H6X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | N28 | sing | 1.47Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| N28 | C31 | sing | 1.47Å | 1.49Å | |
| N28 | C27 | sing | 1.47Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C30 | N25 | sing | 1.47Å | 1.52Å | |
| C26 | N25 | sing | 1.47Å | 1.52Å | |
| N25 | C22 | sing | 1.47Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C24 | N19 | sing | 1.47Å | 1.49Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| O39 | C40 | sing | 1.43Å | 1.44Å | |
| O39 | C15 | sing | 1.36Å | 1.40Å | |
| N19 | C20 | sing | 1.47Å | 1.48Å | |
| N19 | C16 | sing | 1.40Å | 1.41Å | |
| C15 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| N33 | C37 | doub | 1.32Å | 1.36Å | Aromatic |
| N33 | C34 | sing | 1.33Å | 1.36Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | N12 | sing | 1.40Å | 1.40Å | |
| C37 | C36 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C1 | C38 | sing | 1.53Å | 1.49Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | O8 | sing | 1.36Å | 1.40Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| O8 | C11 | sing | 1.43Å | 1.43Å | |
| C34 | N12 | sing | 1.38Å | 1.41Å | |
| C34 | N35 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | O9 | sing | 1.36Å | 1.39Å | |
| C36 | C38 | sing | 1.51Å | 1.49Å | |
| C36 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| O9 | C10 | sing | 1.43Å | 1.41Å | |
| N35 | C32 | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.08Å | 1.08Å | |
| C37 | H39 | sing | 1.08Å | 1.08Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C40 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N28 | C29 | C30 | 113.7° | 109.4° |
| C29 | N28 | C31 | 115.1° | 111.0° |
| C29 | N28 | C27 | 116.5° | 110.8° |
| N28 | C29 | H31 | 108.4° | 109.4° |
| N28 | C29 | H32 | 108.4° | 109.5° |
| C29 | C30 | N25 | 113.3° | 109.3° |
| C30 | C29 | H31 | 108.4° | 109.5° |
| C30 | C29 | H32 | 108.4° | 109.5° |
| C29 | C30 | H33 | 108.5° | 109.5° |
| C29 | C30 | H34 | 108.5° | 109.5° |
| C31 | N28 | C27 | 115.7° | 111.0° |
| N28 | C31 | H35 | 109.5° | 109.5° |
| N28 | C31 | H36 | 109.5° | 109.5° |
| N28 | C31 | H37 | 109.5° | 109.5° |
| N28 | C27 | C26 | 112.9° | 109.4° |
| N28 | C27 | H28 | 108.6° | 109.5° |
| N28 | C27 | H29 | 108.6° | 109.5° |
| C27 | C26 | N25 | 113.8° | 109.4° |
| C27 | C26 | H26 | 108.4° | 109.5° |
| C27 | C26 | H27 | 108.4° | 109.5° |
| C26 | C27 | H28 | 108.6° | 109.5° |
| C26 | C27 | H29 | 108.6° | 109.5° |
