6VU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C10 | N9 | sing | 1.34Å | 1.34Å | Aromatic |
| C10 | C15 | doub | 1.41Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| N9 | C8 | doub | 1.31Å | 1.31Å | Aromatic |
| C15 | N7 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | N18 | sing | 1.46Å | 1.49Å | |
| C8 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | C16 | sing | 1.48Å | 1.48Å | |
| N7 | C6 | sing | 1.47Å | 1.47Å | |
| N18 | C16 | sing | 1.35Å | 1.36Å | |
| N18 | C23 | sing | 1.46Å | 1.48Å | |
| C16 | O17 | doub | 1.22Å | 1.22Å | |
| O32 | C31 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C30 | C23 | sing | 1.53Å | 1.54Å | |
| C30 | C28 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C31 | C28 | sing | 1.51Å | 1.52Å | |
| C31 | N33 | sing | 1.35Å | 1.36Å | |
| C25 | N26 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C38 | N33 | sing | 1.47Å | 1.49Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| C27 | N26 | sing | 1.47Å | 1.46Å | |
| N33 | C34 | sing | 1.47Å | 1.49Å | |
| C37 | O36 | sing | 1.43Å | 1.44Å | |
| O2 | C1 | sing | 1.43Å | 1.44Å | |
| O36 | C35 | sing | 1.43Å | 1.44Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C12 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| N26 | H29 | sing | 1.01Å | 1.00Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 121.4° | 120.8° |
| C12 | C11 | C10 | 119.6° | 119.9° |
| C12 | C11 | H21 | 120.2° | 120.1° |
| C11 | C12 | H22 | 119.3° | 119.6° |
| C12 | C13 | C14 | 120.4° | 120.5° |
| C12 | C13 | H7 | 119.8° | 119.7° |
| C13 | C12 | H22 | 119.3° | 119.6° |
| C11 | C10 | N9 | 133.1° | 133.4° |
| C11 | C10 | C15 | 119.2° | 119.3° |
| C10 | C11 | H21 | 120.2° | 120.1° |
| C13 | C14 | C15 | 119.0° | 119.7° |
| C14 | C13 | H7 | 119.8° | 119.7° |
| C13 | C14 | H23 | 120.5° | 120.1° |
| C22 | C20 | C19 | 106.2° | 109.5° |
| C22 | C20 | C21 | 111.2° | 109.4° |
| C22 | C20 | H8 | 108.9° | 109.5° |
| C20 | C22 | H12 | 109.5° | 109.5° |
| C20 | C22 | H13 | 109.5° | 109.5° |
| C20 | C22 | H14 | 109.5° | 109.5° |
| N9 | C10 | C15 | 107.8° | 107.3° |
| C10 | N9 | C8 | 109.0° | 109.8° |
| C10 | C15 | C14 | 120.4° | 119.8° |
| C10 | C15 | N7 | 105.8° | 106.1° |
| C14 | C15 | N7 | 133.8° | 134.0° |
| C15 | C14 | H23 | 120.5° | 120.2° |
| N9 | C8 | N7 | 110.3° | 109.7° |
| N9 | C8 | C16 | 126.1° | 125.2° |
| C15 | N7 | C8 | 107.1° | 107.1° |
| C15 | N7 | C6 | 126.1° | 126.4° |
| C19 | C20 | C21 | 112.8° | 109.5° |
