3OU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | O21 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| O21 | C22 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C19 | N18 | sing | 1.47Å | 1.50Å | |
| C23 | N18 | sing | 1.47Å | 1.50Å | |
| N18 | C16 | sing | 1.35Å | 1.37Å | |
| C16 | O17 | doub | 1.22Å | 1.21Å | |
| C16 | C13 | sing | 1.48Å | 1.50Å | |
| C12 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | N15 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | N15 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | N9 | sing | 1.39Å | 1.38Å | |
| N9 | C2 | sing | 1.40Å | 1.42Å | |
| O8 | C1 | doub | 1.22Å | 1.23Å | |
| C2 | C1 | sing | 1.41Å | 1.43Å | |
| C2 | C3 | doub | 1.37Å | 1.36Å | |
| C1 | N6 | sing | 1.35Å | 1.36Å | |
| C3 | C4 | sing | 1.41Å | 1.43Å | |
| N6 | C7 | sing | 1.47Å | 1.50Å | |
| N6 | C5 | sing | 1.36Å | 1.35Å | |
| C4 | C5 | doub | 1.36Å | 1.39Å | |
| C4 | C24 | sing | 1.48Å | 1.49Å | |
| C25 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C29 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | O45 | sing | 1.43Å | 1.45Å | |
| C27 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | N31 | sing | 1.40Å | 1.43Å | |
| C32 | N31 | sing | 1.46Å | 1.49Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| N31 | C34 | sing | 1.35Å | 1.36Å | |
| C33 | C36 | sing | 1.51Å | 1.49Å | |
| C34 | O44 | doub | 1.22Å | 1.25Å | |
| C34 | C35 | sing | 1.48Å | 1.49Å | |
| C36 | C35 | doub | 1.40Å | 1.43Å | Aromatic |
| C36 | C37 | sing | 1.37Å | 1.39Å | Aromatic |
| C35 | C40 | sing | 1.40Å | 1.41Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.43Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.42Å | Aromatic |
| C38 | N41 | sing | 1.39Å | 1.42Å | |
| C42 | N41 | sing | 1.47Å | 1.50Å | |
| N41 | C43 | sing | 1.47Å | 1.45Å | |
| 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 | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C39 | H28 | sing | 1.08Å | 1.08Å | |
| C40 | H29 | sing | 1.08Å | 1.08Å | |
| C42 | H30 | sing | 1.09Å | 1.10Å | |
| C42 | H31 | sing | 1.09Å | 1.10Å | |
| C42 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| C43 | H34 | sing | 1.09Å | 1.10Å | |
| C43 | H35 | sing | 1.09Å | 1.10Å | |
| O45 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C20 | C19 | 108.3° | 109.3° |
| C20 | O21 | C22 | 107.5° | 114.2° |
| O21 | C20 | H12 | 109.8° | 109.5° |
| O21 | C20 | H13 | 109.8° | 109.5° |
| C20 | C19 | N18 | 112.7° | 108.4° |