| C30 | N25 | C26 | 116.1° | 110.9° |
| C30 | N25 | C22 | 120.0° | 111.0° |
| N25 | C30 | H33 | 108.5° | 109.5° |
| N25 | C30 | H34 | 108.5° | 109.5° |
| C26 | N25 | C22 | 114.1° | 111.0° |
| N25 | C26 | H26 | 108.4° | 109.5° |
| N25 | C26 | H27 | 108.4° | 109.5° |
| N25 | C22 | C23 | 117.7° | 109.5° |
| N25 | C22 | C21 | 112.7° | 109.5° |
| N25 | C22 | H20 | 103.6° | 109.5° |
| C22 | C23 | C24 | 113.7° | 109.2° |
| C23 | C22 | C21 | 114.0° | 109.2° |
| C23 | C22 | H20 | 103.4° | 109.5° |
| C22 | C23 | H21 | 108.4° | 109.5° |
| C22 | C23 | H22 | 108.4° | 109.5° |
| C23 | C24 | N19 | 114.6° | 109.5° |
| C24 | C23 | H21 | 108.4° | 109.5° |
| C24 | C23 | H22 | 108.4° | 109.5° |
| C23 | C24 | H23 | 108.2° | 109.4° |
| C23 | C24 | H24 | 108.2° | 109.5° |
| C22 | C21 | C20 | 112.3° | 109.3° |
| C22 | C21 | H18 | 108.8° | 109.5° |
| C22 | C21 | H19 | 108.8° | 109.5° |
| C21 | C22 | H20 | 103.4° | 109.5° |
| C24 | N19 | C20 | 118.3° | 111.2° |
| C24 | N19 | C16 | 122.1° | 111.0° |
| N19 | C24 | H23 | 108.1° | 109.4° |
| N19 | C24 | H24 | 108.2° | 109.5° |
| C21 | C20 | N19 | 111.9° | 109.5° |
| C21 | C20 | H16 | 108.9° | 109.5° |
| C21 | C20 | H17 | 108.9° | 109.4° |
| C20 | C21 | H18 | 108.8° | 109.5° |
| C20 | C21 | H19 | 108.8° | 109.5° |
| C40 | O39 | C15 | 108.7° | 117.0° |
| O39 | C40 | H42 | 109.5° | 109.5° |
| O39 | C40 | H43 | 109.5° | 109.5° |
| O39 | C40 | H44 | 109.5° | 109.4° |
| O39 | C15 | C16 | 123.0° | 120.1° |
| O39 | C15 | C14 | 115.3° | 120.0° |
| C20 | N19 | C16 | 119.6° | 111.0° |
| N19 | C20 | H16 | 108.9° | 109.5° |
| N19 | C20 | H17 | 108.8° | 109.4° |
| N19 | C16 | C15 | 125.7° | 120.0° |
| N19 | C16 | C17 | 115.5° | 120.1° |
| C16 | C15 | C14 | 121.7° | 119.9° |
| C15 | C16 | C17 | 118.8° | 119.9° |
| C15 | C14 | C13 | 119.4° | 119.9° |
| C15 | C14 | H13 | 120.3° | 120.0° |
| C16 | C17 | C18 | 118.8° | 120.1° |
| C16 | C17 | H14 | 120.6° | 120.0° |
| C14 | C13 | C18 | 118.8° | 120.1° |
| C14 | C13 | N12 | 121.4° | 120.0° |
| C13 | C14 | H13 | 120.3° | 120.0° |
| C17 | C18 | C13 | 122.6° | 120.1° |
| C18 | C17 | H14 | 120.6° | 120.0° |
| C17 | C18 | H15 | 118.7° | 120.0° |
| C37 | N33 | C34 | 118.3° | 120.7° |
| N33 | C37 | C36 | 122.0° | 119.2° |
| N33 | C37 | H39 | 119.0° | 120.4° |
| N33 | C34 | N12 | 123.2° | 119.2° |
| N33 | C34 | N35 | 122.9° | 121.6° |
| C18 | C13 | N12 | 119.9° | 120.0° |
| C13 | C18 | H15 | 118.7° | 120.0° |
| C13 | N12 | C34 | 125.4° | 120.0° |
