A1B0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | N19 | sing | 1.48Å | 1.43Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| N19 | C20 | sing | 1.37Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.46Å | 1.50Å | |
| C20 | O21 | doub | 1.21Å | 1.16Å | |
| C22 | C23 | doub | 1.31Å | 1.64Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| N13 | C14 | sing | 1.46Å | 1.44Å | |
| N13 | C11 | sing | 1.35Å | 1.43Å | |
| C14 | C36 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | sing | 1.50Å | 1.53Å | |
| N35 | C36 | sing | 1.37Å | 1.43Å | |
| N35 | C24 | sing | 1.48Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | N09 | sing | 1.47Å | 1.44Å | |
| C11 | O12 | doub | 1.21Å | 1.17Å | |
| C36 | O37 | doub | 1.22Å | 1.18Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| O08 | C07 | doub | 1.22Å | 1.17Å | |
| N09 | C07 | sing | 1.35Å | 1.44Å | |
| C07 | N06 | sing | 1.35Å | 1.44Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C27 | C26 | doub | 1.34Å | 1.37Å | Aromatic |
| C27 | N28 | sing | 1.37Å | 1.32Å | Aromatic |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C26 | C34 | sing | 1.46Å | 1.41Å | Aromatic |
| N06 | C05 | sing | 1.46Å | 1.44Å | |
| C05 | C38 | sing | 1.53Å | 1.53Å | |
| C05 | C03 | sing | 1.51Å | 1.52Å | |
| N28 | C29 | sing | 1.38Å | 1.36Å | Aromatic |
| C38 | C40 | sing | 1.53Å | 1.53Å | |
| C34 | C29 | doub | 1.41Å | 1.36Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.42Å | Aromatic |
| O04 | C03 | doub | 1.21Å | 1.17Å | |
| C03 | O02 | sing | 1.34Å | 1.41Å | |
| C29 | C30 | sing | 1.39Å | 1.42Å | Aromatic |
| C33 | C32 | doub | 1.37Å | 1.38Å | Aromatic |
| O02 | C01 | sing | 1.45Å | 1.40Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H08 | sing | 1.09Å | 1.10Å | |
| C10 | H07 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.10Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.10Å | 1.08Å | |
| C24 | H23 | sing | 1.10Å | 1.10Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C01 | H09 | sing | 1.09Å | 1.10Å | |
| C01 | H03 | sing | 1.09Å | 1.10Å | |
| C05 | H04 | sing | 1.09Å | 1.10Å | |
| N06 | H05 | sing | 0.97Å | 1.00Å | |
| N09 | H06 | sing | 0.97Å | 1.00Å | |
| N13 | H10 | sing | 0.97Å | 1.00Å | |
| C14 | H11 | sing | 1.10Å | 1.10Å | |
| C16 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| N19 | H20 | sing | 0.97Å | 1.00Å | |
| C23 | H01 | sing | 1.09Å | 1.08Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| N28 | H27 | sing | 0.97Å | 1.00Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| N35 | H32 | sing | 0.97Å | 1.00Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | N19 | 107.3° | 108.7° |
