3OV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C16 | doub | 1.22Å | 1.22Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | N18 | sing | 1.47Å | 1.53Å | |
| C20 | O21 | sing | 1.43Å | 1.44Å | |
| C16 | N18 | sing | 1.35Å | 1.36Å | |
| C16 | C13 | sing | 1.48Å | 1.47Å | |
| N18 | C23 | sing | 1.47Å | 1.48Å | |
| O21 | C22 | sing | 1.43Å | 1.47Å | |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.54Å | 1.53Å | |
| C11 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | N15 | doub | 1.32Å | 1.35Å | Aromatic |
| C10 | N15 | sing | 1.33Å | 1.29Å | Aromatic |
| C10 | N9 | sing | 1.38Å | 1.36Å | |
| N9 | C2 | sing | 1.40Å | 1.45Å | |
| O8 | C1 | doub | 1.22Å | 1.24Å | |
| C2 | C1 | sing | 1.41Å | 1.39Å | |
| C2 | C3 | doub | 1.37Å | 1.36Å | |
| C1 | N6 | sing | 1.35Å | 1.39Å | |
| C3 | C4 | sing | 1.41Å | 1.46Å | |
| N6 | C7 | sing | 1.47Å | 1.45Å | |
| N6 | C5 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.36Å | 1.36Å | |
| C4 | C24 | sing | 1.48Å | 1.45Å | |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C29 | sing | 1.39Å | 1.44Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.50Å | |
| C29 | C28 | doub | 1.39Å | 1.37Å | Aromatic |
| C30 | O45 | sing | 1.43Å | 1.44Å | |
| C27 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | N31 | sing | 1.40Å | 1.45Å | |
| C32 | N31 | sing | 1.37Å | 1.38Å | |
| C32 | C33 | doub | 1.34Å | 1.35Å | |
| N31 | C34 | sing | 1.35Å | 1.36Å | |
| C33 | C36 | sing | 1.47Å | 1.46Å | |
| C34 | O44 | doub | 1.22Å | 1.24Å | |
| C34 | C35 | sing | 1.46Å | 1.46Å | |
| C36 | C35 | doub | 1.42Å | 1.42Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.42Å | Aromatic |
| C35 | C40 | sing | 1.40Å | 1.38Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | F46 | sing | 1.35Å | 1.38Å | |
| C40 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | N41 | sing | 1.39Å | 1.37Å | |
| C42 | N41 | sing | 1.46Å | 1.49Å | |
| N41 | C43 | sing | 1.46Å | 1.46Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| N9 | H6 | sing | 0.97Å | 1.00Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| C37 | H25 | sing | 1.08Å | 1.08Å | |
| C39 | H26 | sing | 1.08Å | 1.08Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å | |
| C42 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| O45 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C16 | N18 | 122.6° | 120.0° |