| C20 | C19 | H10 | 108.7° | 109.7° |
| C20 | C19 | H11 | 108.7° | 109.7° |
| C19 | C20 | H12 | 109.8° | 109.5° |
| C19 | C20 | H13 | 109.8° | 109.5° |
| O21 | C22 | C23 | 108.4° | 109.3° |
| O21 | C22 | H14 | 109.7° | 109.6° |
| O21 | C22 | H15 | 109.8° | 109.5° |
| C22 | C23 | N18 | 115.1° | 108.6° |
| C23 | C22 | H14 | 109.7° | 109.6° |
| C23 | C22 | H15 | 109.7° | 109.3° |
| C22 | C23 | H16 | 108.1° | 109.7° |
| C22 | C23 | H17 | 108.0° | 109.6° |
| C19 | N18 | C23 | 119.9° | 118.0° |
| C19 | N18 | C16 | 119.1° | 121.0° |
| N18 | C19 | H10 | 108.6° | 109.7° |
| N18 | C19 | H11 | 108.7° | 109.7° |
| C23 | N18 | C16 | 121.1° | 121.0° |
| N18 | C23 | H16 | 108.0° | 109.8° |
| N18 | C23 | H17 | 108.1° | 109.4° |
| N18 | C16 | O17 | 119.8° | 120.0° |
| N18 | C16 | C13 | 121.7° | 120.0° |
| O17 | C16 | C13 | 118.3° | 120.0° |
| C16 | C13 | C12 | 122.9° | 120.4° |
| C16 | C13 | C14 | 117.1° | 120.5° |
| C13 | C12 | C11 | 118.0° | 118.5° |
| C12 | C13 | C14 | 120.0° | 119.1° |
| C13 | C12 | H8 | 121.0° | 120.8° |
| C12 | C11 | C10 | 118.9° | 119.4° |
| C12 | C11 | H7 | 120.6° | 120.3° |
| C11 | C12 | H8 | 121.0° | 120.7° |
| C13 | C14 | N15 | 120.4° | 120.5° |
| C13 | C14 | H9 | 119.8° | 119.7° |
| C11 | C10 | N15 | 122.6° | 120.9° |
| C11 | C10 | N9 | 119.4° | 119.5° |
| C10 | C11 | H7 | 120.6° | 120.3° |
| C14 | N15 | C10 | 120.1° | 121.6° |
| N15 | C14 | H9 | 119.8° | 119.8° |
| N15 | C10 | N9 | 118.0° | 119.6° |
| C10 | N9 | C2 | 131.1° | 120.0° |
| C10 | N9 | H6 | 114.4° | 120.0° |
| N9 | C2 | C1 | 115.4° | 120.3° |
| N9 | C2 | C3 | 126.6° | 120.3° |
| C2 | N9 | H6 | 114.4° | 120.1° |
| O8 | C1 | C2 | 116.0° | 120.0° |
| O8 | C1 | N6 | 121.5° | 119.8° |
| C1 | C2 | C3 | 118.0° | 119.3° |
| C2 | C1 | N6 | 122.5° | 120.2° |
| C2 | C3 | C4 | 118.7° | 119.1° |
| C2 | C3 | H1 | 120.7° | 120.4° |
| C1 | N6 | C7 | 119.5° | 119.6° |
| C1 | N6 | C5 | 119.9° | 120.9° |
| C3 | C4 | C5 | 121.3° | 119.8° |
| C3 | C4 | C24 | 118.4° | 120.1° |
| C4 | C3 | H1 | 120.7° | 120.5° |
| C7 | N6 | C5 | 120.7° | 119.5° |
| N6 | C7 | H3 | 109.5° | 109.4° |
| N6 | C7 | H4 | 109.4° | 109.4° |
| N6 | C7 | H5 | 109.5° | 109.4° |
| N6 | C5 | C4 | 119.6° | 120.6° |
| N6 | C5 | H2 | 120.2° | 119.6° |
| C5 | C4 | C24 | 120.3° | 120.1° |
| C4 | C5 | H2 | 120.2° | 119.7° |
| C4 | C24 | C25 | 116.3° | 120.0° |
| C4 | C24 | C29 | 125.5° | 120.1° |
| C24 | C25 | C26 | 122.0° | 120.0° |
| C25 | C24 | C29 | 118.2° | 119.9° |
