14 | 94.3° | 60.6° |
| C37 | N32 | C33 | H15 | 147.0° | 179.3° |
| N32 | C37 | C36 | H34 | 73.8° | 61.5° |
| N32 | C37 | C36 | H35 | 166.6° | 178.4° |
| N32 | C37 | H36 | H37 | 118.6° | 120.0° |
| C34 | C33 | N32 | H14 | 120.6° | 120.0° |
| C34 | C33 | N32 | H15 | 120.6° | 119.9° |
| C34 | C33 | N32 | C30 | 156.1° | 176.8° |
| C34 | C33 | H14 | H15 | 118.1° | 120.0° |
| C33 | C34 | H16 | H17 | 117.9° | 120.1° |
| C33 | N32 | C30 | N31 | 179.3° | 180.0° |
| C33 | N32 | C30 | S29 | 4.1° | 0.5° |
| N32 | C33 | H14 | H15 | 118.1° | 120.1° |
| N32 | C33 | C34 | H16 | 156.5° | 61.5° |
| N32 | C33 | C34 | H17 | 84.8° | 178.4° |
| C33 | N32 | C37 | H36 | 152.3° | 60.7° |
| C33 | N32 | C37 | H37 | 88.6° | 179.3° |
| N32 | C30 | N31 | S29 | 175.8° | 179.6° |
| N32 | C30 | N31 | C27 | 179.6° | 179.9° |
| N32 | C30 | S29 | C28 | 176.9° | 179.8° |
| C30 | N32 | C33 | H14 | 83.3° | 63.2° |
| C30 | N32 | C33 | H15 | 35.5° | 56.9° |
| C30 | N32 | C37 | H36 | 30.2° | 63.2° |
| C30 | N32 | C37 | H37 | 88.9° | 56.9° |
| N31 | C30 | S29 | C28 | 1.4° | 0.2° |
| C30 | N31 | C27 | C28 | 5.1° | 0.5° |
| C30 | N31 | C27 | C24 | 176.4° | 179.8° |
| S29 | C30 | N31 | C27 | 3.9° | 0.5° |
| C30 | S29 | C28 | C27 | 1.5° | 0.0° |
| C30 | S29 | C28 | H29 | 178.5° | 180.0° |
| N31 | C27 | C28 | S29 | 4.1° | 0.3° |
| N31 | C27 | C28 | C24 | 171.0° | 179.7° |
| N31 | C27 | C24 | C25 | 20.0° | 175.3° |
| N31 | C27 | C24 | C23 | 166.4° | 4.5° |
| N31 | C27 | C28 | H29 | 176.0° | 179.8° |
| S29 | C28 | C27 | H29 | 180.0° | 180.0° |
| S29 | C28 | C27 | C24 | 175.1° | 180.0° |
| C28 | C27 | C24 | C25 | 150.5° | 5.0° |
| C28 | C27 | C24 | C23 | 23.1° | 175.2° |
| C27 | C24 | C25 | C23 | 173.6° | 179.7° |
| C27 | C24 | C25 | C26 | 176.8° | 180.0° |
| C27 | C24 | C23 | C22 | 176.3° | 180.0° |
| C27 | C24 | C23 | H26 | 3.7° | 0.0° |
| C27 | C24 | C25 | H27 | 3.2° | 0.3° |
| C24 | C27 | C28 | H29 | 4.9° | 0.0° |
| C24 | C25 | C26 | H27 | 180.0° | 179.6° |
| C25 | C24 | C23 | C22 | 2.9° | 0.3° |
| C24 | C25 | C26 | C21 | 1.5° | 0.0° |
| C25 | C24 | C23 | H26 | 177.1° | 179.8° |
| C24 | C25 | C26 | H28 | 178.5° | 180.0° |
| C23 | C24 | C25 | C26 | 3.2° | 0.3° |
| C24 | C23 | C22 | H26 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 1.1° | 0.0° |
| C24 | C23 | C22 | H13 | 178.9° | 180.0° |
| C23 | C24 | C25 | H27 | 176.8° | 179.9° |
| C25 | C26 | C21 | H28 | 180.0° | 180.0° |
| C25 | C26 | C21 | C22 | 0.3° | 0.3° |
| C25 | C26 | C21 | C16 | 177.1° | 180.0° |
| C23 | C22 | C21 | C26 | 0.5° | 0.3° |
| C23 | C22 | C21 | H13 | 180.0° | 180.0° |
| C23 | C22 | C21 | C16 | 177.2° | 180.0° |
| C26 | C21 | C22 | C16 | 176.6° | 179.7° |
