A1EDJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C11 | sing | 1.53Å | 1.53Å | |
| C15 | C17 | sing | 1.53Å | 1.56Å | |
| C11 | C10 | sing | 1.53Å | 1.58Å | |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| C10 | N03 | sing | 1.47Å | 1.37Å | |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| C12 | C16 | sing | 1.53Å | 1.54Å | |
| C13 | N03 | sing | 1.47Å | 1.35Å | |
| C13 | C18 | sing | 1.53Å | 1.56Å | |
| N03 | C14 | sing | 1.47Å | 1.34Å | |
| C14 | C19 | sing | 1.53Å | 1.56Å | |
| C38 | C36 | doub | 1.38Å | 1.54Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.53Å | Aromatic |
| C36 | C34 | sing | 1.38Å | 1.53Å | Aromatic |
| C19 | N04 | sing | 1.47Å | 1.35Å | |
| C37 | C35 | doub | 1.38Å | 1.53Å | Aromatic |
| C18 | N04 | sing | 1.47Å | 1.35Å | |
| C34 | C31 | doub | 1.38Å | 1.53Å | Aromatic |
| N04 | C20 | sing | 1.47Å | 1.38Å | |
| C35 | C31 | sing | 1.38Å | 1.54Å | Aromatic |
| C31 | C28 | sing | 1.51Å | 1.52Å | |
| C25 | C28 | sing | 1.53Å | 1.55Å | |
| C25 | N05 | sing | 1.47Å | 1.45Å | |
| C20 | C22 | sing | 1.51Å | 1.55Å | |
| C20 | C21 | sing | 1.51Å | 1.61Å | |
| N05 | C22 | sing | 1.35Å | 1.35Å | Aromatic |
| N05 | N08 | sing | 1.29Å | 1.34Å | Aromatic |
| C22 | N06 | doub | 1.31Å | 1.33Å | Aromatic |
| C23 | C21 | doub | 1.36Å | 1.53Å | |
| C23 | C26 | sing | 1.46Å | 1.53Å | |
| C21 | C24 | sing | 1.41Å | 1.54Å | |
| N08 | N09 | doub | 1.29Å | 1.34Å | Aromatic |
| C39 | O02 | sing | 1.43Å | 1.41Å | |
| N06 | N09 | sing | 1.29Å | 1.35Å | Aromatic |
| C29 | C26 | doub | 1.40Å | 1.56Å | Aromatic |
| C29 | C32 | sing | 1.38Å | 1.53Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.49Å | Aromatic |
| C24 | O01 | doub | 1.22Å | 1.19Å | |
| C24 | N07 | sing | 1.34Å | 1.49Å | |
| O02 | C32 | sing | 1.36Å | 1.41Å | |
| C32 | C33 | doub | 1.39Å | 1.52Å | Aromatic |
| C27 | N07 | sing | 1.38Å | 1.55Å | |
| C27 | C30 | doub | 1.39Å | 1.55Å | Aromatic |
| C33 | C30 | sing | 1.38Å | 1.55Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| C35 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| C38 | H33 | sing | 1.08Å | 1.08Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| N07 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C15 | C17 | 111.7° | 109.5° |
| C15 | C11 | C10 | 111.6° | 109.5° |
| C15 | C11 | H2 | 108.9° | 109.5° |
| C15 | C11 | H3 | 108.9° | 109.5° |
| C11 | C15 | H10 | 108.9° | 109.5° |
| C11 | C15 | H11 | 108.9° | 109.5° |
| C15 | C17 | C16 | 111.3° | 109.5° |
| C17 | C15 | H10 | 108.9° | 109.5° |
| C17 | C15 | H11 | 108.9° | 109.4° |
| C15 | C17 | H14 | 109.0° | 109.4° |