| C13 | N12 | H12 | 117.3° | 120.0° |
| C37 | C36 | C38 | 127.1° | 120.7° |
| C37 | C36 | C32 | 115.4° | 118.5° |
| C36 | C37 | H39 | 119.0° | 120.4° |
| C2 | C1 | C38 | 112.9° | 109.5° |
| C1 | C2 | C3 | 122.6° | 119.9° |
| C1 | C2 | C7 | 118.8° | 119.9° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C2 | C1 | H2 | 108.6° | 109.5° |
| C1 | C38 | C36 | 113.8° | 109.5° |
| C38 | C1 | H1 | 108.6° | 109.4° |
| C38 | C1 | H2 | 108.6° | 109.5° |
| C1 | C38 | H40 | 108.4° | 109.5° |
| C1 | C38 | H41 | 108.4° | 109.5° |
| C3 | C2 | C7 | 118.6° | 120.1° |
| C2 | C3 | C4 | 121.0° | 120.0° |
| C2 | C3 | H3 | 119.5° | 120.0° |
| C2 | C7 | C6 | 120.4° | 120.0° |
| C2 | C7 | H5 | 119.8° | 120.0° |
| C3 | C4 | O8 | 119.7° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C4 | C3 | H3 | 119.5° | 120.0° |
| C7 | C6 | C5 | 121.0° | 120.0° |
| C7 | C6 | O9 | 117.7° | 120.0° |
| C6 | C7 | H5 | 119.8° | 120.0° |
| O8 | C4 | C5 | 120.3° | 120.0° |
| C4 | O8 | C11 | 110.8° | 117.0° |
| C4 | C5 | C6 | 119.2° | 119.8° |
| C4 | C5 | H4 | 120.4° | 120.1° |
| O8 | C11 | H9 | 109.5° | 109.5° |
| O8 | C11 | H10 | 109.5° | 109.5° |
| O8 | C11 | H11 | 109.5° | 109.4° |
| N12 | C34 | N35 | 113.9° | 119.2° |
| C34 | N12 | H12 | 117.4° | 120.0° |
| C34 | N35 | C32 | 116.7° | 120.7° |
| C5 | C6 | O9 | 121.3° | 120.0° |
| C6 | C5 | H4 | 120.4° | 120.1° |
| C6 | O9 | C10 | 109.9° | 117.0° |
| C38 | C36 | C32 | 117.5° | 120.7° |
| C36 | C38 | H40 | 108.4° | 109.5° |
| C36 | C38 | H41 | 108.4° | 109.5° |
| C36 | C32 | N35 | 124.7° | 119.2° |
| C36 | C32 | H38 | 117.7° | 120.4° |
| O9 | C10 | H6 | 109.5° | 109.5° |
| O9 | C10 | H7 | 109.4° | 109.4° |
| O9 | C10 | H8 | 109.5° | 109.5° |
| N35 | C32 | H38 | 117.6° | 120.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.4° | 109.4° |
| H6 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H11 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.6° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H33 | C30 | H34 | 109.5° | 109.5° |
| H35 | C31 | H36 | 109.5° | 109.5° |
| H35 | C31 | H37 | 109.5° | 109.5° |
| H36 | C31 | H37 | 109.4° | 109.4° |
| H40 | C38 | H41 | 109.5° | 109.5° |
| H42 | C40 | H43 | 109.5° | 109.5° |
| H42 | C40 | H44 | 109.4° | 109.5° |
| H43 | C40 | H44 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N28 | C29 | C30 | H31 | 120.7° | 119.9° |
| N28 | C29 | C30 | H32 | 120.6° | 120.0° |
| C29 | N28 | C31 | C27 | 140.6° | 123.7° |
| C29 | N28 | C27 | C26 | 51.9° | 59.3° |