| C20 | C19 | N18 | 117.9° | 109.5° |
| C19 | C20 | H8 | 108.8° | 109.4° |
| C20 | C19 | H24 | 107.3° | 109.5° |
| C20 | C19 | H25 | 107.3° | 109.5° |
| C21 | C20 | H8 | 108.9° | 109.5° |
| C20 | C21 | H9 | 109.5° | 109.5° |
| C20 | C21 | H10 | 109.5° | 109.5° |
| C20 | C21 | H11 | 109.5° | 109.4° |
| C19 | N18 | C16 | 123.4° | 120.0° |
| C19 | N18 | C23 | 118.7° | 120.0° |
| N18 | C19 | H24 | 107.3° | 109.5° |
| N18 | C19 | H25 | 107.3° | 109.5° |
| N7 | C8 | C16 | 123.6° | 125.1° |
| C8 | N7 | C6 | 126.8° | 126.5° |
| C8 | C16 | N18 | 122.3° | 120.0° |
| C8 | C16 | O17 | 117.8° | 120.0° |
| N7 | C6 | C5 | 107.7° | 109.5° |
| N7 | C6 | H5 | 109.9° | 109.4° |
| N7 | C6 | H6 | 109.9° | 109.5° |
| C16 | N18 | C23 | 117.7° | 120.0° |
| N18 | C16 | O17 | 119.8° | 120.0° |
| N18 | C23 | C30 | 110.0° | 109.5° |
| N18 | C23 | C25 | 110.3° | 109.5° |
| N18 | C23 | H26 | 108.9° | 109.5° |
| O32 | C31 | C28 | 117.7° | 120.0° |
| O32 | C31 | N33 | 118.2° | 120.0° |
| C6 | C5 | C4 | 109.1° | 109.5° |
| C6 | C5 | H3 | 109.6° | 109.5° |
| C6 | C5 | H4 | 109.5° | 109.4° |
| C5 | C6 | H5 | 109.9° | 109.5° |
| C5 | C6 | H6 | 109.9° | 109.5° |
| C5 | C4 | C3 | 109.1° | 109.4° |
| C5 | C4 | H1 | 109.6° | 109.4° |
| C5 | C4 | H2 | 109.6° | 109.5° |
| C4 | C5 | H3 | 109.6° | 109.5° |
| C4 | C5 | H4 | 109.6° | 109.5° |
| C23 | C30 | C28 | 109.3° | 109.2° |
| C30 | C23 | C25 | 111.4° | 109.2° |
| C30 | C23 | H26 | 108.1° | 109.6° |
| C23 | C30 | H33 | 109.5° | 109.5° |
| C23 | C30 | H34 | 109.5° | 109.5° |
| C30 | C28 | C31 | 110.6° | 109.5° |
| C30 | C28 | C27 | 109.5° | 109.3° |
| C30 | C28 | H15 | 108.8° | 109.6° |
| C28 | C30 | H33 | 109.5° | 109.5° |
| C28 | C30 | H34 | 109.5° | 109.5° |
| C23 | C25 | N26 | 111.5° | 109.5° |
| C25 | C23 | H26 | 108.1° | 109.5° |
| C23 | C25 | H27 | 109.0° | 109.4° |
| C23 | C25 | H28 | 109.0° | 109.4° |
| C28 | C31 | N33 | 124.1° | 120.0° |
| C31 | C28 | C27 | 109.7° | 109.4° |
| C31 | C28 | H15 | 109.2° | 109.5° |
| C31 | N33 | C38 | 119.1° | 121.0° |
| C31 | N33 | C34 | 124.6° | 121.0° |
| C25 | N26 | C27 | 111.0° | 111.2° |
| N26 | C25 | H27 | 109.0° | 109.5° |
| N26 | C25 | H28 | 109.0° | 109.5° |
| C25 | N26 | H29 | 109.1° | 111.0° |
| C4 | C3 | O2 | 111.7° | 109.4° |
| C3 | C4 | H1 | 109.6° | 109.5° |
| C3 | C4 | H2 | 109.6° | 109.5° |
| C4 | C3 | H19 | 108.9° | 109.4° |
| C4 | C3 | H20 | 108.9° | 109.5° |
| N33 | C38 | C37 | 108.5° | 108.6° |