| C24 | C25 | H18 | 119.0° | 120.0° |
| C25 | C26 | C27 | 119.5° | 120.2° |
| C26 | C25 | H18 | 119.0° | 120.0° |
| C25 | C26 | H19 | 120.2° | 119.9° |
| C24 | C29 | C30 | 117.3° | 120.2° |
| C24 | C29 | C28 | 119.7° | 119.8° |
| C26 | C27 | C28 | 119.0° | 120.2° |
| C27 | C26 | H19 | 120.3° | 119.9° |
| C26 | C27 | H20 | 120.5° | 119.9° |
| C30 | C29 | C28 | 122.7° | 120.1° |
| C29 | C30 | O45 | 112.6° | 109.5° |
| C29 | C30 | H21 | 108.7° | 109.5° |
| C29 | C30 | H22 | 108.7° | 109.4° |
| C29 | C28 | C27 | 121.4° | 120.0° |
| C29 | C28 | N31 | 116.9° | 120.0° |
| O45 | C30 | H21 | 108.7° | 109.5° |
| O45 | C30 | H22 | 108.7° | 109.5° |
| C30 | O45 | H36 | 109.5° | 114.0° |
| C27 | C28 | N31 | 121.5° | 120.0° |
| C28 | C27 | H20 | 120.5° | 119.9° |
| C28 | N31 | C32 | 116.9° | 119.5° |
| C28 | N31 | C34 | 120.0° | 119.5° |
| N31 | C32 | C33 | 109.5° | 110.9° |
| C32 | N31 | C34 | 123.1° | 121.0° |
| N31 | C32 | H23 | 109.5° | 109.2° |
| N31 | C32 | H24 | 109.4° | 109.2° |
| C32 | C33 | C36 | 113.6° | 110.1° |
| C33 | C32 | H23 | 109.4° | 109.2° |
| C33 | C32 | H24 | 109.5° | 109.2° |
| C32 | C33 | H25 | 108.5° | 109.4° |
| C32 | C33 | H26 | 108.4° | 109.4° |
| N31 | C34 | O44 | 122.7° | 120.3° |
| N31 | C34 | C35 | 118.4° | 119.4° |
| C33 | C36 | C35 | 119.9° | 119.4° |
| C33 | C36 | C37 | 120.7° | 120.7° |
| C36 | C33 | H25 | 108.4° | 109.3° |
| C36 | C33 | H26 | 108.4° | 109.3° |
| O44 | C34 | C35 | 118.6° | 120.3° |
| C34 | C35 | C36 | 118.0° | 119.0° |
| C34 | C35 | C40 | 120.8° | 121.0° |
| C35 | C36 | C37 | 119.4° | 119.9° |
| C36 | C35 | C40 | 120.7° | 120.0° |
| C36 | C37 | C38 | 119.4° | 120.0° |
| C36 | C37 | H27 | 120.3° | 120.0° |
| C35 | C40 | C39 | 120.0° | 119.9° |
| C35 | C40 | H29 | 120.0° | 120.1° |
| C37 | C38 | C39 | 120.9° | 120.2° |
| C37 | C38 | N41 | 121.0° | 119.9° |
| C38 | C37 | H27 | 120.3° | 120.0° |
| C40 | C39 | C38 | 119.3° | 120.0° |
| C40 | C39 | H28 | 120.3° | 120.0° |
| C39 | C40 | H29 | 120.0° | 120.0° |
| C39 | C38 | N41 | 117.9° | 119.9° |
| C38 | C39 | H28 | 120.4° | 120.0° |
| C38 | N41 | C42 | 120.2° | 120.1° |
| C38 | N41 | C43 | 122.2° | 120.0° |
| C42 | N41 | C43 | 117.6° | 120.0° |
| N41 | C42 | H30 | 109.5° | 109.5° |
| N41 | C42 | H31 | 109.5° | 109.5° |
| N41 | C42 | H32 | 109.5° | 109.4° |
| N41 | C43 | H33 | 109.5° | 109.5° |
| N41 | C43 | H34 | 109.5° | 109.5° |
| N41 | C43 | H35 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.6° |