| N28 | C29 | C30 | N25 | 35.0° | 58.4° |
| C29 | N28 | C27 | H28 | 68.7° | 179.3° |
| C29 | N28 | C27 | H29 | 172.4° | 60.7° |
| N28 | C29 | H31 | H32 | 118.1° | 120.0° |
| N28 | C29 | C30 | H33 | 155.6° | 178.4° |
| N28 | C29 | C30 | H34 | 85.6° | 61.5° |
| C29 | N28 | C31 | H35 | 180.0° | 176.3° |
| C29 | N28 | C31 | H36 | 60.0° | 56.3° |
| C29 | N28 | C31 | H37 | 60.0° | 63.7° |
| C30 | C29 | N28 | C31 | 125.2° | 64.5° |
| C30 | C29 | N28 | C27 | 15.0° | 59.3° |
| C29 | C30 | N25 | H33 | 120.6° | 120.0° |
| C29 | C30 | N25 | H34 | 120.6° | 119.9° |
| C29 | C30 | N25 | C26 | 51.0° | 59.3° |
| C29 | C30 | N25 | C22 | 92.8° | 176.8° |
| C30 | C29 | H31 | H32 | 118.1° | 120.1° |
| C29 | C30 | H33 | H34 | 118.2° | 120.1° |
| C31 | N28 | C27 | C26 | 88.2° | 64.5° |
| C31 | N28 | C27 | H28 | 151.3° | 55.4° |
| C31 | N28 | C27 | H29 | 32.4° | 175.5° |
| C31 | N28 | C29 | H31 | 4.6° | 55.5° |
| C31 | N28 | C29 | H32 | 114.2° | 175.5° |
| N28 | C31 | H35 | H36 | 120.0° | 120.0° |
| N28 | C31 | H35 | H37 | 120.0° | 120.0° |
| N28 | C31 | H36 | H37 | 120.0° | 120.0° |
| N28 | C27 | C26 | H28 | 120.5° | 120.0° |
| N28 | C27 | C26 | H29 | 120.5° | 120.0° |
| N28 | C27 | C26 | N25 | 35.5° | 58.4° |
| N28 | C27 | C26 | H26 | 156.1° | 61.6° |
| N28 | C27 | C26 | H27 | 85.1° | 178.4° |
| N28 | C27 | H28 | H29 | 118.4° | 120.1° |
| C27 | N28 | C29 | H31 | 135.7° | 179.3° |
| C27 | N28 | C29 | H32 | 105.6° | 60.7° |
| C27 | N28 | C31 | H35 | 39.4° | 60.0° |
| C27 | N28 | C31 | H36 | 159.4° | 180.0° |
| C27 | N28 | C31 | H37 | 80.6° | 60.0° |
| C27 | C26 | N25 | C30 | 14.2° | 59.3° |
| C27 | C26 | N25 | H26 | 120.6° | 120.0° |
| C27 | C26 | N25 | H27 | 120.6° | 119.9° |
| C27 | C26 | N25 | C22 | 131.7° | 176.8° |
| C27 | C26 | H26 | H27 | 118.0° | 120.0° |
| C26 | C27 | H28 | H29 | 118.4° | 120.1° |
| C30 | N25 | C26 | C22 | 145.9° | 123.9° |
| C30 | N25 | C22 | C23 | 15.7° | 53.6° |
| C30 | N25 | C22 | C21 | 120.0° | 66.2° |
| C30 | N25 | C22 | H20 | 129.0° | 173.7° |
| C30 | N25 | C26 | H26 | 106.4° | 60.7° |
| C30 | N25 | C26 | H27 | 134.8° | 179.3° |
| N25 | C30 | C29 | H31 | 85.7° | 178.3° |
| N25 | C30 | C29 | H32 | 155.6° | 61.6° |
| N25 | C30 | H33 | H34 | 118.3° | 120.0° |
| C26 | N25 | C22 | C23 | 128.8° | 70.3° |
| C26 | N25 | C22 | C21 | 95.5° | 170.0° |
| C26 | N25 | C22 | H20 | 15.5° | 49.9° |
| N25 | C26 | H26 | H27 | 118.0° | 120.1° |
| N25 | C26 | C27 | H28 | 85.0° | 178.3° |