| C26 | C21 | C16 | O20 | 28.4° | 179.7° |
| C26 | C21 | C16 | N15 | 144.6° | 0.3° |
| C26 | C21 | C22 | H13 | 179.5° | 179.7° |
| C21 | C26 | C25 | H27 | 178.5° | 179.7° |
| C22 | C21 | C16 | O20 | 154.8° | 0.0° |
| C22 | C21 | C16 | N15 | 32.2° | 180.0° |
| C21 | C22 | C23 | H26 | 178.9° | 180.0° |
| C22 | C21 | C26 | H28 | 179.7° | 179.8° |
| C21 | C16 | O20 | N15 | 172.7° | 180.0° |
| C21 | C16 | N15 | C12 | 161.4° | 176.4° |
| C16 | C21 | C22 | H13 | 2.8° | 0.0° |
| C21 | C16 | N15 | H25 | 18.5° | 3.6° |
| C16 | C21 | C26 | H28 | 2.8° | 0.1° |
| O20 | C16 | N15 | C12 | 11.4° | 3.7° |
| O20 | C16 | N15 | H25 | 168.6° | 176.4° |
| C16 | N15 | C12 | H25 | 180.0° | 180.0° |
| C16 | N15 | C12 | C14 | 162.5° | 83.5° |
| C16 | N15 | C12 | C11 | 78.0° | 156.5° |
| C16 | N15 | C12 | H7 | 42.3° | 36.5° |
| C18 | C17 | C19 | C14 | 123.7° | 120.0° |
| C18 | C17 | C19 | H21 | 118.7° | 120.0° |
| C18 | C17 | C14 | H21 | 118.8° | 120.0° |
| C18 | C17 | C14 | C12 | 69.0° | 168.8° |
| C18 | C17 | C14 | H8 | 51.9° | 71.2° |
| C18 | C17 | C14 | H9 | 170.2° | 48.8° |
| C18 | C17 | C19 | H10 | 180.0° | 167.3° |
| C18 | C17 | C19 | H11 | 60.0° | 72.8° |
| C18 | C17 | C19 | H12 | 60.0° | 47.2° |
| C17 | C18 | H22 | H23 | 120.0° | 120.0° |
| C17 | C18 | H22 | H24 | 120.0° | 120.0° |
| C17 | C18 | H23 | H24 | 120.0° | 120.0° |
| N15 | C12 | C14 | C17 | 56.6° | 52.3° |
| N15 | C12 | C14 | C11 | 120.7° | 120.0° |
| N15 | C12 | C14 | H7 | 120.7° | 120.0° |
| N15 | C12 | C11 | H7 | 120.6° | 120.0° |
| N15 | C12 | C11 | N6 | 124.8° | 172.0° |
| N15 | C12 | C11 | O13 | 52.6° | 8.0° |
| N15 | C12 | C14 | H8 | 177.4° | 172.2° |
| N15 | C12 | C14 | H9 | 64.2° | 67.8° |
| F10 | C7 | C8 | C1 | 116.9° | 118.1° |
| F10 | C7 | C8 | H4 | 124.4° | 123.8° |
| F10 | C7 | C8 | N6 | 78.2° | 81.0° |
| F10 | C7 | C1 | H4 | 126.2° | 123.6° |
| F10 | C7 | C1 | C2 | 79.1° | 83.8° |
| F10 | C7 | C1 | O5 | 165.8° | 165.5° |
| F10 | C7 | C1 | H1 | 40.4° | 39.0° |
| F10 | C7 | C8 | H5 | 163.1° | 37.8° |
| F10 | C7 | C8 | H6 | 40.6° | 160.1° |
| C19 | C17 | C14 | H21 | 117.6° | 120.0° |
| C19 | C17 | C14 | C12 | 167.4° | 71.1° |
| C19 | C17 | C14 | H8 | 71.8° | 48.8° |
| C19 | C17 | C14 | H9 | 46.6° | 168.9° |
| C17 | C19 | H10 | H11 | 120.0° | 119.9° |
| C17 | C19 | H10 | H12 | 120.0° | 120.1° |
| C17 | C19 | H11 | H12 | 120.0° | 120.0° |
| C19 | C17 | C18 | H22 | 180.0° | 60.1° |
| C19 | C17 | C18 | H23 | 60.0° | 180.0° |
| C19 | C17 | C18 | H24 | 60.0° | 59.9° |
| C17 | C14 | C12 | H8 | 120.8° | 119.9° |
| C17 | C14 | C12 | H9 | 120.9° | 120.0° |
| C17 | C14 | C12 | C11 | 177.3° | 67.7° |