| H3 | C7 | H5 | 109.4° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.7° |
| H12 | C20 | H13 | 109.4° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.6° |
| H16 | C23 | H17 | 109.5° | 109.8° |
| H21 | C30 | H22 | 109.5° | 109.4° |
| H23 | C32 | H24 | 109.5° | 109.1° |
| H25 | C33 | H26 | 109.5° | 109.3° |
| H30 | C42 | H31 | 109.5° | 109.5° |
| H30 | C42 | H32 | 109.5° | 109.4° |
| H31 | C42 | H32 | 109.5° | 109.5° |
| H33 | C43 | H34 | 109.5° | 109.5° |
| H33 | C43 | H35 | 109.5° | 109.4° |
| H34 | C43 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C20 | C19 | H12 | 119.8° | 120.0° |
| O21 | C20 | C19 | H13 | 119.8° | 120.0° |
| C20 | O21 | C22 | C23 | 71.3° | 62.4° |
| O21 | C20 | C19 | N18 | 44.6° | 52.3° |
| O21 | C20 | C19 | H10 | 165.1° | 67.4° |
| O21 | C20 | C19 | H11 | 75.9° | 172.0° |
| O21 | C20 | H12 | H13 | 120.5° | 120.1° |
| C20 | O21 | C22 | H14 | 168.8° | 177.5° |
| C20 | O21 | C22 | H15 | 48.5° | 57.3° |
| C19 | C20 | O21 | C22 | 75.4° | 62.6° |
| C20 | C19 | N18 | H10 | 120.5° | 119.7° |
| C20 | C19 | N18 | H11 | 120.5° | 119.8° |
| C20 | C19 | N18 | C23 | 15.3° | 50.3° |
| C20 | C19 | N18 | C16 | 165.2° | 129.4° |
| C20 | C19 | H10 | H11 | 118.5° | 120.6° |
| C19 | C20 | H12 | H13 | 120.5° | 120.1° |
| O21 | C22 | C23 | H14 | 119.8° | 120.1° |
| O21 | C22 | C23 | H15 | 119.8° | 119.9° |
| O21 | C22 | C23 | N18 | 38.6° | 52.1° |
| C22 | O21 | C20 | H12 | 44.4° | 177.5° |
| C22 | O21 | C20 | H13 | 164.7° | 57.3° |
| O21 | C22 | H14 | H15 | 120.5° | 120.2° |
| O21 | C22 | C23 | H16 | 82.2° | 172.0° |
| O21 | C22 | C23 | H17 | 159.4° | 67.4° |
| C22 | C23 | N18 | C19 | 12.4° | 50.2° |
| C22 | C23 | N18 | H16 | 120.8° | 119.9° |
| C22 | C23 | N18 | H17 | 120.8° | 119.6° |
| C22 | C23 | N18 | C16 | 168.2° | 129.5° |
| C23 | C22 | H14 | H15 | 120.5° | 119.9° |
| C22 | C23 | H16 | H17 | 117.4° | 120.5° |
| C19 | N18 | C23 | C16 | 179.5° | 179.7° |
| C19 | N18 | C16 | O17 | 3.3° | 5.4° |
| C19 | N18 | C16 | C13 | 178.1° | 174.5° |
| N18 | C19 | H10 | H11 | 118.5° | 120.5° |
| N18 | C19 | C20 | H12 | 75.2° | 172.2° |
| N18 | C19 | C20 | H13 | 164.4° | 67.7° |
| C19 | N18 | C23 | H16 | 108.5° | 170.1° |
| C19 | N18 | C23 | H17 | 133.2° | 69.4° |
| C23 | N18 | C16 | O17 | 176.2° | 174.3° |
| C23 | N18 | C16 | C13 | 1.4° | 5.8° |
| C23 | N18 | C19 | H10 | 135.8° | 69.4° |
| C23 | N18 | C19 | H11 | 105.2° | 170.0° |
| N18 | C23 | C22 | H14 | 158.4° | 172.1° |
| N18 | C23 | C22 | H15 | 81.3° | 67.8° |