| C18 | C17 | C16 | 113.2° | 109.6° |
| C18 | C17 | H17 | 108.6° | 109.4° |
| C18 | C17 | H16 | 108.5° | 109.2° |
| C17 | C18 | H18 | 110.0° | 109.4° |
| C17 | C18 | H19 | 110.0° | 109.5° |
| C18 | N19 | C20 | 124.0° | 115.7° |
| N19 | C18 | H18 | 110.0° | 109.9° |
| N19 | C18 | H19 | 110.0° | 109.6° |
| C18 | N19 | H20 | 118.0° | 122.1° |
| C17 | C16 | C15 | 113.3° | 109.5° |
| C16 | C17 | H17 | 108.5° | 109.5° |
| C16 | C17 | H16 | 108.5° | 109.5° |
| C17 | C16 | H15 | 108.5° | 109.4° |
| C17 | C16 | H14 | 108.5° | 108.9° |
| N19 | C20 | C22 | 114.7° | 119.0° |
| N19 | C20 | O21 | 121.5° | 119.6° |
| C20 | N19 | H20 | 118.0° | 122.2° |
| C16 | C15 | C14 | 108.5° | 111.1° |
| C16 | C15 | H13 | 109.7° | 109.6° |
| C16 | C15 | H12 | 109.7° | 109.1° |
| C15 | C16 | H15 | 108.5° | 110.8° |
| C15 | C16 | H14 | 108.5° | 109.1° |
| C22 | C20 | O21 | 123.8° | 121.4° |
| C20 | C22 | C23 | 124.0° | 125.9° |
| C20 | C22 | H21 | 118.0° | 117.2° |
| C22 | C23 | C24 | 108.4° | 124.3° |
| C23 | C22 | H21 | 118.0° | 116.9° |
| C22 | C23 | H01 | 125.8° | 118.1° |
| C15 | C14 | N13 | 117.1° | 110.9° |
| C15 | C14 | C36 | 104.9° | 109.9° |
| C14 | C15 | H13 | 109.7° | 109.6° |
| C14 | C15 | H12 | 109.7° | 109.1° |
| C15 | C14 | H11 | 100.2° | 108.6° |
| C14 | N13 | C11 | 121.4° | 120.0° |
| N13 | C14 | C36 | 128.1° | 110.4° |
| C14 | N13 | H10 | 119.3° | 120.0° |
| N13 | C14 | H11 | 100.8° | 108.7° |
| N13 | C11 | C10 | 117.2° | 120.0° |
| N13 | C11 | O12 | 119.5° | 120.0° |
| C11 | N13 | H10 | 119.3° | 119.9° |
| C14 | C36 | N35 | 113.6° | 118.7° |
| C14 | C36 | O37 | 124.3° | 120.1° |
| C36 | C14 | H11 | 100.2° | 108.4° |
| C23 | C24 | N35 | 101.0° | 109.8° |
| C23 | C24 | C25 | 104.8° | 109.9° |
| C23 | C24 | H23 | 106.5° | 108.7° |
| C24 | C23 | H01 | 125.8° | 117.6° |
| C36 | N35 | C24 | 131.2° | 114.1° |
| N35 | C36 | O37 | 122.1° | 121.2° |
| C36 | N35 | H32 | 114.4° | 122.3° |
| N35 | C24 | C25 | 128.7° | 110.5° |
| N35 | C24 | H23 | 107.4° | 109.2° |
| C24 | N35 | H32 | 114.4° | 123.6° |
| C11 | C10 | N09 | 114.9° | 109.5° |
| C10 | C11 | O12 | 123.3° | 120.0° |
| C11 | C10 | H08 | 108.1° | 109.5° |
| C11 | C10 | H07 | 108.1° | 109.5° |
| C10 | N09 | C07 | 114.9° | 120.0° |
| N09 | C10 | H08 | 108.1° | 109.4° |
| N09 | C10 | H07 | 108.1° | 109.5° |
| C10 | N09 | H06 | 122.6° | 119.9° |
| C24 | C25 | C26 | 124.2° | 109.5° |