| O17 | C16 | C13 | 115.5° | 119.9° |
| C20 | C19 | N18 | 108.7° | 108.4° |
| C19 | C20 | O21 | 109.7° | 109.2° |
| C20 | C19 | H10 | 109.6° | 109.7° |
| C20 | C19 | H11 | 109.7° | 109.7° |
| C19 | C20 | H12 | 109.4° | 109.5° |
| C19 | C20 | H13 | 109.4° | 109.6° |
| C19 | N18 | C16 | 117.6° | 121.0° |
| C19 | N18 | C23 | 118.6° | 118.0° |
| N18 | C19 | H10 | 109.7° | 109.7° |
| N18 | C19 | H11 | 109.6° | 109.7° |
| C20 | O21 | C22 | 113.1° | 114.2° |
| O21 | C20 | H12 | 109.4° | 109.5° |
| O21 | C20 | H13 | 109.4° | 109.5° |
| N18 | C16 | C13 | 121.8° | 120.0° |
| C16 | N18 | C23 | 123.6° | 121.0° |
| C16 | C13 | C12 | 122.2° | 120.5° |
| C16 | C13 | C14 | 120.3° | 120.5° |
| N18 | C23 | C22 | 113.8° | 108.2° |
| N18 | C23 | H16 | 108.4° | 109.7° |
| N18 | C23 | H17 | 108.4° | 109.7° |
| O21 | C22 | C23 | 115.3° | 109.1° |
| O21 | C22 | H14 | 108.0° | 109.5° |
| O21 | C22 | H15 | 108.0° | 109.5° |
| C13 | C12 | C11 | 121.3° | 118.5° |
| C12 | C13 | C14 | 117.4° | 119.0° |
| C13 | C12 | H8 | 119.3° | 120.8° |
| C12 | C11 | C10 | 117.2° | 119.4° |
| C12 | C11 | H7 | 121.4° | 120.3° |
| C11 | C12 | H8 | 119.4° | 120.7° |
| C13 | C14 | N15 | 120.8° | 120.5° |
| C13 | C14 | H9 | 119.6° | 119.7° |
| C23 | C22 | H14 | 108.0° | 109.7° |
| C23 | C22 | H15 | 108.0° | 109.5° |
| C22 | C23 | H16 | 108.4° | 109.8° |
| C22 | C23 | H17 | 108.4° | 109.7° |
| C11 | C10 | N15 | 121.6° | 120.9° |
| C11 | C10 | N9 | 115.4° | 119.5° |
| C10 | C11 | H7 | 121.4° | 120.3° |
| C14 | N15 | C10 | 121.6° | 121.7° |
| N15 | C14 | H9 | 119.6° | 119.8° |
| N15 | C10 | N9 | 123.0° | 119.6° |
| C10 | N9 | C2 | 128.2° | 120.0° |
| C10 | N9 | H6 | 115.9° | 120.0° |
| N9 | C2 | C1 | 111.1° | 120.3° |
| N9 | C2 | C3 | 124.5° | 120.4° |
| C2 | N9 | H6 | 115.9° | 120.0° |
| O8 | C1 | C2 | 126.2° | 119.9° |
| O8 | C1 | N6 | 117.6° | 119.9° |
| C1 | C2 | C3 | 124.4° | 119.3° |
| C2 | C1 | N6 | 116.2° | 120.1° |
| C2 | C3 | C4 | 117.9° | 119.2° |
| C2 | C3 | H1 | 121.1° | 120.4° |
| C1 | N6 | C7 | 115.6° | 119.5° |
| C1 | N6 | C5 | 121.2° | 120.9° |
| C3 | C4 | C5 | 116.8° | 119.8° |
| C3 | C4 | C24 | 120.4° | 120.1° |
| C4 | C3 | H1 | 121.0° | 120.4° |
| C7 | N6 | C5 | 123.0° | 119.6° |
| N6 | C7 | H3 | 109.5° | 109.5° |
| N6 | C7 | H4 | 109.4° | 109.5° |
| N6 | C7 | H5 | 109.5° | 109.5° |
| N6 | C5 | C4 | 123.4° | 120.7° |
| N6 | C5 | H2 | 118.3° | 119.7° |