| C15 | C17 | H15 | 109.0° | 109.5° |
| C11 | C10 | C12 | 111.0° | 109.5° |
| C11 | C10 | N03 | 108.7° | 109.5° |
| C11 | C10 | H1 | 108.1° | 109.5° |
| C10 | C11 | H2 | 108.9° | 109.4° |
| C10 | C11 | H3 | 108.9° | 109.5° |
| C12 | C10 | N03 | 109.5° | 109.5° |
| C10 | C12 | C16 | 112.5° | 109.4° |
| C12 | C10 | H1 | 108.5° | 109.4° |
| C10 | C12 | H4 | 108.7° | 109.5° |
| C10 | C12 | H5 | 108.7° | 109.5° |
| C10 | N03 | C13 | 111.6° | 111.0° |
| C10 | N03 | C14 | 109.4° | 111.0° |
| N03 | C10 | H1 | 111.0° | 109.4° |
| C17 | C16 | C12 | 111.8° | 109.5° |
| C17 | C16 | H12 | 108.9° | 109.5° |
| C17 | C16 | H13 | 108.9° | 109.5° |
| C16 | C17 | H14 | 109.0° | 109.4° |
| C16 | C17 | H15 | 109.0° | 109.5° |
| C16 | C12 | H4 | 108.7° | 109.5° |
| C16 | C12 | H5 | 108.7° | 109.4° |
| C12 | C16 | H12 | 108.9° | 109.4° |
| C12 | C16 | H13 | 108.9° | 109.5° |
| N03 | C13 | C18 | 112.9° | 109.4° |
| C13 | N03 | C14 | 111.4° | 110.8° |
| N03 | C13 | H6 | 108.6° | 109.5° |
| N03 | C13 | H7 | 108.6° | 109.4° |
| C13 | C18 | N04 | 115.7° | 109.4° |
| C18 | C13 | H6 | 108.6° | 109.5° |
| C18 | C13 | H7 | 108.6° | 109.5° |
| C13 | C18 | H16 | 107.9° | 109.5° |
| C13 | C18 | H17 | 107.9° | 109.5° |
| N03 | C14 | C19 | 114.4° | 109.3° |
| N03 | C14 | H8 | 108.2° | 109.4° |
| N03 | C14 | H9 | 108.2° | 109.5° |
| C14 | C19 | N04 | 114.7° | 109.4° |
| C19 | C14 | H8 | 108.2° | 109.5° |
| C19 | C14 | H9 | 108.2° | 109.5° |
| C14 | C19 | H18 | 108.2° | 109.4° |
| C14 | C19 | H19 | 108.2° | 109.5° |
| C36 | C38 | C37 | 120.0° | 120.0° |
| C38 | C36 | C34 | 119.7° | 120.0° |
| C38 | C36 | H31 | 120.2° | 120.0° |
| C36 | C38 | H33 | 120.0° | 120.0° |
| C38 | C37 | C35 | 120.1° | 120.0° |
| C38 | C37 | H32 | 120.0° | 120.0° |
| C37 | C38 | H33 | 120.0° | 120.0° |
| C36 | C34 | C31 | 120.3° | 120.0° |
| C36 | C34 | H29 | 119.9° | 120.0° |
| C34 | C36 | H31 | 120.1° | 120.0° |
| C19 | N04 | C18 | 110.1° | 110.9° |
| C19 | N04 | C20 | 113.0° | 111.0° |
| N04 | C19 | H18 | 108.1° | 109.5° |
| N04 | C19 | H19 | 108.1° | 109.5° |
| C37 | C35 | C31 | 119.9° | 120.0° |
| C37 | C35 | H30 | 120.1° | 120.0° |
| C35 | C37 | H32 | 119.9° | 120.0° |
| C18 | N04 | C20 | 112.9° | 111.0° |
| N04 | C18 | H16 | 107.9° | 109.5° |
| N04 | C18 | H17 | 107.9° | 109.5° |
| C34 | C31 | C35 | 120.0° | 120.0° |
| C34 | C31 | C28 | 119.3° | 120.0° |
| C31 | C34 | H29 | 119.9° | 120.0° |
| N04 | C20 | C22 | 111.2° | 109.5° |
| N04 | C20 | C21 | 115.6° | 109.5° |
| N04 | C20 | H20 | 110.4° | 109.4° |
| C35 | C31 | C28 | 120.7° | 120.0° |
| C31 | C35 | H30 | 120.1° | 120.0° |