| N18 | C23 | H16 | H17 | 117.5° | 120.2° |
| N18 | C16 | O17 | C13 | 175.0° | 180.0° |
| N18 | C16 | C13 | C12 | 56.9° | 147.8° |
| N18 | C16 | C13 | C14 | 121.0° | 32.2° |
| C16 | N18 | C19 | H10 | 44.8° | 110.9° |
| C16 | N18 | C19 | H11 | 74.3° | 9.7° |
| C16 | N18 | C23 | H16 | 71.0° | 9.6° |
| C16 | N18 | C23 | H17 | 47.4° | 110.9° |
| O17 | C16 | C13 | C12 | 128.2° | 32.2° |
| O17 | C16 | C13 | C14 | 53.9° | 147.8° |
| C16 | C13 | C12 | C14 | 177.9° | 180.0° |
| C16 | C13 | C12 | C11 | 178.7° | 179.9° |
| C16 | C13 | C14 | N15 | 179.1° | 180.0° |
| C16 | C13 | C12 | H8 | 1.3° | 0.0° |
| C16 | C13 | C14 | H9 | 0.8° | 0.1° |
| C13 | C12 | C11 | H8 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.0° | 0.1° |
| C12 | C13 | C14 | N15 | 1.2° | 0.0° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | H9 | 178.8° | 179.9° |
| C11 | C12 | C13 | C14 | 0.8° | 0.0° |
| C12 | C11 | C10 | H7 | 180.0° | 179.9° |
| C12 | C11 | C10 | N15 | 0.7° | 0.0° |
| C12 | C11 | C10 | N9 | 178.6° | 179.8° |
| C13 | C14 | N15 | H9 | 180.0° | 179.9° |
| C13 | C14 | N15 | C10 | 0.6° | 0.0° |
| C14 | C13 | C12 | H8 | 179.2° | 180.0° |
| C11 | C10 | N15 | C14 | 0.4° | 0.0° |
| C11 | C10 | N15 | N9 | 178.0° | 179.7° |
| C11 | C10 | N9 | C2 | 171.1° | 6.4° |
| C11 | C10 | N9 | H6 | 8.8° | 173.6° |
| C10 | C11 | C12 | H8 | 179.9° | 180.0° |
| C14 | N15 | C10 | N9 | 178.3° | 179.7° |
| N15 | C10 | N9 | C2 | 10.9° | 173.9° |
| N15 | C10 | N9 | H6 | 169.2° | 6.1° |
| N15 | C10 | C11 | H7 | 179.3° | 179.9° |
| C10 | N15 | C14 | H9 | 179.4° | 180.0° |
| C10 | N9 | C2 | H6 | 180.0° | 180.0° |
| C10 | N9 | C2 | C1 | 173.8° | 60.0° |
| C10 | N9 | C2 | C3 | 8.0° | 120.0° |
| N9 | C10 | C11 | H7 | 1.4° | 0.3° |
| N9 | C2 | C1 | O8 | 1.5° | 0.3° |
| N9 | C2 | C1 | C3 | 178.4° | 179.9° |
| N9 | C2 | C1 | N6 | 179.0° | 179.9° |
| N9 | C2 | C3 | C4 | 179.0° | 180.0° |
| N9 | C2 | C3 | H1 | 0.9° | 0.1° |
| O8 | C1 | C2 | N6 | 179.6° | 179.7° |
| O8 | C1 | C2 | C3 | 179.9° | 179.8° |
| O8 | C1 | N6 | C7 | 1.4° | 0.3° |
| O8 | C1 | N6 | C5 | 179.8° | 179.8° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | C1 | N6 | C7 | 179.0° | 180.0° |
| C2 | C1 | N6 | C5 | 0.3° | 0.0° |
| C1 | C2 | C3 | H1 | 179.1° | 180.0° |
| C1 | C2 | N9 | H6 | 6.2° | 119.9° |
| C3 | C2 | C1 | N6 | 0.6° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C2 | C3 | C4 | C24 | 178.1° | 180.0° |
| C3 | C2 | N9 | H6 | 172.1° | 60.0° |
| C1 | N6 | C7 | C5 | 178.8° | 180.0° |