| C5 | C4 | C24 | 122.8° | 120.1° |
| C4 | C5 | H2 | 118.3° | 119.7° |
| C4 | C24 | C25 | 120.1° | 120.0° |
| C4 | C24 | C29 | 121.9° | 120.1° |
| C24 | C25 | C26 | 124.5° | 120.0° |
| C25 | C24 | C29 | 118.0° | 119.8° |
| C24 | C25 | H18 | 117.7° | 120.0° |
| C25 | C26 | C27 | 117.2° | 120.2° |
| C26 | C25 | H18 | 117.7° | 120.0° |
| C25 | C26 | H19 | 121.4° | 119.9° |
| C24 | C29 | C30 | 122.0° | 120.1° |
| C24 | C29 | C28 | 116.6° | 119.8° |
| C26 | C27 | C28 | 118.8° | 120.2° |
| C27 | C26 | H19 | 121.4° | 119.9° |
| C26 | C27 | H20 | 120.6° | 119.9° |
| C30 | C29 | C28 | 121.3° | 120.1° |
| C29 | C30 | O45 | 109.4° | 109.5° |
| C29 | C30 | H21 | 109.5° | 109.5° |
| C29 | C30 | H22 | 109.5° | 109.4° |
| C29 | C28 | C27 | 124.8° | 120.0° |
| C29 | C28 | N31 | 117.2° | 120.0° |
| O45 | C30 | H21 | 109.5° | 109.5° |
| O45 | C30 | H22 | 109.5° | 109.5° |
| C30 | O45 | H33 | 109.5° | 113.9° |
| C27 | C28 | N31 | 117.8° | 120.0° |
| C28 | C27 | H20 | 120.6° | 119.9° |
| C28 | N31 | C32 | 118.8° | 118.8° |
| C28 | N31 | C34 | 117.2° | 118.9° |
| N31 | C32 | C33 | 123.0° | 122.3° |
| C32 | N31 | C34 | 123.1° | 122.2° |
| N31 | C32 | H23 | 118.5° | 118.8° |
| C32 | C33 | C36 | 117.4° | 119.4° |
| C33 | C32 | H23 | 118.5° | 118.9° |
| C32 | C33 | H24 | 121.3° | 120.3° |
| N31 | C34 | O44 | 121.6° | 120.3° |
| N31 | C34 | C35 | 117.3° | 119.3° |
| C33 | C36 | C35 | 119.9° | 118.3° |
| C33 | C36 | C37 | 118.4° | 121.8° |
| C36 | C33 | H24 | 121.3° | 120.3° |
| O44 | C34 | C35 | 121.0° | 120.3° |
| C34 | C35 | C36 | 119.1° | 118.4° |
| C34 | C35 | C40 | 126.7° | 121.9° |
| C35 | C36 | C37 | 121.6° | 119.8° |
| C36 | C35 | C40 | 113.9° | 119.8° |
| C36 | C37 | C38 | 120.0° | 119.6° |
| C36 | C37 | H25 | 120.0° | 120.3° |
| C35 | C40 | F46 | 117.5° | 120.2° |
| C35 | C40 | C39 | 127.3° | 119.6° |
| C37 | C38 | C39 | 120.0° | 120.6° |
| C37 | C38 | N41 | 120.8° | 119.7° |
| C38 | C37 | H25 | 120.0° | 120.2° |
| F46 | C40 | C39 | 115.1° | 120.2° |
| C40 | C39 | C38 | 116.9° | 120.6° |
| C40 | C39 | H26 | 121.5° | 119.7° |
| C39 | C38 | N41 | 119.2° | 119.7° |
| C38 | C39 | H26 | 121.5° | 119.7° |
| C38 | N41 | C42 | 120.0° | 120.0° |
| C38 | N41 | C43 | 120.3° | 120.0° |
| C42 | N41 | C43 | 119.1° | 120.0° |
| N41 | C42 | H27 | 109.5° | 109.5° |
| N41 | C42 | H28 | 109.5° | 109.5° |
| N41 | C42 | H29 | 109.4° | 109.5° |