| C25 | C24 | H23 | 106.6° | 108.7° |
| C24 | C25 | H24 | 105.7° | 109.5° |
| C24 | C25 | H25 | 105.7° | 109.4° |
| O08 | C07 | N09 | 119.8° | 120.0° |
| O08 | C07 | N06 | 120.7° | 120.0° |
| N09 | C07 | N06 | 119.5° | 120.0° |
| C07 | N09 | H06 | 122.5° | 120.0° |
| C07 | N06 | C05 | 120.6° | 120.1° |
| C07 | N06 | H05 | 119.7° | 120.0° |
| C25 | C26 | C27 | 130.3° | 126.5° |
| C25 | C26 | C34 | 121.8° | 126.5° |
| C26 | C25 | H24 | 105.7° | 109.5° |
| C26 | C25 | H25 | 105.7° | 109.5° |
| C26 | C27 | N28 | 106.8° | 109.9° |
| C27 | C26 | C34 | 107.8° | 107.0° |
| C26 | C27 | H26 | 126.6° | 125.0° |
| C27 | N28 | C29 | 111.4° | 109.9° |
| N28 | C27 | H26 | 126.6° | 125.1° |
| C27 | N28 | H27 | 124.3° | 125.0° |
| C39 | C38 | C05 | 108.4° | 109.5° |
| C39 | C38 | C40 | 110.7° | 109.5° |
| C39 | C38 | H33 | 107.8° | 109.5° |
| C38 | C39 | H36 | 109.5° | 109.5° |
| C38 | C39 | H35 | 109.5° | 109.5° |
| C38 | C39 | H34 | 109.5° | 109.5° |
| C26 | C34 | C29 | 106.2° | 106.1° |
| C26 | C34 | C33 | 132.3° | 134.0° |
| N06 | C05 | C38 | 107.3° | 109.5° |
| N06 | C05 | C03 | 104.0° | 109.5° |
| N06 | C05 | H04 | 110.9° | 109.5° |
| C05 | N06 | H05 | 119.7° | 119.9° |
| C38 | C05 | C03 | 115.0° | 109.4° |
| C05 | C38 | C40 | 114.3° | 109.5° |
| C38 | C05 | H04 | 109.7° | 109.4° |
| C05 | C38 | H33 | 107.7° | 109.5° |
| C05 | C03 | O04 | 118.8° | 120.0° |
| C05 | C03 | O02 | 121.0° | 120.0° |
| C03 | C05 | H04 | 109.7° | 109.5° |
| N28 | C29 | C34 | 107.8° | 107.1° |
| N28 | C29 | C30 | 132.9° | 133.5° |
| C29 | N28 | H27 | 124.3° | 125.1° |
| C40 | C38 | H33 | 107.7° | 109.5° |
| C38 | C40 | H37 | 109.5° | 109.4° |
| C38 | C40 | H39 | 109.5° | 109.5° |
| C38 | C40 | H38 | 109.5° | 109.4° |
| C29 | C34 | C33 | 121.5° | 119.9° |
| C34 | C29 | C30 | 119.4° | 119.4° |
| C34 | C33 | C32 | 119.1° | 119.8° |
| C34 | C33 | H31 | 120.5° | 120.1° |
| O04 | C03 | O02 | 120.2° | 120.0° |
| C03 | O02 | C01 | 118.3° | 117.0° |
| C29 | C30 | C31 | 119.4° | 119.8° |
| C29 | C30 | H28 | 120.3° | 120.1° |
| C33 | C32 | C31 | 119.8° | 120.5° |
| C33 | C32 | H30 | 120.1° | 119.8° |
| C32 | C33 | H31 | 120.5° | 120.1° |
| O02 | C01 | H02 | 109.5° | 109.5° |
| O02 | C01 | H09 | 109.5° | 109.5° |
| O02 | C01 | H03 | 109.5° | 109.5° |
| C30 | C31 | C32 | 120.8° | 120.7° |
| C31 | C30 | H28 | 120.3° | 120.1° |
| C30 | C31 | H29 | 119.6° | 119.7° |
| C32 | C31 | H29 | 119.6° | 119.7° |
| C31 | C32 | H30 | 120.1° | 119.7° |
| H08 | C10 | H07 | 109.5° | 109.4° |
| H13 | C15 | H12 | 109.5° | 108.3° |