| C1 | N6 | C5 | C4 | 0.2° | 0.0° |
| C1 | N6 | C5 | H2 | 179.8° | 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 | 0.5° | 0.1° |
| C3 | C4 | C5 | C24 | 178.9° | 180.0° |
| C3 | C4 | C24 | C25 | 45.4° | 104.7° |
| C3 | C4 | C24 | C29 | 136.8° | 75.0° |
| C3 | C4 | C5 | H2 | 179.5° | 180.0° |
| C7 | N6 | C5 | C4 | 179.0° | 180.0° |
| C7 | N6 | C5 | H2 | 1.0° | 0.0° |
| N6 | C7 | H3 | H4 | 120.0° | 120.0° |
| N6 | C7 | H3 | H5 | 120.0° | 119.9° |
| N6 | C7 | H4 | H5 | 120.0° | 119.9° |
| N6 | C5 | C4 | H2 | 180.0° | 179.9° |
| N6 | C5 | C4 | C24 | 178.4° | 180.0° |
| C5 | N6 | C7 | H3 | 1.3° | 180.0° |
| C5 | N6 | C7 | H4 | 118.8° | 60.0° |
| C5 | N6 | C7 | H5 | 121.2° | 60.0° |
| C5 | C4 | C24 | C25 | 133.5° | 75.3° |
| C5 | C4 | C24 | C29 | 44.2° | 105.1° |
| C5 | C4 | C3 | H1 | 179.2° | 180.0° |
| C4 | C24 | C25 | C29 | 177.9° | 179.7° |
| C4 | C24 | C25 | C26 | 179.9° | 180.0° |
| C4 | C24 | C29 | C30 | 5.0° | 0.0° |
| C4 | C24 | C29 | C28 | 179.0° | 179.8° |
| C24 | C4 | C3 | H1 | 1.9° | 0.0° |
| C24 | C4 | C5 | H2 | 1.5° | 0.0° |
| C4 | C24 | C25 | H18 | 0.1° | 0.0° |
| C24 | C25 | C26 | H18 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 2.1° | 0.0° |
| C25 | C24 | C29 | C30 | 177.3° | 179.7° |
| C25 | C24 | C29 | C28 | 3.3° | 0.6° |
| C24 | C25 | C26 | H19 | 177.9° | 179.9° |
| C26 | C25 | C24 | C29 | 2.2° | 0.3° |
| C25 | C26 | C27 | H19 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 3.1° | 0.0° |
| C25 | C26 | C27 | H20 | 176.9° | 180.0° |
| C24 | C29 | C30 | C28 | 173.7° | 179.7° |
| C24 | C29 | C30 | O45 | 105.0° | 89.9° |
| C24 | C29 | C28 | C27 | 4.5° | 0.5° |
| C24 | C29 | C28 | N31 | 179.0° | 179.7° |
| C29 | C24 | C25 | H18 | 177.8° | 179.7° |
| C24 | C29 | C30 | H21 | 134.5° | 150.0° |
| C24 | C29 | C30 | H22 | 15.4° | 30.0° |
| C26 | C27 | C28 | C29 | 4.4° | 0.2° |
| C26 | C27 | C28 | H20 | 180.0° | 179.9° |
| C26 | C27 | C28 | N31 | 178.6° | 180.0° |
| C27 | C26 | C25 | H18 | 177.9° | 180.0° |
| C29 | C30 | O45 | H21 | 120.5° | 120.1° |
| C29 | C30 | O45 | H22 | 120.4° | 119.9° |
| C30 | C29 | C28 | C27 | 178.1° | 179.8° |
| C30 | C29 | C28 | N31 | 7.4° | 0.0° |
| C29 | C30 | H21 | H22 | 118.6° | 119.9° |
| C29 | C30 | O45 | H36 | 180.0° | 180.0° |
| C28 | C29 | C30 | O45 | 81.2° | 89.8° |
| C29 | C28 | C27 | N31 | 174.2° | 179.8° |
| C29 | C28 | N31 | C32 | 88.7° | 90.5° |
| C29 | C28 | N31 | C34 | 92.6° | 89.7° |
| C29 | C28 | C27 | H20 | 175.6° | 179.8° |