| N25 | C26 | C27 | H29 | 156.0° | 61.6° |
| C26 | N25 | C30 | H33 | 171.6° | 179.3° |
| C26 | N25 | C30 | H34 | 69.5° | 60.6° |
| N25 | C22 | C23 | C21 | 135.1° | 119.9° |
| N25 | C22 | C23 | H20 | 113.4° | 120.1° |
| N25 | C22 | C23 | C24 | 125.7° | 177.6° |
| N25 | C22 | C21 | H20 | 111.1° | 120.1° |
| N25 | C22 | C21 | C20 | 178.0° | 177.6° |
| N25 | C22 | C21 | H18 | 57.6° | 62.4° |
| N25 | C22 | C21 | H19 | 61.6° | 57.7° |
| N25 | C22 | C23 | H21 | 113.7° | 62.5° |
| N25 | C22 | C23 | H22 | 5.1° | 57.7° |
| C22 | N25 | C26 | H26 | 107.7° | 63.2° |
| C22 | N25 | C26 | H27 | 11.1° | 56.8° |
| C22 | N25 | C30 | H33 | 27.8° | 56.8° |
| C22 | N25 | C30 | H34 | 146.7° | 63.3° |
| C22 | C23 | C24 | H21 | 120.6° | 119.9° |
| C22 | C23 | C24 | H22 | 120.6° | 119.9° |
| C23 | C22 | C21 | H20 | 111.5° | 119.9° |
| C22 | C23 | C24 | N19 | 46.4° | 59.2° |
| C23 | C22 | C21 | C20 | 40.6° | 57.7° |
| C23 | C22 | C21 | H18 | 79.8° | 177.6° |
| C23 | C22 | C21 | H19 | 161.0° | 62.3° |
| C22 | C23 | H21 | H22 | 118.1° | 120.1° |
| C22 | C23 | C24 | H23 | 167.2° | 179.2° |
| C22 | C23 | C24 | H24 | 74.3° | 60.8° |
| C24 | C23 | C22 | C21 | 9.4° | 57.7° |
| C23 | C24 | N19 | H23 | 120.8° | 120.0° |
| C23 | C24 | N19 | H24 | 120.8° | 120.0° |
| C23 | C24 | N19 | C20 | 31.6° | 61.8° |
| C23 | C24 | N19 | C16 | 148.1° | 174.1° |
| C24 | C23 | C22 | H20 | 120.9° | 62.2° |
| C24 | C23 | H21 | H22 | 118.0° | 120.1° |
| C23 | C24 | H23 | H24 | 117.7° | 120.0° |
| C22 | C21 | C20 | H18 | 120.4° | 119.9° |
| C22 | C21 | C20 | H19 | 120.4° | 120.0° |
| C22 | C21 | C20 | N19 | 56.3° | 59.2° |
| C22 | C21 | C20 | H16 | 176.7° | 60.9° |
| C22 | C21 | C20 | H17 | 64.0° | 179.2° |
| C22 | C21 | H18 | H19 | 118.7° | 120.1° |
| C21 | C22 | C23 | H21 | 111.2° | 177.6° |
| C21 | C22 | C23 | H22 | 130.1° | 62.2° |
| C24 | N19 | C20 | C21 | 19.4° | 61.8° |
| C24 | N19 | C20 | C16 | 179.7° | 124.1° |
| C24 | N19 | C16 | C15 | 0.8° | 169.5° |
| C24 | N19 | C16 | C17 | 179.2° | 10.6° |
| C24 | N19 | C20 | H16 | 139.8° | 58.2° |
| C24 | N19 | C20 | H17 | 101.0° | 178.2° |
| N19 | C24 | C23 | H21 | 74.2° | 179.1° |
| N19 | C24 | C23 | H22 | 167.1° | 60.7° |
| N19 | C24 | H23 | H24 | 117.6° | 120.0° |
| C21 | C20 | N19 | H16 | 120.4° | 120.1° |
| C21 | C20 | N19 | H17 | 120.4° | 120.0° |
| C21 | C20 | N19 | C16 | 160.9° | 174.1° |
| C21 | C20 | H16 | H17 | 118.9° | 120.0° |
| C20 | C21 | H18 | H19 | 118.7° | 120.1° |
| C20 | C21 | C22 | H20 | 70.9° | 62.2° |