| C31 | C28 | C25 | 112.0° | 109.5° |
| C31 | C28 | H24 | 108.8° | 109.5° |
| C31 | C28 | H25 | 108.8° | 109.5° |
| C28 | C25 | N05 | 105.5° | 109.4° |
| C28 | C25 | H22 | 110.4° | 109.5° |
| C28 | C25 | H23 | 110.5° | 109.5° |
| C25 | C28 | H24 | 108.9° | 109.4° |
| C25 | C28 | H25 | 108.8° | 109.4° |
| C25 | N05 | C22 | 129.7° | 126.4° |
| C25 | N05 | N08 | 122.6° | 126.4° |
| N05 | C25 | H22 | 110.5° | 109.5° |
| N05 | C25 | H23 | 110.4° | 109.5° |
| C22 | C20 | C21 | 103.6° | 109.5° |
| C20 | C22 | N05 | 130.2° | 126.7° |
| C20 | C22 | N06 | 121.5° | 126.7° |
| C22 | C20 | H20 | 108.1° | 109.5° |
| C20 | C21 | C23 | 122.5° | 119.9° |
| C20 | C21 | C24 | 120.5° | 119.9° |
| C21 | C20 | H20 | 107.4° | 109.5° |
| C22 | N05 | N08 | 107.7° | 107.2° |
| N05 | C22 | N06 | 108.1° | 106.6° |
| N05 | N08 | N09 | 108.1° | 108.8° |
| C22 | N06 | N09 | 107.8° | 108.1° |
| C21 | C23 | C26 | 121.2° | 118.6° |
| C23 | C21 | C24 | 117.1° | 120.2° |
| C21 | C23 | H21 | 119.4° | 120.7° |
| C23 | C26 | C29 | 120.4° | 121.1° |
| C23 | C26 | C27 | 120.7° | 119.0° |
| C26 | C23 | H21 | 119.4° | 120.7° |
| C21 | C24 | O01 | 122.4° | 119.1° |
| C21 | C24 | N07 | 121.7° | 121.7° |
| N08 | N09 | N06 | 108.2° | 109.4° |
| C39 | O02 | C32 | 113.4° | 117.0° |
| O02 | C39 | H34 | 109.5° | 109.5° |
| O02 | C39 | H35 | 109.5° | 109.5° |
| O02 | C39 | H36 | 109.5° | 109.5° |
| C26 | C29 | C32 | 120.3° | 119.6° |
| C29 | C26 | C27 | 118.9° | 119.9° |
| C26 | C29 | H26 | 119.8° | 120.2° |
| C29 | C32 | O02 | 120.2° | 119.8° |
| C29 | C32 | C33 | 120.7° | 120.4° |
| C32 | C29 | H26 | 119.9° | 120.2° |
| C26 | C27 | N07 | 119.2° | 119.6° |
| C26 | C27 | C30 | 121.5° | 119.6° |
| O01 | C24 | N07 | 115.9° | 119.2° |
| C24 | N07 | C27 | 120.3° | 120.9° |
| C24 | N07 | H39 | 119.9° | 119.5° |
| O02 | C32 | C33 | 119.0° | 119.8° |
| C32 | C33 | C30 | 119.0° | 120.6° |
| C32 | C33 | H28 | 120.5° | 119.8° |
| N07 | C27 | C30 | 119.3° | 120.8° |
| C27 | N07 | H39 | 119.9° | 119.6° |
| C27 | C30 | C33 | 119.5° | 120.0° |
| C27 | C30 | H27 | 120.3° | 120.0° |
| C33 | C30 | H27 | 120.3° | 120.0° |
| C30 | C33 | H28 | 120.5° | 119.6° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C28 | H25 | 109.5° | 109.4° |
| H34 | C39 | H35 | 109.5° | 109.5° |
| H34 | C39 | H36 | 109.4° | 109.5° |
| H35 | C39 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C15 | C17 | H10 | 120.3° | 120.1° |
| C11 | C15 | C17 | H11 | 120.4° | 120.0° |
| C15 | C11 | C10 | H2 | 120.3° | 119.9° |
| C15 | C11 | C10 | H3 | 120.3° | 120.1° |
| C15 | C11 | C10 | C12 | 18.6° | 60.0° |
| C15 | C11 | C10 | N03 | 139.1° | 180.0° |