| H17 | C17 | H16 | 109.5° | 109.6° |
| H02 | C01 | H09 | 109.5° | 109.5° |
| H02 | C01 | H03 | 109.5° | 109.4° |
| H09 | C01 | H03 | 109.5° | 109.4° |
| H15 | C16 | H14 | 109.5° | 109.2° |
| H18 | C18 | H19 | 109.5° | 109.7° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H36 | C39 | H35 | 109.5° | 109.4° |
| H36 | C39 | H34 | 109.5° | 109.5° |
| H35 | C39 | H34 | 109.4° | 109.5° |
| H37 | C40 | H39 | 109.4° | 109.5° |
| H37 | C40 | H38 | 109.5° | 109.5° |
| H39 | C40 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | N19 | H18 | 119.6° | 119.7° |
| C17 | C18 | N19 | H19 | 119.7° | 119.7° |
| C18 | C17 | C16 | H17 | 120.6° | 120.0° |
| C18 | C17 | C16 | H16 | 120.5° | 119.8° |
| C17 | C18 | N19 | C20 | 119.7° | 103.3° |
| C18 | C17 | C16 | C15 | 81.9° | 152.8° |
| C18 | C17 | H17 | H16 | 118.3° | 119.7° |
| C18 | C17 | C16 | H15 | 38.6° | 31.3° |
| C18 | C17 | C16 | H14 | 157.5° | 88.0° |
| C17 | C18 | H18 | H19 | 121.0° | 120.2° |
| C17 | C18 | N19 | H20 | 60.3° | 77.8° |
| N19 | C18 | C17 | C16 | 12.8° | 88.4° |
| C18 | N19 | C20 | H20 | 180.0° | 178.9° |
| C18 | N19 | C20 | C22 | 178.5° | 176.2° |
| C18 | N19 | C20 | O21 | 1.1° | 5.9° |
| N19 | C18 | C17 | H17 | 107.8° | 151.5° |
| N19 | C18 | C17 | H16 | 133.3° | 31.5° |
| N19 | C18 | H18 | H19 | 121.0° | 120.6° |
| C17 | C16 | C15 | H15 | 120.6° | 120.7° |
| C17 | C16 | C15 | H14 | 120.6° | 119.1° |
| C17 | C16 | C15 | C14 | 166.1° | 130.8° |
| C17 | C16 | C15 | H13 | 74.0° | 107.9° |
| C17 | C16 | C15 | H12 | 46.3° | 10.5° |
| C16 | C17 | H17 | H16 | 118.3° | 120.1° |
| C17 | C16 | H15 | H14 | 118.2° | 119.1° |
| C16 | C17 | C18 | H18 | 106.9° | 31.5° |
| C16 | C17 | C18 | H19 | 132.4° | 151.9° |
| N19 | C20 | C22 | O21 | 177.4° | 177.9° |
| N19 | C20 | C22 | C23 | 161.5° | 70.0° |
| N19 | C20 | C22 | H21 | 18.5° | 109.7° |
| C20 | N19 | C18 | H18 | 0.0° | 16.3° |
| C20 | N19 | C18 | H19 | 120.7° | 137.0° |
| C16 | C15 | C14 | H13 | 119.8° | 121.3° |
| C16 | C15 | C14 | H12 | 119.9° | 120.3° |
| C16 | C15 | C14 | N13 | 77.0° | 43.0° |
| C16 | C15 | C14 | C36 | 134.5° | 79.3° |
| C16 | C15 | H13 | H12 | 120.5° | 118.9° |
| C15 | C16 | C17 | H17 | 157.5° | 87.2° |
| C15 | C16 | C17 | H16 | 38.6° | 33.0° |
| C16 | C15 | C14 | H11 | 30.9° | 162.3° |
| C15 | C16 | H15 | H14 | 118.2° | 120.2° |
| C20 | C22 | C23 | H21 | 180.0° | 179.7° |
| C20 | C22 | C23 | C24 | 50.9° | 0.6° |
| C22 | C20 | N19 | H20 | 1.5° | 4.9° |
| C20 | C22 | C23 | H01 | 129.1° | 179.1° |