| C17 | C14 | C12 | H7 | 64.1° | 172.2° |
| C17 | C14 | H8 | H9 | 117.4° | 120.0° |
| C14 | C17 | C19 | H10 | 56.2° | 72.7° |
| C14 | C17 | C19 | H11 | 63.7° | 47.3° |
| C14 | C17 | C19 | H12 | 176.3° | 167.2° |
| C14 | C17 | C18 | H22 | 57.3° | 60.0° |
| C14 | C17 | C18 | H23 | 177.4° | 60.0° |
| C14 | C17 | C18 | H24 | 62.7° | 180.0° |
| C14 | C12 | C11 | H7 | 118.4° | 120.0° |
| C14 | C12 | C11 | N6 | 114.2° | 68.0° |
| C14 | C12 | C11 | O13 | 68.4° | 112.0° |
| C12 | C14 | H8 | H9 | 117.4° | 120.0° |
| C12 | C14 | C17 | H21 | 49.8° | 48.9° |
| C14 | C12 | N15 | H25 | 17.6° | 96.5° |
| C12 | C11 | N6 | C8 | 22.6° | 1.0° |
| C12 | C11 | N6 | O13 | 177.3° | 180.0° |
| C12 | C11 | N6 | C2 | 172.4° | 179.0° |
| C11 | C12 | C14 | H8 | 61.9° | 52.3° |
| C11 | C12 | C14 | H9 | 56.4° | 172.3° |
| C11 | C12 | N15 | H25 | 102.0° | 23.5° |
| C7 | C8 | N6 | H5 | 118.7° | 118.7° |
| C7 | C8 | N6 | H6 | 118.8° | 118.9° |
| C8 | C7 | C1 | H4 | 118.6° | 118.2° |
| C7 | C8 | N6 | C11 | 138.0° | 154.6° |
| C7 | C8 | N6 | C2 | 28.3° | 25.3° |
| C8 | C7 | C1 | C2 | 36.1° | 34.4° |
| C8 | C7 | C1 | O5 | 79.0° | 76.3° |
| C8 | C7 | C1 | H1 | 155.6° | 157.2° |
| C7 | C8 | H5 | H6 | 123.5° | 122.3° |
| N6 | C8 | C7 | C1 | 38.7° | 37.1° |
| C8 | N6 | C11 | C2 | 165.0° | 180.0° |
| C8 | N6 | C11 | O13 | 154.7° | 179.1° |
| C8 | N6 | C2 | C1 | 6.2° | 3.0° |
| C8 | N6 | C2 | C3 | 105.0° | 109.1° |
| C8 | N6 | C2 | H2 | 125.8° | 126.2° |
| N6 | C8 | C7 | H4 | 157.4° | 155.2° |
| N6 | C8 | H5 | H6 | 123.5° | 122.4° |
| C7 | C1 | C2 | N6 | 18.9° | 20.3° |
| C7 | C1 | C2 | O5 | 118.6° | 113.2° |
| C7 | C1 | C2 | H1 | 119.7° | 123.2° |
| C7 | C1 | O5 | H1 | 124.8° | 126.9° |
| C7 | C1 | C2 | C3 | 139.3° | 136.0° |
| C7 | C1 | O5 | C4 | 110.5° | 149.1° |
| C7 | C1 | C2 | H2 | 101.3° | 103.2° |
| C1 | C7 | C8 | H5 | 80.0° | 155.9° |
| C1 | C7 | C8 | H6 | 157.5° | 81.7° |
| C11 | N6 | C2 | C1 | 160.8° | 177.0° |
| C11 | N6 | C2 | C3 | 88.1° | 70.9° |
| C11 | N6 | C2 | H2 | 41.1° | 53.8° |
| C11 | N6 | C8 | H5 | 103.2° | 35.9° |
| C11 | N6 | C8 | H6 | 19.3° | 86.5° |
| N6 | C11 | C12 | H7 | 4.2° | 52.0° |
| O13 | C11 | N6 | C2 | 10.3° | 0.9° |
| O13 | C11 | C12 | H7 | 173.2° | 128.0° |
| N6 | C2 | C1 | C3 | 120.4° | 115.7° |
| N6 | C2 | C1 | H2 | 120.3° | 123.5° |
| N6 | C2 | C1 | O5 | 99.7° | 92.9° |
| N6 | C2 | C3 | H2 | 129.4° | 125.0° |
| N6 | C2 | C3 | C4 | 75.3° | 115.3° |
| N6 | C2 | C3 | O9 | 171.5° | 126.0° |
| N6 | C2 | C1 | H1 | 138.7° | 143.5° |
| N6 | C2 | C3 | H3 | 45.7° | 3.5° |
| C2 | N6 | C8 | H5 | 90.4° | 144.1° |
| C2 | N6 | C8 | H6 | 147.1° | 93.5° |
| C2 | C1 | O5 | H1 | 120.8° | 123.7° |