| C38 | N33 | C34 | 116.3° | 118.1° |
| N33 | C38 | H41 | 109.7° | 109.6° |
| N33 | C38 | H42 | 109.7° | 109.7° |
| C38 | C37 | O36 | 108.2° | 109.3° |
| C38 | C37 | H39 | 109.8° | 109.6° |
| C38 | C37 | H40 | 109.8° | 109.4° |
| C37 | C38 | H41 | 109.7° | 109.6° |
| C37 | C38 | H42 | 109.7° | 109.5° |
| C28 | C27 | N26 | 105.7° | 109.5° |
| C27 | C28 | H15 | 109.0° | 109.5° |
| C28 | C27 | H31 | 110.4° | 109.5° |
| C28 | C27 | H32 | 110.4° | 109.5° |
| C3 | O2 | C1 | 115.5° | 114.0° |
| O2 | C3 | H19 | 108.9° | 109.5° |
| O2 | C3 | H20 | 108.9° | 109.5° |
| C27 | N26 | H29 | 109.1° | 111.0° |
| N26 | C27 | H31 | 110.4° | 109.4° |
| N26 | C27 | H32 | 110.4° | 109.5° |
| N33 | C34 | C35 | 106.1° | 108.4° |
| N33 | C34 | H35 | 110.3° | 109.7° |
| N33 | C34 | H36 | 110.3° | 109.7° |
| C37 | O36 | C35 | 114.5° | 114.2° |
| O36 | C37 | H39 | 109.8° | 109.5° |
| O36 | C37 | H40 | 109.8° | 109.5° |
| O2 | C1 | H16 | 109.5° | 109.5° |
| O2 | C1 | H17 | 109.5° | 109.5° |
| O2 | C1 | H18 | 109.5° | 109.5° |
| O36 | C35 | C34 | 108.4° | 109.2° |
| O36 | C35 | H37 | 109.7° | 109.5° |
| O36 | C35 | H38 | 109.7° | 109.5° |
| C35 | C34 | H35 | 110.3° | 109.6° |
| C35 | C34 | H36 | 110.3° | 109.6° |
| C34 | C35 | H37 | 109.7° | 109.5° |
| C34 | C35 | H38 | 109.7° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.4° | 109.5° |
| H9 | C21 | H11 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.4° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H12 | C22 | H14 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.4° |
| H16 | C1 | H17 | 109.5° | 109.4° |
| H16 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.4° |
| H19 | C3 | H20 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.4° | 109.4° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H33 | C30 | H34 | 109.5° | 109.6° |
| H35 | C34 | H36 | 109.5° | 109.8° |
| H37 | C35 | H38 | 109.5° | 109.6° |
| H39 | C37 | H40 | 109.5° | 109.5° |
| H41 | C38 | H42 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H22 | 180.0° | 180.0° |
| C12 | C11 | C10 | H21 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.4° |
| C12 | C11 | C10 | N9 | 179.9° | 180.0° |
| C12 | C11 | C10 | C15 | 0.9° | 0.3° |
| C11 | C12 | C13 | H7 | 179.7° | 180.0° |
| C13 | C12 | C11 | C10 | 1.0° | 0.0° |
| C12 | C13 | C14 | H7 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 0.5° | 0.4° |
| C13 | C12 | C11 | H21 | 179.0° | 180.0° |
| C12 | C13 | C14 | H23 | 179.5° | 180.0° |