| O21 | C20 | C22 | C23 | 15.9° | 112.1° |
| O21 | C20 | C22 | H21 | 164.1° | 68.2° |
| O21 | C20 | N19 | H20 | 178.9° | 173.0° |
| C22 | C23 | C24 | H01 | 180.0° | 179.7° |
| C22 | C23 | C24 | N35 | 29.3° | 36.8° |
| C22 | C23 | C24 | C25 | 164.5° | 84.9° |
| C22 | C23 | C24 | H23 | 82.8° | 156.2° |
| C15 | C14 | N13 | C36 | 140.2° | 122.0° |
| C15 | C14 | N13 | H11 | 107.5° | 119.2° |
| C15 | C14 | N13 | C11 | 78.9° | 155.0° |
| C15 | C14 | C36 | H11 | 103.6° | 118.5° |
| C15 | C14 | C36 | N35 | 81.7° | 69.5° |
| C15 | C14 | C36 | O37 | 97.9° | 111.3° |
| C14 | C15 | H13 | H12 | 120.4° | 118.9° |
| C15 | C14 | N13 | H10 | 101.1° | 25.0° |
| C14 | C15 | C16 | H15 | 45.5° | 10.1° |
| C14 | C15 | C16 | H14 | 73.3° | 110.1° |
| C14 | N13 | C11 | H10 | 180.0° | 180.0° |
| N13 | C14 | C36 | H11 | 112.6° | 118.9° |
| N13 | C14 | C36 | N35 | 134.5° | 53.1° |
| C14 | N13 | C11 | C10 | 176.8° | 180.0° |
| C14 | N13 | C11 | O12 | 2.8° | 0.0° |
| N13 | C14 | C36 | O37 | 45.9° | 126.2° |
| N13 | C14 | C15 | H13 | 42.9° | 78.3° |
| N13 | C14 | C15 | H12 | 163.2° | 163.3° |
| C11 | N13 | C14 | C36 | 61.3° | 83.0° |
| N13 | C11 | C10 | O12 | 179.6° | 179.9° |
| N13 | C11 | C10 | N09 | 135.2° | 180.0° |
| N13 | C11 | C10 | H08 | 14.4° | 60.0° |
| N13 | C11 | C10 | H07 | 104.0° | 60.0° |
| C11 | N13 | C14 | H11 | 173.6° | 35.7° |
| C14 | C36 | N35 | O37 | 179.6° | 179.3° |
| C14 | C36 | N35 | C24 | 175.0° | 168.3° |
| C36 | C14 | C15 | H13 | 105.7° | 159.4° |
| C36 | C14 | C15 | H12 | 14.6° | 41.0° |
| C36 | C14 | N13 | H10 | 118.8° | 97.0° |
| C14 | C36 | N35 | H32 | 4.9° | 13.3° |
| C23 | C24 | N35 | C36 | 178.8° | 166.7° |
| C23 | C24 | N35 | C25 | 119.2° | 121.4° |
| C23 | C24 | N35 | H23 | 111.4° | 119.1° |
| C23 | C24 | C25 | H23 | 112.7° | 118.8° |
| C23 | C24 | C25 | C26 | 138.6° | 65.8° |
| C24 | C23 | C22 | H21 | 129.2° | 179.6° |
| C23 | C24 | C25 | H24 | 99.4° | 54.2° |
| C23 | C24 | C25 | H25 | 16.6° | 174.2° |
| C23 | C24 | N35 | H32 | 1.2° | 11.6° |
| C36 | N35 | C24 | H32 | 180.0° | 178.3° |
| C36 | N35 | C24 | C25 | 59.6° | 72.0° |
| C36 | N35 | C24 | H23 | 69.8° | 47.6° |
| N35 | C36 | C14 | H11 | 21.9° | 172.1° |
| C24 | N35 | C36 | O37 | 4.6° | 12.4° |
| N35 | C24 | C25 | H23 | 129.7° | 119.8° |
| N35 | C24 | C25 | C26 | 21.0° | 172.9° |
| N35 | C24 | C23 | H01 | 150.7° | 143.5° |
| N35 | C24 | C25 | H24 | 143.0° | 67.1° |
| N35 | C24 | C25 | H25 | 101.0° | 52.9° |
| C11 | C10 | N09 | H08 | 120.8° | 120.0° |
| C11 | C10 | N09 | H07 | 120.8° | 120.1° |