| N41 | C43 | H30 | 109.5° | 109.5° |
| N41 | C43 | H31 | 109.5° | 109.5° |
| N41 | C43 | H32 | 109.4° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H3 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.4° | 109.4° |
| H10 | C19 | H11 | 109.5° | 109.7° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.6° |
| H16 | C23 | H17 | 109.4° | 109.7° |
| H21 | C30 | H22 | 109.5° | 109.5° |
| H27 | C42 | H28 | 109.4° | 109.4° |
| H27 | C42 | H29 | 109.5° | 109.5° |
| H28 | C42 | H29 | 109.5° | 109.4° |
| H30 | C43 | H31 | 109.5° | 109.5° |
| H30 | C43 | H32 | 109.4° | 109.5° |
| H31 | C43 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C16 | N18 | C19 | 0.9° | 4.2° |
| O17 | C16 | N18 | C13 | 177.2° | 180.0° |
| O17 | C16 | N18 | C23 | 175.6° | 175.6° |
| O17 | C16 | C13 | C12 | 52.3° | 134.9° |
| O17 | C16 | C13 | C14 | 124.2° | 45.1° |
| C20 | C19 | N18 | H10 | 119.8° | 119.7° |
| C20 | C19 | N18 | H11 | 119.9° | 119.8° |
| C19 | C20 | O21 | H12 | 120.0° | 119.9° |
| C19 | C20 | O21 | H13 | 120.0° | 120.0° |
| C20 | C19 | N18 | C16 | 140.1° | 129.5° |
| C20 | C19 | N18 | C23 | 44.9° | 50.8° |
| C19 | C20 | O21 | C22 | 63.2° | 62.6° |
| C20 | C19 | H10 | H11 | 120.4° | 120.5° |
| C19 | C20 | H12 | H13 | 119.9° | 120.2° |
| N18 | C19 | C20 | O21 | 58.5° | 52.3° |
| C19 | N18 | C16 | C23 | 174.7° | 179.8° |
| C19 | N18 | C16 | C13 | 176.3° | 175.8° |
| C19 | N18 | C23 | C22 | 32.5° | 50.8° |
| N18 | C19 | H10 | H11 | 120.4° | 120.5° |
| N18 | C19 | C20 | H12 | 178.5° | 67.6° |
| N18 | C19 | C20 | H13 | 61.5° | 172.2° |
| C19 | N18 | C23 | H16 | 153.2° | 68.9° |
| C19 | N18 | C23 | H17 | 88.1° | 170.5° |
| C20 | O21 | C22 | C23 | 50.1° | 62.7° |
| O21 | C20 | C19 | H10 | 178.4° | 172.0° |
| O21 | C20 | C19 | H11 | 61.3° | 67.4° |
| O21 | C20 | H12 | H13 | 119.9° | 120.1° |
| C20 | O21 | C22 | H14 | 171.0° | 57.3° |
| C20 | O21 | C22 | H15 | 70.7° | 177.5° |
| N18 | C16 | C13 | C12 | 125.1° | 45.1° |
| N18 | C16 | C13 | C14 | 58.4° | 134.9° |
| C16 | N18 | C23 | C22 | 152.8° | 129.4° |
| C16 | N18 | C19 | H10 | 20.3° | 9.7° |
| C16 | N18 | C19 | H11 | 100.0° | 110.8° |
| C16 | N18 | C23 | H16 | 32.1° | 110.8° |
| C16 | N18 | C23 | H17 | 86.6° | 9.8° |
| C13 | C16 | N18 | C23 | 1.5° | 4.4° |
| C16 | C13 | C12 | C14 | 176.6° | 180.0° |
| C16 | C13 | C12 | C11 | 179.5° | 180.0° |
| C16 | C13 | C14 | N15 | 179.4° | 180.0° |