| C11 | C10 | N9 | C15 | 179.3° | 179.7° |
| C11 | C10 | C15 | C14 | 0.1° | 0.2° |
| C11 | C10 | N9 | C8 | 179.6° | 180.0° |
| C11 | C10 | C15 | N7 | 180.0° | 179.8° |
| C10 | C11 | C12 | H22 | 179.0° | 180.0° |
| C13 | C14 | C15 | C10 | 0.6° | 0.2° |
| C13 | C14 | C15 | H23 | 180.0° | 179.5° |
| C13 | C14 | C15 | N7 | 179.2° | 179.3° |
| C14 | C13 | C12 | H22 | 179.7° | 179.6° |
| C22 | C20 | C19 | C21 | 122.0° | 119.9° |
| C22 | C20 | C19 | H8 | 117.0° | 120.0° |
| C22 | C20 | C21 | H8 | 120.0° | 120.0° |
| C22 | C20 | C19 | N18 | 166.2° | 173.8° |
| C22 | C20 | C21 | H9 | 180.0° | 55.5° |
| C22 | C20 | C21 | H10 | 60.0° | 64.5° |
| C22 | C20 | C21 | H11 | 60.0° | 175.5° |
| C20 | C22 | H12 | H13 | 120.0° | 120.0° |
| C20 | C22 | H12 | H14 | 120.0° | 120.1° |
| C20 | C22 | H13 | H14 | 120.0° | 120.0° |
| C22 | C20 | C19 | H24 | 45.0° | 53.8° |
| C22 | C20 | C19 | H25 | 72.6° | 66.2° |
| N9 | C10 | C15 | C14 | 179.5° | 180.0° |
| N9 | C10 | C15 | N7 | 0.6° | 0.4° |
| C10 | N9 | C8 | N7 | 0.2° | 0.0° |
| C10 | N9 | C8 | C16 | 178.1° | 179.7° |
| N9 | C10 | C11 | H21 | 0.1° | 0.0° |
| C10 | C15 | C14 | N7 | 179.8° | 179.5° |
| C15 | C10 | N9 | C8 | 0.3° | 0.2° |
| C10 | C15 | N7 | C8 | 0.7° | 0.4° |
| C10 | C15 | N7 | C6 | 178.9° | 179.7° |
| C15 | C10 | C11 | H21 | 179.1° | 179.7° |
| C10 | C15 | C14 | H23 | 179.4° | 179.7° |
| C14 | C15 | N7 | C8 | 179.5° | 179.9° |
| C14 | C15 | N7 | C6 | 0.9° | 0.1° |
| C15 | C14 | C13 | H7 | 179.5° | 180.0° |
| N9 | C8 | N7 | C15 | 0.6° | 0.3° |
| N9 | C8 | N7 | C16 | 178.0° | 179.7° |
| N9 | C8 | N7 | C6 | 179.1° | 179.8° |
| N9 | C8 | C16 | N18 | 53.5° | 5.3° |
| N9 | C8 | C16 | O17 | 129.7° | 174.7° |
| C15 | N7 | C8 | C6 | 179.6° | 179.9° |
| C15 | N7 | C8 | C16 | 178.6° | 180.0° |
| C15 | N7 | C6 | C5 | 74.4° | 90.1° |
| C15 | N7 | C6 | H5 | 45.3° | 150.0° |
| C15 | N7 | C6 | H6 | 165.8° | 30.0° |
| N7 | C15 | C14 | H23 | 0.8° | 0.2° |
| C19 | C20 | C21 | H8 | 120.9° | 120.0° |
| C20 | C19 | N18 | H24 | 121.2° | 120.0° |
| C20 | C19 | N18 | H25 | 121.2° | 120.0° |
| C20 | C19 | N18 | C16 | 58.2° | 82.8° |
| C20 | C19 | N18 | C23 | 126.0° | 97.2° |
| C19 | C20 | C21 | H9 | 60.8° | 64.5° |
| C19 | C20 | C21 | H10 | 59.1° | 175.5° |
| C19 | C20 | C21 | H11 | 179.2° | 55.6° |
| C19 | C20 | C22 | H12 | 180.0° | 60.0° |
| C19 | C20 | C22 | H13 | 60.0° | 180.0° |
| C19 | C20 | C22 | H14 | 60.0° | 60.0° |
| C20 | C19 | H24 | H25 | 116.2° | 120.0° |