| C11 | C10 | N09 | C07 | 79.0° | 180.0° |
| C11 | C10 | H08 | H07 | 117.5° | 120.1° |
| C11 | C10 | N09 | H06 | 101.0° | 0.0° |
| C10 | C11 | N13 | H10 | 3.2° | 0.0° |
| N09 | C10 | C11 | O12 | 45.2° | 0.0° |
| C10 | N09 | C07 | O08 | 0.6° | 0.1° |
| C10 | N09 | C07 | H06 | 180.0° | 179.9° |
| C10 | N09 | C07 | N06 | 179.4° | 180.0° |
| N09 | C10 | H08 | H07 | 117.5° | 120.0° |
| O12 | C11 | C10 | H08 | 166.0° | 119.9° |
| O12 | C11 | C10 | H07 | 75.6° | 120.1° |
| O12 | C11 | N13 | H10 | 177.2° | 180.0° |
| O37 | C36 | C14 | H11 | 158.5° | 7.2° |
| O37 | C36 | N35 | H32 | 175.4° | 165.9° |
| C24 | C25 | C26 | H24 | 122.0° | 120.0° |
| C24 | C25 | C26 | H25 | 122.0° | 119.9° |
| C24 | C25 | C26 | C27 | 46.4° | 93.3° |
| C24 | C25 | C26 | C34 | 138.0° | 86.4° |
| C25 | C24 | C23 | H01 | 15.6° | 94.8° |
| C24 | C25 | H24 | H25 | 113.4° | 119.9° |
| C25 | C24 | N35 | H32 | 120.4° | 109.7° |
| O08 | C07 | N09 | N06 | 180.0° | 179.9° |
| O08 | C07 | N06 | C05 | 1.0° | 0.1° |
| O08 | C07 | N06 | H05 | 179.0° | 180.0° |
| O08 | C07 | N09 | H06 | 179.4° | 180.0° |
| N09 | C07 | N06 | C05 | 179.0° | 180.0° |
| C07 | N09 | C10 | H08 | 41.8° | 60.0° |
| C07 | N09 | C10 | H07 | 160.2° | 59.9° |
| N09 | C07 | N06 | H05 | 1.0° | 0.1° |
| C07 | N06 | C05 | H05 | 180.0° | 180.0° |
| C07 | N06 | C05 | C38 | 138.2° | 85.0° |
| C07 | N06 | C05 | C03 | 99.5° | 155.0° |
| C07 | N06 | C05 | H04 | 18.4° | 35.0° |
| N06 | C07 | N09 | H06 | 0.6° | 0.1° |
| C25 | C26 | C27 | C34 | 176.1° | 179.7° |
| C25 | C26 | C27 | N28 | 176.9° | 179.7° |
| C25 | C26 | C34 | C29 | 177.9° | 179.8° |
| C25 | C26 | C34 | C33 | 3.1° | 0.4° |
| C26 | C25 | C24 | H23 | 108.7° | 53.0° |
| C26 | C25 | H24 | H25 | 113.4° | 120.0° |
| C25 | C26 | C27 | H26 | 3.1° | 0.3° |
| C26 | C27 | N28 | H26 | 180.0° | 180.0° |
| C26 | C27 | N28 | C29 | 0.0° | 0.0° |
| C27 | C26 | C34 | C29 | 1.4° | 0.0° |
| C27 | C26 | C34 | C33 | 179.5° | 179.9° |
| C27 | C26 | C25 | H24 | 168.4° | 146.7° |
| C27 | C26 | C25 | H25 | 75.6° | 26.7° |
| C26 | C27 | N28 | H27 | 179.9° | 179.9° |
| N28 | C27 | C26 | C34 | 0.9° | 0.0° |
| C27 | N28 | C29 | H27 | 180.0° | 179.9° |
| C27 | N28 | C29 | C34 | 0.9° | 0.1° |
| C27 | N28 | C29 | C30 | 179.3° | 180.0° |
| C39 | C38 | C05 | N06 | 66.7° | 180.0° |
| C39 | C38 | C05 | C40 | 124.0° | 120.0° |
| C39 | C38 | C05 | H33 | 116.4° | 120.0° |
| C39 | C38 | C05 | C03 | 178.2° | 60.0° |
| C39 | C38 | C40 | H33 | 117.6° | 120.0° |
| C39 | C38 | C05 | H04 | 53.9° | 60.0° |
| C38 | C39 | H36 | H35 | 120.0° | 120.0° |