| C11 | C15 | C17 | C16 | 42.7° | 59.9° |
| C15 | C11 | C10 | H1 | 100.3° | 60.0° |
| C15 | C11 | H2 | H3 | 119.0° | 120.1° |
| C11 | C15 | H10 | H11 | 119.0° | 120.0° |
| C11 | C15 | C17 | H14 | 77.5° | 60.0° |
| C11 | C15 | C17 | H15 | 163.0° | 180.0° |
| C17 | C15 | C11 | C10 | 62.5° | 59.9° |
| C15 | C17 | C16 | H14 | 120.3° | 119.9° |
| C15 | C17 | C16 | H15 | 120.3° | 120.1° |
| C15 | C17 | C16 | C12 | 17.1° | 59.9° |
| C17 | C15 | C11 | H2 | 177.2° | 60.0° |
| C17 | C15 | C11 | H3 | 57.8° | 180.0° |
| C17 | C15 | H10 | H11 | 119.0° | 119.9° |
| C15 | C17 | C16 | H12 | 103.3° | 60.0° |
| C15 | C17 | C16 | H13 | 137.4° | 180.0° |
| C15 | C17 | H14 | H15 | 119.2° | 120.0° |
| C11 | C10 | C12 | N03 | 120.0° | 120.1° |
| C11 | C10 | C12 | H1 | 118.6° | 120.0° |
| C11 | C10 | N03 | H1 | 118.8° | 120.0° |
| C11 | C10 | C12 | C16 | 41.4° | 59.9° |
| C11 | C10 | N03 | C13 | 136.2° | 64.9° |
| C11 | C10 | N03 | C14 | 12.5° | 58.8° |
| C10 | C11 | H2 | H3 | 119.0° | 120.0° |
| C11 | C10 | C12 | H4 | 79.1° | 180.0° |
| C11 | C10 | C12 | H5 | 161.8° | 60.0° |
| C10 | C11 | C15 | H10 | 177.2° | 180.0° |
| C10 | C11 | C15 | H11 | 57.9° | 60.0° |
| C12 | C10 | N03 | H1 | 119.8° | 119.9° |
| C10 | C12 | C16 | C17 | 61.2° | 59.9° |
| C10 | C12 | C16 | H4 | 120.5° | 120.0° |
| C10 | C12 | C16 | H5 | 120.4° | 119.9° |
| C12 | C10 | N03 | C13 | 102.3° | 175.0° |
| C12 | C10 | N03 | C14 | 134.0° | 61.3° |
| C12 | C10 | C11 | H2 | 138.9° | 60.0° |
| C12 | C10 | C11 | H3 | 101.7° | 180.0° |
| C10 | C12 | H4 | H5 | 118.6° | 120.0° |
| C10 | C12 | C16 | H12 | 59.2° | 60.1° |
| C10 | C12 | C16 | H13 | 178.5° | 180.0° |
| N03 | C10 | C12 | C16 | 78.7° | 180.0° |
| C10 | N03 | C13 | C14 | 122.6° | 123.8° |
| C10 | N03 | C13 | C18 | 179.6° | 176.8° |
| C10 | N03 | C14 | C19 | 150.0° | 176.8° |
| N03 | C10 | C11 | H2 | 100.5° | 60.0° |
| N03 | C10 | C11 | H3 | 18.8° | 60.0° |
| N03 | C10 | C12 | H4 | 160.9° | 59.9° |
| N03 | C10 | C12 | H5 | 41.8° | 60.1° |
| C10 | N03 | C13 | H6 | 59.9° | 63.1° |
| C10 | N03 | C13 | H7 | 59.1° | 56.9° |
| C10 | N03 | C14 | H8 | 29.2° | 56.9° |
| C10 | N03 | C14 | H9 | 89.3° | 63.2° |
| C17 | C16 | C12 | H12 | 120.3° | 120.0° |
| C17 | C16 | C12 | H13 | 120.4° | 120.0° |
| C17 | C16 | C12 | H4 | 59.3° | 180.0° |
| C17 | C16 | C12 | H5 | 178.4° | 60.0° |
| C16 | C17 | C15 | H10 | 163.1° | 180.0° |
| C16 | C17 | C15 | H11 | 77.6° | 60.0° |
| C17 | C16 | H12 | H13 | 119.0° | 120.0° |
| C16 | C17 | H14 | H15 | 119.2° | 120.0° |
| C16 | C12 | C10 | H1 | 160.0° | 60.1° |
| C16 | C12 | H4 | H5 | 118.6° | 120.0° |