| C16 | C13 | C12 | H8 | 0.5° | 0.0° |
| C16 | C13 | C14 | H9 | 0.6° | 0.0° |
| N18 | C23 | C22 | O21 | 33.1° | 52.6° |
| N18 | C23 | C22 | H16 | 120.7° | 119.7° |
| N18 | C23 | C22 | H17 | 120.6° | 119.6° |
| C23 | N18 | C19 | H10 | 164.7° | 170.5° |
| C23 | N18 | C19 | H11 | 75.0° | 69.0° |
| N18 | C23 | C22 | H14 | 154.0° | 67.4° |
| N18 | C23 | C22 | H15 | 87.8° | 172.3° |
| N18 | C23 | H16 | H17 | 118.0° | 120.5° |
| O21 | C22 | C23 | H14 | 120.9° | 120.0° |
| O21 | C22 | C23 | H15 | 120.9° | 119.8° |
| C22 | O21 | C20 | H12 | 176.8° | 57.3° |
| C22 | O21 | C20 | H13 | 56.9° | 177.4° |
| O21 | C22 | H14 | H15 | 117.3° | 120.1° |
| O21 | C22 | C23 | H16 | 153.8° | 67.1° |
| O21 | C22 | C23 | H17 | 87.5° | 172.2° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 3.6° | 0.0° |
| C12 | C13 | C14 | N15 | 2.7° | 0.0° |
| C13 | C12 | C11 | H7 | 176.3° | 180.0° |
| C12 | C13 | C14 | H9 | 177.3° | 180.0° |
| C11 | C12 | C13 | C14 | 3.9° | 0.0° |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| C12 | C11 | C10 | N15 | 2.3° | 0.0° |
| C12 | C11 | C10 | N9 | 180.0° | 179.7° |
| C13 | C14 | N15 | H9 | 180.0° | 180.0° |
| C13 | C14 | N15 | C10 | 1.5° | 0.0° |
| C14 | C13 | C12 | H8 | 176.2° | 180.0° |
| C23 | C22 | H14 | H15 | 117.3° | 120.2° |
| C22 | C23 | H16 | H17 | 118.0° | 120.7° |
| C11 | C10 | N15 | C14 | 1.3° | 0.0° |
| C11 | C10 | N15 | N9 | 177.5° | 179.7° |
| C11 | C10 | N9 | C2 | 173.9° | 6.4° |
| C11 | C10 | N9 | H6 | 6.1° | 173.6° |
| C10 | C11 | C12 | H8 | 176.4° | 180.0° |
| C14 | N15 | C10 | N9 | 178.8° | 179.7° |
| N15 | C10 | N9 | C2 | 3.7° | 173.8° |
| N15 | C10 | N9 | H6 | 176.3° | 6.1° |
| N15 | C10 | C11 | H7 | 177.7° | 180.0° |
| C10 | N15 | C14 | H9 | 178.5° | 180.0° |
| C10 | N9 | C2 | H6 | 180.0° | 180.0° |
| C10 | N9 | C2 | C1 | 174.4° | 59.2° |
| C10 | N9 | C2 | C3 | 4.5° | 120.8° |
| N9 | C10 | C11 | H7 | 0.0° | 0.3° |
| N9 | C2 | C1 | O8 | 0.2° | 0.3° |
| N9 | C2 | C1 | C3 | 179.0° | 180.0° |
| N9 | C2 | C1 | N6 | 178.9° | 180.0° |
| N9 | C2 | C3 | C4 | 178.0° | 180.0° |
| N9 | C2 | C3 | H1 | 2.0° | 0.0° |
| O8 | C1 | C2 | N6 | 179.2° | 179.8° |
| O8 | C1 | C2 | C3 | 179.2° | 179.7° |
| O8 | C1 | N6 | C7 | 4.2° | 0.3° |
| O8 | C1 | N6 | C5 | 179.3° | 179.7° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | C1 | N6 | C7 | 176.6° | 180.0° |
| C2 | C1 | N6 | C5 | 0.0° | 0.1° |