| C40 | O39 | C15 | C16 | 145.2° | 179.9° |
| C40 | O39 | C15 | C14 | 34.8° | 0.0° |
| O39 | C40 | H42 | H43 | 120.0° | 120.0° |
| O39 | C40 | H42 | H44 | 120.0° | 119.9° |
| O39 | C40 | H43 | H44 | 120.0° | 119.9° |
| O39 | C15 | C16 | N19 | 0.4° | 0.1° |
| O39 | C15 | C16 | C14 | 180.0° | 179.9° |
| O39 | C15 | C16 | C17 | 179.7° | 180.0° |
| O39 | C15 | C14 | C13 | 179.8° | 180.0° |
| O39 | C15 | C14 | H13 | 0.1° | 0.0° |
| C15 | O39 | C40 | H42 | 180.0° | 60.0° |
| C15 | O39 | C40 | H43 | 60.0° | 60.1° |
| C15 | O39 | C40 | H44 | 60.0° | 180.0° |
| C20 | N19 | C16 | C15 | 179.5° | 66.3° |
| C20 | N19 | C16 | C17 | 0.5° | 113.5° |
| N19 | C20 | H16 | H17 | 118.9° | 120.0° |
| N19 | C20 | C21 | H18 | 64.1° | 179.1° |
| N19 | C20 | C21 | H19 | 176.8° | 60.7° |
| C20 | N19 | C24 | H23 | 152.3° | 178.2° |
| C20 | N19 | C24 | H24 | 89.2° | 58.2° |
| N19 | C16 | C15 | C17 | 179.9° | 179.9° |
| N19 | C16 | C15 | C14 | 179.6° | 180.0° |
| N19 | C16 | C17 | C18 | 179.1° | 180.0° |
| N19 | C16 | C17 | H14 | 0.9° | 0.1° |
| C16 | N19 | C20 | H16 | 40.5° | 65.8° |
| C16 | N19 | C20 | H17 | 78.7° | 54.2° |
| C16 | N19 | C24 | H23 | 27.4° | 54.2° |
| C16 | N19 | C24 | H24 | 91.1° | 65.9° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C16 | C17 | C18 | 0.9° | 0.1° |
| C16 | C15 | C14 | H13 | 179.9° | 180.0° |
| C15 | C16 | C17 | H14 | 179.2° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.1° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | C18 | 0.0° | 0.0° |
| C15 | C14 | C13 | N12 | 179.7° | 179.8° |
| C16 | C17 | C18 | H14 | 180.0° | 179.9° |
| C16 | C17 | C18 | C13 | 1.0° | 0.0° |
| C16 | C17 | C18 | H15 | 179.0° | 179.7° |
| C14 | C13 | C18 | C17 | 0.6° | 0.0° |
| C14 | C13 | C18 | N12 | 179.8° | 179.8° |
| C14 | C13 | N12 | C34 | 14.1° | 33.6° |
| C14 | C13 | N12 | H12 | 165.8° | 146.3° |
| C14 | C13 | C18 | H15 | 179.4° | 179.8° |
| C17 | C18 | C13 | H15 | 180.0° | 179.8° |
| C17 | C18 | C13 | N12 | 179.7° | 179.8° |
| N33 | C37 | C36 | H39 | 180.0° | 179.8° |
| C37 | N33 | C34 | N12 | 179.9° | 180.0° |
| C37 | N33 | C34 | N35 | 0.6° | 0.3° |
| N33 | C37 | C36 | C38 | 179.5° | 180.0° |
| N33 | C37 | C36 | C32 | 0.4° | 0.1° |
| N33 | C34 | N12 | C13 | 1.4° | 174.8° |
| C34 | N33 | C37 | C36 | 0.1° | 0.3° |
| N33 | C34 | N12 | N35 | 179.4° | 179.7° |
| N33 | C34 | N35 | C32 | 0.5° | 0.1° |
| N33 | C34 | N12 | H12 | 178.6° | 5.1° |
| C34 | N33 | C37 | H39 | 179.9° | 179.9° |
| C18 | C13 | N12 | C34 | 165.6° | 146.6° |