| C12 | C16 | H12 | H13 | 118.9° | 120.0° |
| C12 | C16 | C17 | H14 | 137.3° | 60.0° |
| C12 | C16 | C17 | H15 | 103.2° | 180.0° |
| N03 | C13 | C18 | H6 | 120.5° | 120.0° |
| N03 | C13 | C18 | H7 | 120.5° | 119.9° |
| C13 | N03 | C14 | C19 | 26.2° | 59.3° |
| N03 | C13 | C18 | N04 | 33.3° | 58.4° |
| C13 | N03 | C10 | H1 | 17.5° | 55.1° |
| N03 | C13 | H6 | H7 | 118.4° | 120.0° |
| C13 | N03 | C14 | H8 | 94.6° | 179.3° |
| C13 | N03 | C14 | H9 | 146.9° | 60.7° |
| N03 | C13 | C18 | H16 | 87.6° | 61.6° |
| N03 | C13 | C18 | H17 | 154.3° | 178.4° |
| C18 | C13 | N03 | C14 | 57.0° | 59.3° |
| C13 | C18 | N04 | C19 | 23.6° | 59.3° |
| C13 | C18 | N04 | H16 | 120.9° | 120.0° |
| C13 | C18 | N04 | H17 | 120.9° | 120.0° |
| C13 | C18 | N04 | C20 | 103.7° | 176.8° |
| C18 | C13 | H6 | H7 | 118.4° | 120.1° |
| C13 | C18 | H16 | H17 | 117.2° | 120.1° |
| N03 | C14 | C19 | H8 | 120.7° | 119.9° |
| N03 | C14 | C19 | H9 | 120.7° | 120.0° |
| N03 | C14 | C19 | N04 | 32.0° | 58.4° |
| C14 | N03 | C10 | H1 | 106.2° | 178.8° |
| C14 | N03 | C13 | H6 | 177.6° | 60.7° |
| C14 | N03 | C13 | H7 | 63.5° | 179.3° |
| N03 | C14 | H8 | H9 | 117.7° | 120.0° |
| N03 | C14 | C19 | H18 | 88.7° | 178.4° |
| N03 | C14 | C19 | H19 | 152.8° | 61.6° |
| C14 | C19 | N04 | H18 | 120.7° | 119.9° |
| C14 | C19 | N04 | H19 | 120.8° | 120.0° |
| C14 | C19 | N04 | C18 | 55.0° | 59.3° |
| C14 | C19 | N04 | C20 | 72.2° | 176.8° |
| C19 | C14 | H8 | H9 | 117.8° | 120.1° |
| C14 | C19 | H18 | H19 | 117.7° | 120.0° |
| C36 | C38 | C37 | H33 | 180.0° | 179.8° |
| C38 | C36 | C34 | H31 | 180.0° | 180.0° |
| C36 | C38 | C37 | C35 | 0.1° | 0.3° |
| C38 | C36 | C34 | C31 | 0.4° | 0.0° |
| C38 | C36 | C34 | H29 | 179.6° | 180.0° |
| C36 | C38 | C37 | H32 | 179.9° | 179.7° |
| C37 | C38 | C36 | C34 | 0.0° | 0.3° |
| C38 | C37 | C35 | H32 | 180.0° | 180.0° |
| C38 | C37 | C35 | C31 | 0.1° | 0.0° |
| C38 | C37 | C35 | H30 | 179.9° | 179.9° |
| C37 | C38 | C36 | H31 | 179.9° | 179.7° |
| C36 | C34 | C31 | H29 | 180.0° | 180.0° |
| C36 | C34 | C31 | C35 | 0.6° | 0.3° |
| C36 | C34 | C31 | C28 | 179.8° | 180.0° |
| C34 | C36 | C38 | H33 | 180.0° | 180.0° |
| C19 | N04 | C18 | C20 | 127.3° | 123.9° |
| C19 | N04 | C20 | C22 | 158.4° | 176.2° |
| C19 | N04 | C20 | C21 | 83.8° | 56.1° |
| N04 | C19 | C14 | H8 | 152.8° | 178.3° |
| N04 | C19 | C14 | H9 | 88.7° | 61.6° |
| C19 | N04 | C18 | H16 | 144.5° | 60.7° |
| C19 | N04 | C18 | H17 | 97.3° | 179.3° |
| N04 | C19 | H18 | H19 | 117.6° | 120.1° |
| C19 | N04 | C20 | H20 | 38.4° | 63.8° |
| C37 | C35 | C31 | C34 | 0.5° | 0.3° |