| C21 | C20 | C19 | N18 | 71.8° | 66.2° |
| C20 | C21 | H9 | H10 | 120.0° | 120.0° |
| C20 | C21 | H9 | H11 | 120.0° | 120.0° |
| C20 | C21 | H10 | H11 | 120.0° | 119.9° |
| C21 | C20 | C22 | H12 | 57.0° | 180.0° |
| C21 | C20 | C22 | H13 | 63.0° | 60.0° |
| C21 | C20 | C22 | H14 | 177.0° | 60.0° |
| C21 | C20 | C19 | H24 | 167.0° | 173.8° |
| C21 | C20 | C19 | H25 | 49.5° | 53.8° |
| C19 | N18 | C16 | C8 | 4.1° | 3.9° |
| C19 | N18 | C16 | C23 | 175.9° | 180.0° |
| C19 | N18 | C16 | O17 | 179.2° | 176.0° |
| C19 | N18 | C23 | C30 | 64.3° | 125.5° |
| C19 | N18 | C23 | C25 | 58.9° | 114.7° |
| N18 | C19 | C20 | H8 | 49.2° | 53.9° |
| N18 | C19 | H24 | H25 | 116.2° | 120.0° |
| C19 | N18 | C23 | H26 | 177.4° | 5.3° |
| N7 | C8 | C16 | N18 | 124.2° | 175.0° |
| N7 | C8 | C16 | O17 | 52.6° | 5.0° |
| C8 | N7 | C6 | C5 | 105.1° | 90.0° |
| C8 | N7 | C6 | H5 | 135.1° | 29.9° |
| C8 | N7 | C6 | H6 | 14.6° | 149.9° |
| C16 | C8 | N7 | C6 | 1.0° | 0.1° |
| C8 | C16 | N18 | O17 | 176.7° | 180.0° |
| C8 | C16 | N18 | C23 | 180.0° | 176.1° |
| N7 | C6 | C5 | H5 | 119.7° | 119.9° |
| N7 | C6 | C5 | H6 | 119.7° | 120.1° |
| N7 | C6 | C5 | C4 | 173.4° | 179.9° |
| N7 | C6 | C5 | H3 | 66.6° | 60.0° |
| N7 | C6 | C5 | H4 | 53.5° | 59.9° |
| N7 | C6 | H5 | H6 | 120.8° | 120.0° |
| C16 | N18 | C23 | C30 | 111.8° | 54.5° |
| C16 | N18 | C23 | C25 | 125.0° | 65.3° |
| C16 | N18 | C19 | H24 | 63.0° | 37.2° |
| C16 | N18 | C19 | H25 | 179.4° | 157.2° |
| C16 | N18 | C23 | H26 | 6.5° | 174.7° |
| C23 | N18 | C16 | O17 | 3.3° | 4.0° |
| N18 | C23 | C30 | C25 | 122.6° | 119.9° |
| N18 | C23 | C30 | H26 | 118.8° | 120.2° |
| N18 | C23 | C30 | C28 | 171.9° | 177.6° |
| N18 | C23 | C25 | H26 | 119.0° | 120.1° |
| N18 | C23 | C25 | N26 | 172.8° | 179.1° |
| C23 | N18 | C19 | H24 | 112.8° | 142.8° |
| C23 | N18 | C19 | H25 | 4.8° | 22.8° |
| N18 | C23 | C25 | H27 | 52.5° | 59.1° |
| N18 | C23 | C25 | H28 | 66.9° | 60.9° |
| N18 | C23 | C30 | H33 | 68.2° | 57.7° |
| N18 | C23 | C30 | H34 | 51.9° | 62.5° |
| O32 | C31 | C28 | C30 | 23.9° | 24.2° |
| O32 | C31 | C28 | N33 | 179.5° | 179.9° |
| O32 | C31 | N33 | C38 | 0.0° | 175.4° |
| O32 | C31 | C28 | C27 | 97.0° | 95.6° |
| O32 | C31 | N33 | C34 | 179.7° | 4.9° |
| O32 | C31 | C28 | H15 | 143.6° | 144.4° |
| C6 | C5 | C4 | H3 | 120.0° | 120.0° |
| C6 | C5 | C4 | H4 | 119.9° | 120.0° |
| C6 | C5 | C4 | C3 | 162.4° | 180.0° |
| C6 | C5 | C4 | H1 | 77.7° | 60.0° |
| C6 | C5 | C4 | H2 | 42.5° | 60.0° |