| C18 | C13 | N12 | H12 | 14.4° | 33.5° |
| C18 | C13 | C14 | H13 | 180.0° | 180.0° |
| C13 | C18 | C17 | H14 | 179.0° | 180.0° |
| C13 | N12 | C34 | H12 | 180.0° | 180.0° |
| C13 | N12 | C34 | N35 | 179.1° | 5.5° |
| N12 | C13 | C14 | H13 | 0.3° | 0.2° |
| N12 | C13 | C18 | H15 | 0.3° | 0.0° |
| C37 | C36 | C38 | C1 | 37.5° | 90.0° |
| C37 | C36 | C38 | C32 | 180.0° | 179.9° |
| C37 | C36 | C32 | N35 | 0.5° | 0.3° |
| C37 | C36 | C32 | H38 | 179.4° | 180.0° |
| C37 | C36 | C38 | H40 | 83.2° | 150.0° |
| C37 | C36 | C38 | H41 | 158.1° | 30.0° |
| C2 | C1 | C38 | H1 | 120.5° | 120.0° |
| C2 | C1 | C38 | H2 | 120.5° | 120.0° |
| C1 | C2 | C3 | C7 | 178.8° | 179.7° |
| C1 | C2 | C3 | C4 | 178.4° | 180.0° |
| C1 | C2 | C7 | C6 | 177.8° | 179.7° |
| C2 | C1 | C38 | C36 | 174.0° | 180.0° |
| C2 | C1 | H1 | H2 | 118.5° | 120.0° |
| C1 | C2 | C3 | H3 | 1.6° | 0.0° |
| C1 | C2 | C7 | H5 | 2.1° | 0.0° |
| C2 | C1 | C38 | H40 | 65.3° | 60.0° |
| C2 | C1 | C38 | H41 | 53.4° | 60.0° |
| C38 | C1 | C2 | C3 | 67.8° | 90.0° |
| C38 | C1 | C2 | C7 | 113.4° | 90.3° |
| C1 | C38 | C36 | H40 | 120.6° | 120.0° |
| C1 | C38 | C36 | H41 | 120.6° | 120.0° |
| C1 | C38 | C36 | C32 | 142.6° | 90.0° |
| C38 | C1 | H1 | H2 | 118.4° | 120.0° |
| C1 | C38 | H40 | H41 | 118.0° | 120.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C3 | C2 | C7 | C6 | 1.0° | 0.6° |
| C2 | C3 | C4 | O8 | 179.8° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C2 | C1 | H1 | 171.7° | 150.0° |
| C3 | C2 | C1 | H2 | 52.7° | 30.0° |
| C3 | C2 | C7 | H5 | 179.0° | 179.7° |
| C7 | C2 | C3 | C4 | 0.3° | 0.3° |
| C2 | C7 | C6 | H5 | 180.0° | 179.7° |
| C2 | C7 | C6 | C5 | 0.8° | 0.5° |
| C2 | C7 | C6 | O9 | 180.0° | 179.7° |
| C7 | C2 | C1 | H1 | 7.1° | 29.7° |
| C7 | C2 | C1 | H2 | 126.1° | 149.7° |
| C7 | C2 | C3 | H3 | 179.6° | 179.7° |
| C3 | C4 | O8 | C5 | 179.4° | 180.0° |
| C3 | C4 | O8 | C11 | 169.6° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C3 | C4 | C5 | H4 | 179.4° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.2° |
| C7 | C6 | C5 | O9 | 179.1° | 179.8° |
| C7 | C6 | O9 | C10 | 171.0° | 179.8° |
| C7 | C6 | C5 | H4 | 180.0° | 179.8° |
| O8 | C4 | C5 | C6 | 180.0° | 180.0° |
| O8 | C4 | C3 | H3 | 0.2° | 0.0° |
| O8 | C4 | C5 | H4 | 0.0° | 0.0° |
| C4 | O8 | C11 | H9 | 180.0° | 60.0° |
| C4 | O8 | C11 | H10 | 60.0° | 60.0° |
| C4 | O8 | C11 | H11 | 60.0° | 180.0° |