| C37 | C35 | C31 | H30 | 180.0° | 180.0° |
| C37 | C35 | C31 | C28 | 179.6° | 180.0° |
| C35 | C37 | C38 | H33 | 179.9° | 179.9° |
| C18 | N04 | C20 | C22 | 32.6° | 60.0° |
| C18 | N04 | C20 | C21 | 150.4° | 180.0° |
| N04 | C18 | C13 | H6 | 153.8° | 61.6° |
| N04 | C18 | C13 | H7 | 87.2° | 178.3° |
| N04 | C18 | H16 | H17 | 117.2° | 120.0° |
| C18 | N04 | C19 | H18 | 65.7° | 179.3° |
| C18 | N04 | C19 | H19 | 175.8° | 60.7° |
| C18 | N04 | C20 | H20 | 87.4° | 60.0° |
| C34 | C31 | C35 | C28 | 179.1° | 179.7° |
| C34 | C31 | C28 | C25 | 129.8° | 90.0° |
| C34 | C31 | C28 | H24 | 9.4° | 30.0° |
| C34 | C31 | C28 | H25 | 109.8° | 150.0° |
| C34 | C31 | C35 | H30 | 179.5° | 179.8° |
| C31 | C34 | C36 | H31 | 179.6° | 180.0° |
| N04 | C20 | C22 | C21 | 124.8° | 120.0° |
| N04 | C20 | C22 | H20 | 121.4° | 120.0° |
| N04 | C20 | C21 | H20 | 123.7° | 120.0° |
| N04 | C20 | C22 | N05 | 96.4° | 134.7° |
| N04 | C20 | C22 | N06 | 88.5° | 45.0° |
| N04 | C20 | C21 | C23 | 15.8° | 125.2° |
| N04 | C20 | C21 | C24 | 164.6° | 55.0° |
| C20 | N04 | C18 | H16 | 17.2° | 63.2° |
| C20 | N04 | C18 | H17 | 135.4° | 56.8° |
| C20 | N04 | C19 | H18 | 167.0° | 56.8° |
| C20 | N04 | C19 | H19 | 48.6° | 63.2° |
| C35 | C31 | C28 | C25 | 51.0° | 90.3° |
| C35 | C31 | C28 | H24 | 171.4° | 149.7° |
| C35 | C31 | C28 | H25 | 69.3° | 29.7° |
| C35 | C31 | C34 | H29 | 179.4° | 179.7° |
| C31 | C35 | C37 | H32 | 179.8° | 180.0° |
| C31 | C28 | C25 | H24 | 120.4° | 120.0° |
| C31 | C28 | C25 | H25 | 120.3° | 120.0° |
| C31 | C28 | C25 | N05 | 97.3° | 180.0° |
| C31 | C28 | C25 | H22 | 22.1° | 60.0° |
| C31 | C28 | C25 | H23 | 143.3° | 60.0° |
| C31 | C28 | H24 | H25 | 118.8° | 120.1° |
| C28 | C31 | C34 | H29 | 0.2° | 0.0° |
| C28 | C31 | C35 | H30 | 0.4° | 0.0° |
| C28 | C25 | N05 | H22 | 119.4° | 120.0° |
| C28 | C25 | N05 | H23 | 119.4° | 120.0° |
| C28 | C25 | N05 | C22 | 174.9° | 90.0° |
| C28 | C25 | N05 | N08 | 7.2° | 90.0° |
| C28 | C25 | H22 | H23 | 121.8° | 120.0° |
| C25 | C28 | H24 | H25 | 118.9° | 119.9° |
| C25 | N05 | C22 | C20 | 4.7° | 0.0° |
| C25 | N05 | C22 | N08 | 178.1° | 180.0° |
| C25 | N05 | C22 | N06 | 179.7° | 179.8° |
| C25 | N05 | N08 | N09 | 179.5° | 179.8° |
| N05 | C25 | H22 | H23 | 121.8° | 120.0° |
| N05 | C25 | C28 | H24 | 142.3° | 60.0° |
| N05 | C25 | C28 | H25 | 23.0° | 60.0° |
| C22 | C20 | C21 | H20 | 114.3° | 120.0° |
| C20 | C22 | N05 | N06 | 175.6° | 179.8° |
| C20 | C22 | N05 | N08 | 177.2° | 180.0° |
| C22 | C20 | C21 | C23 | 137.8° | 114.7° |
| C22 | C20 | C21 | C24 | 42.6° | 65.0° |
| C20 | C22 | N06 | N09 | 177.4° | 180.0° |