| C6 | C5 | H3 | H4 | 120.1° | 120.0° |
| C5 | C6 | H5 | H6 | 120.8° | 120.0° |
| C5 | C4 | C3 | H1 | 119.9° | 119.9° |
| C5 | C4 | C3 | H2 | 119.9° | 120.0° |
| C5 | C4 | C3 | O2 | 172.4° | 180.0° |
| C5 | C4 | H1 | H2 | 120.2° | 120.0° |
| C4 | C5 | H3 | H4 | 120.2° | 120.0° |
| C4 | C5 | C6 | H5 | 53.7° | 60.0° |
| C4 | C5 | C6 | H6 | 66.8° | 60.0° |
| C5 | C4 | C3 | H19 | 67.3° | 60.0° |
| C5 | C4 | C3 | H20 | 52.1° | 60.0° |
| C23 | C30 | C28 | H33 | 120.0° | 119.9° |
| C23 | C30 | C28 | H34 | 120.0° | 119.9° |
| C30 | C23 | C25 | H26 | 118.6° | 120.0° |
| C23 | C30 | C28 | C31 | 179.1° | 177.6° |
| C30 | C23 | C25 | N26 | 50.4° | 59.2° |
| C23 | C30 | C28 | C27 | 58.1° | 57.7° |
| C23 | C30 | C28 | H15 | 60.9° | 62.3° |
| C30 | C23 | C25 | H27 | 69.9° | 60.8° |
| C30 | C23 | C25 | H28 | 170.7° | 179.2° |
| C23 | C30 | H33 | H34 | 120.1° | 120.1° |
| C28 | C30 | C23 | C25 | 49.3° | 57.7° |
| C30 | C28 | C31 | C27 | 120.9° | 119.8° |
| C30 | C28 | C31 | H15 | 119.7° | 120.2° |
| C30 | C28 | C31 | N33 | 155.6° | 155.8° |
| C30 | C28 | C27 | H15 | 119.0° | 120.0° |
| C30 | C28 | C27 | N26 | 66.3° | 59.2° |
| C28 | C30 | C23 | H26 | 69.3° | 62.2° |
| C30 | C28 | C27 | H31 | 174.3° | 179.2° |
| C30 | C28 | C27 | H32 | 53.1° | 60.8° |
| C28 | C30 | H33 | H34 | 120.1° | 120.2° |
| C23 | C25 | N26 | H27 | 120.3° | 120.0° |
| C23 | C25 | N26 | H28 | 120.3° | 120.0° |
| C23 | C25 | N26 | C27 | 60.6° | 61.8° |
| C23 | C25 | H27 | H28 | 119.1° | 119.9° |
| C23 | C25 | N26 | H29 | 179.1° | 174.2° |
| C25 | C23 | C30 | H33 | 169.2° | 62.3° |
| C25 | C23 | C30 | H34 | 70.7° | 177.6° |
| C28 | C31 | N33 | C38 | 179.6° | 4.6° |
| C31 | C28 | C27 | H15 | 119.5° | 120.0° |
| C31 | C28 | C27 | N26 | 172.1° | 179.2° |
| C28 | C31 | N33 | C34 | 0.7° | 175.1° |
| C31 | C28 | C27 | H31 | 52.7° | 60.9° |
| C31 | C28 | C27 | H32 | 68.5° | 59.1° |
| C31 | C28 | C30 | H33 | 60.9° | 57.7° |
| C31 | C28 | C30 | H34 | 59.1° | 62.5° |
| C31 | N33 | C38 | C34 | 179.8° | 179.7° |
| C31 | N33 | C38 | C37 | 125.4° | 129.5° |
| N33 | C31 | C28 | C27 | 83.5° | 84.5° |
| C31 | N33 | C34 | C35 | 124.0° | 129.4° |
| N33 | C31 | C28 | H15 | 35.9° | 35.6° |
| C31 | N33 | C34 | H35 | 4.6° | 110.9° |
| C31 | N33 | C34 | H36 | 116.5° | 9.8° |
| C31 | N33 | C38 | H41 | 114.7° | 9.7° |
| C31 | N33 | C38 | H42 | 5.6° | 110.9° |
| C25 | N26 | C27 | C28 | 67.5° | 61.8° |
| C25 | N26 | C27 | H29 | 120.2° | 124.1° |