| C28 | C29 | C30 | H21 | 39.2° | 30.3° |
| C28 | C29 | C30 | H22 | 158.3° | 150.3° |
| O45 | C30 | H21 | H22 | 118.6° | 120.0° |
| C27 | C28 | N31 | C32 | 96.8° | 89.8° |
| C27 | C28 | N31 | C34 | 81.8° | 90.0° |
| C28 | C27 | C26 | H19 | 176.9° | 180.0° |
| C28 | N31 | C32 | C34 | 178.6° | 179.8° |
| C28 | N31 | C32 | C33 | 143.1° | 139.7° |
| C28 | N31 | C34 | O44 | 0.9° | 7.3° |
| C28 | N31 | C34 | C35 | 174.0° | 172.7° |
| N31 | C28 | C27 | H20 | 1.5° | 0.0° |
| C28 | N31 | C32 | H23 | 96.9° | 99.9° |
| C28 | N31 | C32 | H24 | 23.1° | 19.3° |
| N31 | C32 | C33 | H23 | 120.0° | 120.4° |
| N31 | C32 | C33 | H24 | 120.0° | 120.4° |
| N31 | C32 | C33 | C36 | 46.5° | 50.7° |
| C32 | N31 | C34 | O44 | 179.5° | 172.9° |
| C32 | N31 | C34 | C35 | 7.5° | 7.1° |
| N31 | C32 | H23 | H24 | 120.0° | 119.3° |
| N31 | C32 | C33 | H25 | 167.1° | 170.8° |
| N31 | C32 | C33 | H26 | 74.1° | 69.5° |
| C33 | C32 | N31 | C34 | 38.3° | 40.1° |
| C32 | C33 | C36 | H25 | 120.6° | 120.2° |
| C32 | C33 | C36 | H26 | 120.6° | 120.2° |
| C32 | C33 | C36 | C35 | 28.1° | 33.0° |
| C32 | C33 | C36 | C37 | 152.9° | 147.2° |
| C33 | C32 | H23 | H24 | 120.0° | 119.3° |
| C32 | C33 | H25 | H26 | 118.1° | 119.7° |
| N31 | C34 | O44 | C35 | 173.0° | 180.0° |
| N31 | C34 | C35 | C36 | 15.2° | 14.0° |
| N31 | C34 | C35 | C40 | 172.6° | 167.2° |
| C34 | N31 | C32 | H23 | 81.7° | 80.3° |
| C34 | N31 | C32 | H24 | 158.3° | 160.4° |
| C33 | C36 | C35 | C34 | 3.8° | 1.0° |
| C33 | C36 | C35 | C37 | 179.1° | 179.7° |
| C33 | C36 | C35 | C40 | 175.9° | 177.8° |
| C33 | C36 | C37 | C38 | 175.9° | 179.0° |
| C36 | C33 | C32 | H23 | 73.6° | 69.7° |
| C36 | C33 | C32 | H24 | 166.5° | 171.1° |
| C36 | C33 | H25 | H26 | 118.1° | 119.6° |
| C33 | C36 | C37 | H27 | 4.0° | 1.1° |
| O44 | C34 | C35 | C36 | 158.1° | 165.9° |
| O44 | C34 | C35 | C40 | 14.0° | 12.8° |
| C34 | C35 | C36 | C40 | 172.2° | 178.7° |
| C34 | C35 | C36 | C37 | 175.3° | 179.3° |
| C34 | C35 | C40 | C39 | 176.0° | 179.1° |
| C34 | C35 | C40 | H29 | 4.1° | 0.4° |
| C35 | C36 | C37 | C38 | 3.1° | 0.7° |
| C36 | C35 | C40 | C39 | 4.0° | 2.2° |
| C35 | C36 | C33 | H25 | 148.7° | 153.3° |
| C35 | C36 | C33 | H26 | 92.5° | 87.2° |
| C35 | C36 | C37 | H27 | 176.9° | 179.2° |
| C36 | C35 | C40 | H29 | 176.0° | 178.3° |
| C37 | C36 | C35 | C40 | 3.1° | 1.9° |
| C36 | C37 | C38 | H27 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 4.1° | 0.3° |
| C36 | C37 | C38 | N41 | 179.4° | 179.7° |