| C38 | C39 | H36 | H34 | 120.0° | 120.0° |
| C38 | C39 | H35 | H34 | 120.0° | 120.0° |
| C39 | C38 | C40 | H37 | 180.0° | 180.0° |
| C39 | C38 | C40 | H39 | 60.0° | 60.0° |
| C39 | C38 | C40 | H38 | 60.0° | 60.0° |
| C26 | C34 | C29 | N28 | 1.4° | 0.1° |
| C26 | C34 | C29 | C33 | 179.2° | 179.9° |
| C26 | C34 | C29 | C30 | 178.8° | 180.0° |
| C26 | C34 | C33 | C32 | 179.0° | 180.0° |
| C34 | C26 | C25 | H24 | 16.0° | 33.6° |
| C34 | C26 | C25 | H25 | 100.0° | 153.7° |
| C34 | C26 | C27 | H26 | 179.1° | 180.0° |
| C26 | C34 | C33 | H31 | 1.0° | 0.1° |
| N06 | C05 | C38 | C03 | 115.2° | 120.1° |
| N06 | C05 | C38 | H04 | 120.5° | 120.0° |
| N06 | C05 | C03 | H04 | 118.7° | 120.0° |
| N06 | C05 | C38 | C40 | 57.3° | 60.0° |
| N06 | C05 | C03 | O04 | 129.2° | 0.0° |
| N06 | C05 | C03 | O02 | 48.6° | 180.0° |
| N06 | C05 | C38 | H33 | 177.0° | 60.0° |
| C38 | C05 | C03 | H04 | 124.3° | 119.9° |
| C05 | C38 | C40 | H33 | 119.7° | 120.0° |
| C38 | C05 | C03 | O04 | 113.8° | 120.0° |
| C38 | C05 | C03 | O02 | 68.4° | 60.0° |
| C38 | C05 | N06 | H05 | 41.9° | 95.0° |
| C05 | C38 | C39 | H36 | 180.0° | 60.0° |
| C05 | C38 | C39 | H35 | 60.0° | 180.0° |
| C05 | C38 | C39 | H34 | 60.0° | 60.0° |
| C05 | C38 | C40 | H37 | 57.3° | 60.0° |
| C05 | C38 | C40 | H39 | 177.2° | 180.0° |
| C05 | C38 | C40 | H38 | 62.7° | 60.0° |
| C03 | C05 | C38 | C40 | 57.8° | 180.0° |
| C05 | C03 | O04 | O02 | 177.8° | 180.0° |
| C05 | C03 | O02 | C01 | 175.1° | 180.0° |
| C03 | C05 | N06 | H05 | 80.5° | 25.0° |
| C03 | C05 | C38 | H33 | 61.8° | 60.0° |
| N28 | C29 | C34 | C30 | 179.8° | 179.9° |
| N28 | C29 | C34 | C33 | 179.4° | 180.0° |
| N28 | C29 | C30 | C31 | 179.2° | 179.9° |
| C29 | N28 | C27 | H26 | 180.0° | 180.0° |
| N28 | C29 | C30 | H28 | 0.9° | 0.1° |
| C40 | C38 | C05 | H04 | 177.9° | 60.0° |
| C40 | C38 | C39 | H36 | 53.9° | 60.0° |
| C40 | C38 | C39 | H35 | 173.9° | 60.0° |
| C40 | C38 | C39 | H34 | 66.1° | 180.0° |
| C38 | C40 | H37 | H39 | 120.0° | 120.0° |
| C38 | C40 | H37 | H38 | 120.0° | 119.9° |
| C38 | C40 | H39 | H38 | 120.0° | 120.0° |
| C29 | C34 | C33 | C32 | 0.1° | 0.1° |
| C34 | C29 | C30 | C31 | 0.5° | 0.1° |
| C34 | C29 | N28 | H27 | 179.0° | 179.9° |
| C34 | C29 | C30 | H28 | 179.4° | 180.0° |
| C29 | C34 | C33 | H31 | 179.9° | 179.9° |
| C33 | C34 | C29 | C30 | 0.4° | 0.1° |
| C34 | C33 | C32 | H31 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 0.3° | 0.1° |
| C34 | C33 | C32 | H30 | 179.7° | 180.0° |