| C1 | C2 | C3 | H1 | 179.2° | 180.0° |
| C1 | C2 | N9 | H6 | 5.5° | 120.8° |
| C3 | C2 | C1 | N6 | 0.0° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.6° | 0.1° |
| C2 | C3 | C4 | C24 | 177.9° | 180.0° |
| C3 | C2 | N9 | H6 | 175.5° | 59.2° |
| C1 | N6 | C7 | C5 | 176.5° | 180.0° |
| C1 | N6 | C5 | C4 | 0.9° | 0.1° |
| C1 | N6 | C5 | H2 | 179.1° | 180.0° |
| C1 | N6 | C7 | H3 | 180.0° | 0.0° |
| C1 | N6 | C7 | H4 | 60.0° | 120.0° |
| C1 | N6 | C7 | H5 | 60.0° | 120.0° |
| C3 | C4 | C5 | N6 | 1.7° | 0.1° |
| C3 | C4 | C5 | C24 | 179.5° | 179.9° |
| C3 | C4 | C24 | C25 | 47.0° | 104.8° |
| C3 | C4 | C24 | C29 | 134.3° | 74.9° |
| C3 | C4 | C5 | H2 | 178.3° | 180.0° |
| C7 | N6 | C5 | C4 | 177.2° | 180.0° |
| C7 | N6 | C5 | H2 | 2.8° | 0.1° |
| N6 | C7 | H3 | H4 | 120.0° | 120.0° |
| N6 | C7 | H3 | H5 | 120.0° | 120.0° |
| N6 | C7 | H4 | H5 | 120.0° | 120.0° |
| N6 | C5 | C4 | H2 | 180.0° | 179.9° |
| N6 | C5 | C4 | C24 | 177.9° | 180.0° |
| C5 | N6 | C7 | H3 | 3.5° | 180.0° |
| C5 | N6 | C7 | H4 | 116.5° | 60.0° |
| C5 | N6 | C7 | H5 | 123.5° | 60.0° |
| C5 | C4 | C24 | C25 | 132.5° | 75.3° |
| C5 | C4 | C24 | C29 | 46.2° | 105.0° |
| C5 | C4 | C3 | H1 | 178.4° | 180.0° |
| C4 | C24 | C25 | C29 | 178.8° | 179.7° |
| C4 | C24 | C25 | C26 | 179.4° | 180.0° |
| C4 | C24 | C29 | C30 | 6.2° | 0.0° |
| C4 | C24 | C29 | C28 | 176.5° | 179.7° |
| C24 | C4 | C3 | H1 | 2.0° | 0.1° |
| C24 | C4 | C5 | H2 | 2.1° | 0.1° |
| C4 | C24 | C25 | H18 | 0.5° | 0.0° |
| C24 | C25 | C26 | H18 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 1.7° | 0.0° |
| C25 | C24 | C29 | C30 | 175.0° | 179.8° |
| C25 | C24 | C29 | C28 | 2.2° | 0.6° |
| C24 | C25 | C26 | H19 | 178.3° | 180.0° |
| C26 | C25 | C24 | C29 | 0.7° | 0.3° |
| C25 | C26 | C27 | H19 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.3° | 0.0° |
| C25 | C26 | C27 | H20 | 179.7° | 180.0° |
| C24 | C29 | C30 | C28 | 177.1° | 179.6° |
| C24 | C29 | C30 | O45 | 101.7° | 90.0° |
| C24 | C29 | C28 | C27 | 4.4° | 0.6° |
| C24 | C29 | C28 | N31 | 178.9° | 179.7° |
| C29 | C24 | C25 | H18 | 179.3° | 179.7° |
| C24 | C29 | C30 | H21 | 138.3° | 150.0° |
| C24 | C29 | C30 | H22 | 18.3° | 30.0° |
| C26 | C27 | C28 | C29 | 3.4° | 0.4° |
| C26 | C27 | C28 | H20 | 180.0° | 180.0° |
| C26 | C27 | C28 | N31 | 178.0° | 180.0° |
| C27 | C26 | C25 | H18 | 178.3° | 180.0° |