| C37 | C36 | C33 | H25 | 32.2° | 27.0° |
| C37 | C36 | C33 | H26 | 86.5° | 92.6° |
| C35 | C40 | C39 | H29 | 180.0° | 179.5° |
| C35 | C40 | C39 | C38 | 4.9° | 1.1° |
| C35 | C40 | C39 | H28 | 175.1° | 179.3° |
| C37 | C38 | C39 | C40 | 4.9° | 0.1° |
| C37 | C38 | C39 | N41 | 175.5° | 180.0° |
| C37 | C38 | N41 | C42 | 17.2° | 180.0° |
| C37 | C38 | N41 | C43 | 165.5° | 0.1° |
| C37 | C38 | C39 | H28 | 175.1° | 179.5° |
| C40 | C39 | C38 | H28 | 180.0° | 179.6° |
| C40 | C39 | C38 | N41 | 179.6° | 180.0° |
| C39 | C38 | N41 | C42 | 167.3° | 0.0° |
| C39 | C38 | N41 | C43 | 9.9° | 180.0° |
| C39 | C38 | C37 | H27 | 175.9° | 179.8° |
| C38 | C39 | C40 | H29 | 175.1° | 179.3° |
| C38 | N41 | C42 | C43 | 177.4° | 180.0° |
| N41 | C38 | C37 | H27 | 0.6° | 0.2° |
| N41 | C38 | C39 | H28 | 0.4° | 0.5° |
| C38 | N41 | C42 | H30 | 180.0° | 89.9° |
| C38 | N41 | C42 | H31 | 60.0° | 150.0° |
| C38 | N41 | C42 | H32 | 60.0° | 30.0° |
| C38 | N41 | C43 | H33 | 180.0° | 90.0° |
| C38 | N41 | C43 | H34 | 60.0° | 150.0° |
| C38 | N41 | C43 | H35 | 60.0° | 30.0° |
| N41 | C42 | H30 | H31 | 120.0° | 120.1° |
| N41 | C42 | H30 | H32 | 120.0° | 119.9° |
| N41 | C42 | H31 | H32 | 120.0° | 120.0° |
| C42 | N41 | C43 | H33 | 2.7° | 90.0° |
| C42 | N41 | C43 | H34 | 117.3° | 30.0° |
| C42 | N41 | C43 | H35 | 122.7° | 150.0° |
| C43 | N41 | C42 | H30 | 2.6° | 90.0° |
| C43 | N41 | C42 | H31 | 122.6° | 30.1° |
| C43 | N41 | C42 | H32 | 117.4° | 150.1° |
| N41 | C43 | H33 | H34 | 120.0° | 120.0° |
| N41 | C43 | H33 | H35 | 120.0° | 120.0° |
| N41 | C43 | H34 | H35 | 120.0° | 120.0° |
| H3 | C7 | H4 | H5 | 120.0° | 120.1° |
| H7 | C11 | C12 | H8 | 0.0° | 0.1° |
| H10 | C19 | C20 | H12 | 45.2° | 52.6° |
| H10 | C19 | C20 | H13 | 75.1° | 172.6° |
| H11 | C19 | C20 | H12 | 164.3° | 68.0° |
| H11 | C19 | C20 | H13 | 44.0° | 52.1° |
| H14 | C22 | C23 | H16 | 37.6° | 67.9° |
| H14 | C22 | C23 | H17 | 80.7° | 52.7° |
| H15 | C22 | C23 | H16 | 157.9° | 52.1° |
| H15 | C22 | C23 | H17 | 39.6° | 172.7° |
| H18 | C25 | C26 | H19 | 2.1° | 0.0° |
| H19 | C26 | C27 | H20 | 3.1° | 0.0° |
| H21 | C30 | O45 | H36 | 59.5° | 59.9° |
| H22 | C30 | O45 | H36 | 59.6° | 60.1° |
| H23 | C32 | C33 | H25 | 47.1° | 50.5° |
| H23 | C32 | C33 | H26 | 165.8° | 170.1° |
| H24 | C32 | C33 | H25 | 72.9° | 68.8° |
| H24 | C32 | C33 | H26 | 45.9° | 50.9° |
| H28 | C39 | C40 | H29 | 4.9° | 0.3° |
| H30 | C42 | H31 | H32 | 120.0° | 120.0° |
| H33 | C43 | H34 | H35 | 120.0° | 120.0° |