| C1 | C2 | C3 | H2 | 119.1° | 120.7° |
| C2 | C1 | O5 | C4 | 3.9° | 39.7° |
| C1 | C2 | C3 | C4 | 36.1° | 1.1° |
| C1 | C2 | C3 | O9 | 77.0° | 119.7° |
| C1 | C2 | C3 | H3 | 157.1° | 117.7° |
| C2 | C1 | C7 | H4 | 154.7° | 152.5° |
| O5 | C1 | C2 | C3 | 20.7° | 22.8° |
| C1 | O5 | C4 | C3 | 27.0° | 40.5° |
| O5 | C1 | C2 | H2 | 140.0° | 143.5° |
| O5 | C1 | C7 | H4 | 39.6° | 41.9° |
| C1 | O5 | C4 | H18 | 146.1° | 159.3° |
| C1 | O5 | C4 | H19 | 92.0° | 78.3° |
| C2 | C3 | C4 | O5 | 39.3° | 24.6° |
| C2 | C3 | C4 | O9 | 112.5° | 118.7° |
| C2 | C3 | C4 | H3 | 121.1° | 118.7° |
| C2 | C3 | O9 | H3 | 125.1° | 122.6° |
| C3 | C2 | C1 | H1 | 100.9° | 100.8° |
| C2 | C3 | C4 | H18 | 158.3° | 143.4° |
| C2 | C3 | C4 | H19 | 79.8° | 94.3° |
| C2 | C3 | O9 | H20 | 180.0° | 180.0° |
| O5 | C4 | C3 | H18 | 119.1° | 118.8° |
| O5 | C4 | C3 | H19 | 119.1° | 118.8° |
| O5 | C4 | C3 | O9 | 73.3° | 143.2° |
| C4 | O5 | C1 | H1 | 124.7° | 84.0° |
| O5 | C4 | C3 | H3 | 160.4° | 94.1° |
| O5 | C4 | H18 | H19 | 122.7° | 122.4° |
| C4 | C3 | O9 | H3 | 125.6° | 122.7° |
| C4 | C3 | C2 | H2 | 155.2° | 119.7° |
| C3 | C4 | H18 | H19 | 122.6° | 122.3° |
| C4 | C3 | O9 | H20 | 70.8° | 65.2° |
| O9 | C3 | C2 | H2 | 42.1° | 1.0° |
| O9 | C3 | C4 | H18 | 45.8° | 97.9° |
| O9 | C3 | C4 | H19 | 167.7° | 24.4° |
| H1 | C1 | C2 | H2 | 18.4° | 19.9° |
| H1 | C1 | C7 | H4 | 85.8° | 84.6° |
| H2 | C2 | C3 | H3 | 83.8° | 121.6° |
| H3 | C3 | C4 | H18 | 80.5° | 24.7° |
| H3 | C3 | C4 | H19 | 41.3° | 147.0° |
| H3 | C3 | O9 | H20 | 54.9° | 57.4° |
| H4 | C7 | C8 | H5 | 38.7° | 86.0° |
| H4 | C7 | C8 | H6 | 83.8° | 36.4° |
| H7 | C12 | C14 | H8 | 56.7° | 67.8° |
| H7 | C12 | C14 | H9 | 175.1° | 52.2° |
| H7 | C12 | N15 | H25 | 137.7° | 143.6° |
| H8 | C14 | C17 | H21 | 170.7° | 168.8° |
| H9 | C14 | C17 | H21 | 71.0° | 71.1° |
| H10 | C19 | H11 | H12 | 120.0° | 120.0° |
| H10 | C19 | C17 | H21 | 61.3° | 47.3° |
| H11 | C19 | C17 | H21 | 178.7° | 167.2° |
| H12 | C19 | C17 | H21 | 58.7° | 72.8° |
| H13 | C22 | C23 | H26 | 1.1° | 0.1° |
| H14 | C33 | C34 | H16 | 35.9° | 178.5° |
| H14 | C33 | C34 | H17 | 154.5° | 58.4° |
| H15 | C33 | C34 | H16 | 82.9° | 58.5° |
| H15 | C33 | C34 | H17 | 35.8° | 61.6° |
| H21 | C17 | C18 | H22 | 61.4° | 180.0° |
| H21 | C17 | C18 | H23 | 58.6° | 60.0° |
| H21 | C17 | C18 | H24 | 178.6° | 60.0° |
| H22 | C18 | H23 | H24 | 120.0° | 120.1° |
| H27 | C25 | C26 | H28 | 1.5° | 0.3° |
| H31 | C38 | H32 | H33 | 120.0° | 120.0° |
| H34 | C36 | C37 | H36 | 46.6° | 178.4° |
| H34 | C36 | C37 | H37 | 165.7° | 58.4° |
| H35 | C36 | C37 | H36 | 73.0° | 58.4° |
| H35 | C36 | C37 | H37 | 46.1° | 61.6° |