| N26 | C25 | C23 | H26 | 68.2° | 60.8° |
| N26 | C25 | H27 | H28 | 119.1° | 120.0° |
| C25 | N26 | C27 | H31 | 173.1° | 178.2° |
| C25 | N26 | C27 | H32 | 51.9° | 58.3° |
| C4 | C3 | O2 | H19 | 120.4° | 119.9° |
| C4 | C3 | O2 | H20 | 120.3° | 120.0° |
| C4 | C3 | O2 | C1 | 75.7° | 180.0° |
| C3 | C4 | H1 | H2 | 120.2° | 120.0° |
| C3 | C4 | C5 | H3 | 42.4° | 60.0° |
| C3 | C4 | C5 | H4 | 77.7° | 60.1° |
| C4 | C3 | H19 | H20 | 119.0° | 120.0° |
| N33 | C38 | C37 | H41 | 119.9° | 119.8° |
| N33 | C38 | C37 | H42 | 119.9° | 119.7° |
| N33 | C38 | C37 | O36 | 52.6° | 52.1° |
| C38 | N33 | C34 | C35 | 55.7° | 50.3° |
| C38 | N33 | C34 | H35 | 175.2° | 69.4° |
| C38 | N33 | C34 | H36 | 63.8° | 170.0° |
| N33 | C38 | C37 | H39 | 172.4° | 172.1° |
| N33 | C38 | C37 | H40 | 67.2° | 67.8° |
| N33 | C38 | H41 | H42 | 120.5° | 120.5° |
| C37 | C38 | N33 | C34 | 54.3° | 50.2° |
| C38 | C37 | O36 | H39 | 119.8° | 120.0° |
| C38 | C37 | O36 | H40 | 119.8° | 119.9° |
| C38 | C37 | O36 | C35 | 62.2° | 62.5° |
| C38 | C37 | H39 | H40 | 120.6° | 120.0° |
| C37 | C38 | H41 | H42 | 120.5° | 120.3° |
| C28 | C27 | N26 | H31 | 119.4° | 120.0° |
| C28 | C27 | N26 | H32 | 119.4° | 120.0° |
| C28 | C27 | N26 | H29 | 172.3° | 174.1° |
| C28 | C27 | H31 | H32 | 121.7° | 120.0° |
| C27 | C28 | C30 | H33 | 178.1° | 62.2° |
| C27 | C28 | C30 | H34 | 61.9° | 177.6° |
| O2 | C3 | C4 | H1 | 52.4° | 60.1° |
| O2 | C3 | C4 | H2 | 67.7° | 60.0° |
| C3 | O2 | C1 | H16 | 180.0° | 60.0° |
| C3 | O2 | C1 | H17 | 60.0° | 60.0° |
| C3 | O2 | C1 | H18 | 60.0° | 180.0° |
| O2 | C3 | H19 | H20 | 119.0° | 120.1° |
| N26 | C27 | C28 | H15 | 52.7° | 60.8° |
| C27 | N26 | C25 | H27 | 59.6° | 58.2° |
| C27 | N26 | C25 | H28 | 179.0° | 178.3° |
| N26 | C27 | H31 | H32 | 121.8° | 120.0° |
| N33 | C34 | C35 | O36 | 56.7° | 52.3° |
| N33 | C34 | C35 | H35 | 119.5° | 119.7° |
| N33 | C34 | C35 | H36 | 119.5° | 119.7° |
| N33 | C34 | H35 | H36 | 121.5° | 120.6° |
| N33 | C34 | C35 | H37 | 176.5° | 172.2° |
| N33 | C34 | C35 | H38 | 63.1° | 67.7° |
| C34 | N33 | C38 | H41 | 65.5° | 170.0° |
| C34 | N33 | C38 | H42 | 174.2° | 69.4° |
| C37 | O36 | C35 | C34 | 65.1° | 62.6° |
| C37 | O36 | C35 | H37 | 175.1° | 177.5° |
| C37 | O36 | C35 | H38 | 54.8° | 57.3° |
| O36 | C37 | H39 | H40 | 120.6° | 120.1° |
| O36 | C37 | C38 | H41 | 67.3° | 171.8° |
| O36 | C37 | C38 | H42 | 172.4° | 67.7° |
| O2 | C1 | H16 | H17 | 120.0° | 120.0° |
| O2 | C1 | H16 | H18 | 120.0° | 120.1° |