| O04 | C03 | O02 | C01 | 7.1° | 0.0° |
| O04 | C03 | C05 | H04 | 10.5° | 120.0° |
| C03 | O02 | C01 | H02 | 180.0° | 60.0° |
| C03 | O02 | C01 | H09 | 60.0° | 60.0° |
| C03 | O02 | C01 | H03 | 60.0° | 180.0° |
| O02 | C03 | C05 | H04 | 167.3° | 59.9° |
| C29 | C30 | C31 | H28 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C30 | C29 | N28 | H27 | 0.7° | 0.2° |
| C29 | C30 | C31 | H29 | 179.7° | 180.0° |
| C33 | C32 | C31 | C30 | 0.1° | 0.0° |
| C33 | C32 | C31 | H30 | 180.0° | 179.9° |
| C33 | C32 | C31 | H29 | 179.9° | 180.0° |
| O02 | C01 | H02 | H09 | 120.0° | 120.1° |
| O02 | C01 | H02 | H03 | 120.0° | 120.0° |
| O02 | C01 | H09 | H03 | 120.0° | 120.0° |
| C30 | C31 | C32 | H29 | 180.0° | 180.0° |
| C30 | C31 | C32 | H30 | 179.9° | 179.9° |
| C32 | C31 | C30 | H28 | 179.7° | 180.0° |
| C31 | C32 | C33 | H31 | 179.7° | 180.0° |
| H08 | C10 | N09 | H06 | 138.2° | 120.1° |
| H07 | C10 | N09 | H06 | 19.8° | 120.0° |
| H13 | C15 | C14 | H11 | 150.7° | 41.0° |
| H13 | C15 | C16 | H15 | 165.4° | 131.4° |
| H13 | C15 | C16 | H14 | 46.5° | 11.2° |
| H12 | C15 | C14 | H11 | 89.0° | 77.4° |
| H12 | C15 | C16 | H15 | 74.3° | 110.2° |
| H12 | C15 | C16 | H14 | 166.8° | 129.6° |
| H17 | C17 | C16 | H15 | 81.9° | 151.3° |
| H17 | C17 | C16 | H14 | 36.9° | 32.0° |
| H17 | C17 | C18 | H18 | 132.6° | 88.6° |
| H17 | C17 | C18 | H19 | 11.9° | 31.8° |
| H16 | C17 | C16 | H15 | 159.2° | 88.5° |
| H16 | C17 | C16 | H14 | 82.0° | 152.2° |
| H16 | C17 | C18 | H18 | 13.7° | 151.5° |
| H16 | C17 | C18 | H19 | 107.0° | 88.2° |
| H21 | C22 | C23 | H01 | 50.9° | 0.7° |
| H23 | C24 | C23 | H01 | 97.2° | 24.1° |
| H23 | C24 | C25 | H24 | 13.3° | 173.1° |
| H23 | C24 | C25 | H25 | 129.3° | 67.0° |
| H23 | C24 | N35 | H32 | 110.2° | 130.7° |
| H02 | C01 | H09 | H03 | 120.0° | 119.9° |
| H04 | C05 | N06 | H05 | 161.7° | 145.0° |
| H04 | C05 | C38 | H33 | 62.5° | 180.0° |
| H10 | N13 | C14 | H11 | 6.4° | 144.3° |
| H18 | C18 | N19 | H20 | 180.0° | 162.6° |
| H19 | C18 | N19 | H20 | 59.4° | 41.9° |
| H26 | C27 | N28 | H27 | 0.0° | 0.1° |
| H28 | C30 | C31 | H29 | 0.4° | 0.0° |
| H29 | C31 | C32 | H30 | 0.1° | 0.1° |
| H30 | C32 | C33 | H31 | 0.3° | 0.1° |
| H33 | C38 | C39 | H36 | 63.7° | 180.0° |
| H33 | C38 | C39 | H35 | 56.4° | 60.0° |
| H33 | C38 | C39 | H34 | 176.3° | 60.0° |
| H33 | C38 | C40 | H37 | 62.4° | 60.0° |
| H33 | C38 | C40 | H39 | 57.6° | 60.0° |
| H33 | C38 | C40 | H38 | 177.6° | 180.0° |
| H36 | C39 | H35 | H34 | 120.0° | 120.0° |
| H37 | C40 | H39 | H38 | 120.0° | 120.1° |