| C29 | C30 | O45 | H21 | 120.0° | 120.0° |
| C29 | C30 | O45 | H22 | 120.0° | 120.0° |
| C30 | C29 | C28 | C27 | 172.9° | 179.7° |
| C30 | C29 | C28 | N31 | 1.7° | 0.0° |
| C29 | C30 | H21 | H22 | 120.0° | 120.0° |
| C29 | C30 | O45 | H33 | 180.0° | 179.9° |
| C28 | C29 | C30 | O45 | 81.2° | 89.6° |
| C29 | C28 | C27 | N31 | 174.5° | 179.7° |
| C29 | C28 | N31 | C32 | 75.6° | 90.5° |
| C29 | C28 | N31 | C34 | 93.9° | 89.7° |
| C29 | C28 | C27 | H20 | 176.5° | 179.7° |
| C28 | C29 | C30 | H21 | 38.8° | 30.4° |
| C28 | C29 | C30 | H22 | 158.9° | 150.3° |
| O45 | C30 | H21 | H22 | 120.1° | 120.1° |
| C27 | C28 | N31 | C32 | 99.4° | 89.8° |
| C27 | C28 | N31 | C34 | 91.1° | 90.0° |
| C28 | C27 | C26 | H19 | 179.7° | 180.0° |
| C28 | N31 | C32 | C34 | 168.9° | 179.8° |
| C28 | N31 | C32 | C33 | 169.5° | 180.0° |
| C28 | N31 | C34 | O44 | 7.7° | 0.1° |
| C28 | N31 | C34 | C35 | 171.3° | 180.0° |
| N31 | C28 | C27 | H20 | 2.0° | 0.0° |
| C28 | N31 | C32 | H23 | 10.5° | 0.1° |
| N31 | C32 | C33 | H23 | 180.0° | 179.9° |
| N31 | C32 | C33 | C36 | 1.6° | 0.0° |
| C32 | N31 | C34 | O44 | 176.8° | 179.7° |
| C32 | N31 | C34 | C35 | 2.2° | 0.2° |
| N31 | C32 | C33 | H24 | 178.4° | 180.0° |
| C33 | C32 | N31 | C34 | 0.7° | 0.2° |
| C32 | C33 | C36 | H24 | 180.0° | 179.9° |
| C32 | C33 | C36 | C35 | 4.2° | 0.3° |
| C32 | C33 | C36 | C37 | 177.0° | 180.0° |
| N31 | C34 | O44 | C35 | 179.0° | 180.0° |
| N31 | C34 | C35 | C36 | 4.8° | 0.0° |
| N31 | C34 | C35 | C40 | 177.8° | 179.9° |
| C34 | N31 | C32 | H23 | 179.3° | 179.7° |
| C33 | C36 | C35 | C34 | 5.8° | 0.2° |
| C33 | C36 | C35 | C37 | 178.8° | 179.8° |
| C33 | C36 | C35 | C40 | 179.7° | 179.7° |
| C33 | C36 | C37 | C38 | 179.2° | 179.9° |
| C36 | C33 | C32 | H23 | 178.4° | 180.0° |
| C33 | C36 | C37 | H25 | 0.8° | 0.0° |
| O44 | C34 | C35 | C36 | 174.2° | 179.9° |
| O44 | C34 | C35 | C40 | 1.2° | 0.0° |
| C34 | C35 | C36 | C40 | 173.9° | 179.9° |
| C34 | C35 | C36 | C37 | 175.4° | 180.0° |
| C34 | C35 | C40 | F46 | 3.7° | 0.1° |
| C34 | C35 | C40 | C39 | 177.8° | 179.4° |
| C35 | C36 | C37 | C38 | 0.4° | 0.2° |
| C36 | C35 | C40 | F46 | 177.1° | 180.0° |
| C36 | C35 | C40 | C39 | 4.4° | 0.7° |
| C35 | C36 | C33 | H24 | 175.8° | 179.8° |
| C35 | C36 | C37 | H25 | 179.6° | 179.8° |
| C37 | C36 | C35 | C40 | 1.5° | 0.1° |
| C36 | C37 | C38 | H25 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 1.6° | 0.1° |