| C5 | C4 | O8 | C11 | 9.8° | 0.0° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | O9 | 179.2° | 180.0° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| O8 | C11 | H9 | H10 | 120.0° | 120.0° |
| O8 | C11 | H9 | H11 | 120.0° | 119.9° |
| O8 | C11 | H10 | H11 | 120.0° | 119.9° |
| N12 | C34 | N35 | C32 | 179.9° | 179.7° |
| C34 | N35 | C32 | C36 | 0.1° | 0.2° |
| N35 | C34 | N12 | H12 | 0.9° | 174.5° |
| C34 | N35 | C32 | H38 | 179.9° | 180.0° |
| C5 | C6 | O9 | C10 | 9.9° | 0.0° |
| C5 | C6 | C7 | H5 | 179.2° | 179.8° |
| O9 | C6 | C5 | H4 | 0.8° | 0.0° |
| O9 | C6 | C7 | H5 | 0.0° | 0.0° |
| C6 | O9 | C10 | H6 | 180.0° | 60.0° |
| C6 | O9 | C10 | H7 | 60.0° | 60.0° |
| C6 | O9 | C10 | H8 | 60.0° | 180.0° |
| C38 | C36 | C32 | N35 | 179.4° | 179.8° |
| C36 | C38 | C1 | H1 | 53.5° | 60.0° |
| C36 | C38 | C1 | H2 | 65.5° | 60.0° |
| C38 | C36 | C32 | H38 | 0.6° | 0.0° |
| C38 | C36 | C37 | H39 | 0.5° | 0.2° |
| C36 | C38 | H40 | H41 | 118.0° | 120.0° |
| C36 | C32 | N35 | H38 | 180.0° | 179.8° |
| C32 | C36 | C37 | H39 | 179.5° | 179.8° |
| C32 | C36 | C38 | H40 | 96.8° | 30.0° |
| C32 | C36 | C38 | H41 | 21.9° | 150.0° |
| O9 | C10 | H6 | H7 | 120.0° | 119.9° |
| O9 | C10 | H6 | H8 | 120.0° | 120.1° |
| O9 | C10 | H7 | H8 | 120.0° | 120.0° |
| H1 | C1 | C38 | H40 | 174.2° | 180.0° |
| H1 | C1 | C38 | H41 | 67.1° | 60.0° |
| H2 | C1 | C38 | H40 | 55.2° | 60.0° |
| H2 | C1 | C38 | H41 | 173.9° | 180.0° |
| H6 | C10 | H7 | H8 | 120.0° | 120.0° |
| H9 | C11 | H10 | H11 | 120.0° | 120.0° |
| H14 | C17 | C18 | H15 | 1.0° | 0.2° |
| H16 | C20 | C21 | H18 | 56.3° | 59.0° |
| H16 | C20 | C21 | H19 | 62.8° | 179.2° |
| H17 | C20 | C21 | H18 | 175.6° | 60.9° |
| H17 | C20 | C21 | H19 | 56.4° | 59.2° |
| H18 | C21 | C22 | H20 | 168.7° | 57.7° |
| H19 | C21 | C22 | H20 | 49.6° | 177.8° |
| H20 | C22 | C23 | H21 | 0.3° | 57.7° |
| H20 | C22 | C23 | H22 | 118.5° | 177.8° |
| H21 | C23 | C24 | H23 | 46.5° | 60.9° |
| H21 | C23 | C24 | H24 | 165.1° | 59.1° |
| H22 | C23 | C24 | H23 | 72.2° | 59.2° |
| H22 | C23 | C24 | H24 | 46.3° | 179.3° |
| H26 | C26 | C27 | H28 | 35.6° | 58.4° |
| H26 | C26 | C27 | H29 | 83.4° | 178.4° |
| H27 | C26 | C27 | H28 | 154.3° | 61.7° |
| H27 | C26 | C27 | H29 | 35.4° | 58.4° |
| H31 | C29 | C30 | H33 | 34.9° | 61.7° |
| H31 | C29 | C30 | H34 | 153.8° | 58.4° |
| H32 | C29 | C30 | H33 | 83.8° | 58.4° |
| H32 | C29 | C30 | H34 | 35.0° | 178.5° |
| H35 | C31 | H36 | H37 | 120.0° | 120.0° |
| H42 | C40 | H43 | H44 | 119.9° | 120.1° |