| O2 | C1 | H17 | H18 | 120.0° | 120.1° |
| C1 | O2 | C3 | H19 | 44.6° | 60.0° |
| C1 | O2 | C3 | H20 | 164.0° | 60.0° |
| O36 | C35 | C34 | H37 | 119.8° | 119.9° |
| O36 | C35 | C34 | H38 | 119.8° | 119.9° |
| O36 | C35 | C34 | H35 | 176.2° | 67.4° |
| O36 | C35 | C34 | H36 | 62.7° | 172.0° |
| O36 | C35 | H37 | H38 | 120.5° | 120.1° |
| C35 | O36 | C37 | H39 | 178.0° | 177.5° |
| C35 | O36 | C37 | H40 | 57.6° | 57.4° |
| C35 | C34 | H35 | H36 | 121.6° | 120.5° |
| C34 | C35 | H37 | H38 | 120.5° | 120.1° |
| H1 | C4 | C5 | H3 | 162.4° | 60.0° |
| H1 | C4 | C5 | H4 | 42.2° | 180.0° |
| H1 | C4 | C3 | H19 | 172.8° | 180.0° |
| H1 | C4 | C3 | H20 | 67.9° | 60.0° |
| H2 | C4 | C5 | H3 | 77.5° | 180.0° |
| H2 | C4 | C5 | H4 | 162.4° | 59.9° |
| H2 | C4 | C3 | H19 | 52.7° | 60.0° |
| H2 | C4 | C3 | H20 | 172.0° | NaN° |
| H3 | C5 | C6 | H5 | 173.7° | 180.0° |
| H3 | C5 | C6 | H6 | 53.1° | 60.0° |
| H4 | C5 | C6 | H5 | 66.2° | 60.0° |
| H4 | C5 | C6 | H6 | 173.2° | 180.0° |
| H7 | C13 | C12 | H22 | 0.3° | 0.0° |
| H7 | C13 | C14 | H23 | 0.5° | 0.4° |
| H8 | C20 | C21 | H9 | 60.0° | 175.5° |
| H8 | C20 | C21 | H10 | 180.0° | 55.5° |
| H8 | C20 | C21 | H11 | 60.0° | 64.4° |
| H8 | C20 | C22 | H12 | 63.0° | 59.9° |
| H8 | C20 | C22 | H13 | 177.0° | 60.0° |
| H8 | C20 | C22 | H14 | 57.0° | 180.0° |
| H8 | C20 | C19 | H24 | 72.0° | 66.2° |
| H8 | C20 | C19 | H25 | 170.4° | 173.9° |
| H9 | C21 | H10 | H11 | 120.0° | 120.0° |
| H12 | C22 | H13 | H14 | 120.0° | 120.0° |
| H15 | C28 | C27 | H31 | 66.7° | 59.2° |
| H15 | C28 | C27 | H32 | 172.1° | 179.2° |
| H15 | C28 | C30 | H33 | 59.0° | 177.8° |
| H15 | C28 | C30 | H34 | 179.1° | 57.6° |
| H16 | C1 | H17 | H18 | 120.0° | 119.9° |
| H21 | C11 | C12 | H22 | 1.0° | 0.0° |
| H26 | C23 | C25 | H27 | 171.5° | 179.2° |
| H26 | C23 | C25 | H28 | 52.1° | 59.2° |
| H26 | C23 | C30 | H33 | 50.6° | 177.8° |
| H26 | C23 | C30 | H34 | 170.7° | 57.6° |
| H27 | C25 | N26 | H29 | 60.6° | 65.9° |
| H28 | C25 | N26 | H29 | 58.8° | 54.2° |
| H29 | N26 | C27 | H31 | 52.9° | 54.1° |
| H29 | N26 | C27 | H32 | 68.3° | 65.8° |
| H35 | C34 | C35 | H37 | 64.0° | 52.5° |
| H35 | C34 | C35 | H38 | 56.4° | 172.7° |
| H36 | C34 | C35 | H37 | 57.1° | 68.1° |
| H36 | C34 | C35 | H38 | 177.4° | 52.1° |
| H39 | C37 | C38 | H41 | 52.5° | 68.2° |
| H39 | C37 | C38 | H42 | 67.8° | 52.3° |
| H40 | C37 | C38 | H41 | 172.9° | 51.9° |
| H40 | C37 | C38 | H42 | 52.6° | 172.4° |