| C36 | C37 | C38 | N41 | 178.6° | 180.0° |
| C37 | C36 | C33 | H24 | 3.0° | 0.0° |
| C35 | C40 | F46 | C39 | 178.7° | 179.4° |
| C35 | C40 | C39 | C38 | 5.7° | 0.9° |
| C35 | C40 | C39 | H26 | 174.3° | 179.7° |
| C37 | C38 | C39 | C40 | 4.0° | 0.6° |
| C37 | C38 | C39 | N41 | 179.8° | 179.9° |
| C37 | C38 | N41 | C42 | 16.2° | 180.0° |
| C37 | C38 | N41 | C43 | 155.0° | 0.1° |
| C37 | C38 | C39 | H26 | 176.0° | 179.9° |
| F46 | C40 | C39 | C38 | 175.7° | 179.7° |
| F46 | C40 | C39 | H26 | 4.3° | 0.3° |
| C40 | C39 | C38 | H26 | 180.0° | 179.4° |
| C40 | C39 | C38 | N41 | 176.2° | 179.5° |
| C39 | C38 | N41 | C42 | 164.0° | 0.0° |
| C39 | C38 | N41 | C43 | 24.8° | 180.0° |
| C39 | C38 | C37 | H25 | 178.3° | 180.0° |
| C38 | N41 | C42 | C43 | 171.3° | 180.0° |
| N41 | C38 | C37 | H25 | 1.5° | 0.1° |
| N41 | C38 | C39 | H26 | 3.8° | 0.0° |
| C38 | N41 | C42 | H27 | 180.0° | 90.0° |
| C38 | N41 | C42 | H28 | 60.0° | 150.0° |
| C38 | N41 | C42 | H29 | 60.0° | 30.0° |
| C38 | N41 | C43 | H30 | 180.0° | 90.0° |
| C38 | N41 | C43 | H31 | 60.0° | 150.0° |
| C38 | N41 | C43 | H32 | 60.0° | 30.0° |
| N41 | C42 | H27 | H28 | 120.0° | 120.0° |
| N41 | C42 | H27 | H29 | 120.0° | 120.1° |
| N41 | C42 | H28 | H29 | 120.0° | 120.1° |
| C42 | N41 | C43 | H30 | 8.7° | 90.0° |
| C42 | N41 | C43 | H31 | 128.7° | 30.0° |
| C42 | N41 | C43 | H32 | 111.2° | 150.0° |
| C43 | N41 | C42 | H27 | 8.7° | 90.0° |
| C43 | N41 | C42 | H28 | 111.3° | 30.0° |
| C43 | N41 | C42 | H29 | 128.7° | 150.0° |
| N41 | C43 | H30 | H31 | 120.0° | 120.0° |
| N41 | C43 | H30 | H32 | 120.0° | 120.0° |
| N41 | C43 | H31 | H32 | 120.0° | 120.0° |
| H3 | C7 | H4 | H5 | 120.0° | 120.0° |
| H7 | C11 | C12 | H8 | 3.6° | 0.0° |
| H10 | C19 | C20 | H12 | 61.6° | 52.1° |
| H10 | C19 | C20 | H13 | 58.4° | 68.0° |
| H11 | C19 | C20 | H12 | 58.7° | 172.7° |
| H11 | C19 | C20 | H13 | 178.6° | 52.5° |
| H14 | C22 | C23 | H16 | 85.4° | 172.9° |
| H14 | C22 | C23 | H17 | 33.3° | 52.2° |
| H15 | C22 | C23 | H16 | 32.9° | 52.7° |
| H15 | C22 | C23 | H17 | 151.6° | 68.0° |
| H18 | C25 | C26 | H19 | 1.7° | 0.0° |
| H19 | C26 | C27 | H20 | 0.3° | 0.0° |
| H21 | C30 | O45 | H33 | 60.0° | 60.1° |
| H22 | C30 | O45 | H33 | 60.0° | 60.0° |
| H23 | C32 | C33 | H24 | 1.6° | 0.1° |
| H27 | C42 | H28 | H29 | 120.0° | 119.9° |
| H30 | C43 | H31 | H32 | 120.0° | 120.0° |