| C21 | C20 | C22 | N05 | 138.7° | 105.3° |
| C21 | C20 | C22 | N06 | 36.4° | 75.0° |
| C20 | C21 | C23 | C24 | 179.6° | 179.7° |
| C20 | C21 | C23 | C26 | 179.6° | 180.0° |
| C20 | C21 | C24 | O01 | 0.3° | 0.0° |
| C20 | C21 | C24 | N07 | 179.9° | 180.0° |
| C20 | C21 | C23 | H21 | 0.4° | 0.0° |
| C22 | N05 | N08 | N09 | 1.3° | 0.2° |
| N05 | C22 | N06 | N09 | 1.3° | 0.2° |
| N05 | C22 | C20 | H20 | 24.9° | 14.7° |
| C22 | N05 | C25 | H22 | 65.7° | 30.0° |
| C22 | N05 | C25 | H23 | 55.6° | 150.0° |
| N08 | N05 | C22 | N06 | 1.6° | 0.2° |
| N05 | N08 | N09 | N06 | 0.5° | 0.0° |
| N08 | N05 | C25 | H22 | 112.1° | 150.0° |
| N08 | N05 | C25 | H23 | 126.6° | 30.0° |
| C22 | N06 | N09 | N08 | 0.5° | 0.1° |
| N06 | C22 | C20 | H20 | 150.2° | 165.0° |
| C21 | C23 | C26 | H21 | 180.0° | 180.0° |
| C21 | C23 | C26 | C29 | 179.9° | 180.0° |
| C21 | C23 | C26 | C27 | 0.2° | 0.0° |
| C23 | C21 | C24 | O01 | 180.0° | 179.7° |
| C23 | C21 | C24 | N07 | 0.3° | 0.3° |
| C23 | C21 | C20 | H20 | 107.9° | 5.3° |
| C26 | C23 | C21 | C24 | 0.0° | 0.3° |
| C23 | C26 | C29 | C27 | 179.9° | 179.9° |
| C23 | C26 | C29 | C32 | 179.7° | 180.0° |
| C23 | C26 | C27 | N07 | 0.0° | 0.2° |
| C23 | C26 | C27 | C30 | 179.9° | 180.0° |
| C23 | C26 | C29 | H26 | 0.3° | 0.1° |
| C21 | C24 | O01 | N07 | 179.7° | 180.0° |
| C21 | C24 | N07 | C27 | 0.4° | 0.0° |
| C24 | C21 | C20 | H20 | 71.7° | 175.0° |
| C24 | C21 | C23 | H21 | 180.0° | 179.8° |
| C21 | C24 | N07 | H39 | 179.5° | 180.0° |
| C39 | O02 | C32 | C29 | 44.7° | 180.0° |
| C39 | O02 | C32 | C33 | 135.1° | 0.0° |
| O02 | C39 | H34 | H35 | 120.0° | 120.0° |
| O02 | C39 | H34 | H36 | 120.0° | 120.0° |
| O02 | C39 | H35 | H36 | 120.0° | 120.0° |
| C26 | C29 | C32 | H26 | 180.0° | 180.0° |
| C26 | C29 | C32 | O02 | 180.0° | 180.0° |
| C26 | C29 | C32 | C33 | 0.3° | 0.0° |
| C29 | C26 | C27 | N07 | 179.9° | 179.7° |
| C29 | C26 | C27 | C30 | 0.0° | 0.0° |
| C29 | C26 | C23 | H21 | 0.1° | 0.1° |
| C32 | C29 | C26 | C27 | 0.1° | 0.0° |
| C29 | C32 | O02 | C33 | 179.8° | 180.0° |
| C29 | C32 | C33 | C30 | 0.3° | 0.0° |
| C29 | C32 | C33 | H28 | 179.7° | 180.0° |
| C26 | C27 | N07 | C24 | 0.3° | 0.2° |
| C26 | C27 | N07 | C30 | 179.9° | 179.7° |
| C26 | C27 | C30 | C33 | 0.0° | 0.0° |
| C27 | C26 | C23 | H21 | 179.8° | 180.0° |
| C27 | C26 | C29 | H26 | 179.9° | 180.0° |
| C26 | C27 | C30 | H27 | 180.0° | 180.0° |
| C26 | C27 | N07 | H39 | 179.7° | 179.7° |
| O01 | C24 | N07 | C27 | 179.8° | 180.0° |
| O01 | C24 | N07 | H39 | 0.2° | 0.1° |
| C24 | N07 | C27 | H39 | 180.0° | 179.9° |
| C24 | N07 | C27 | C30 | 179.8° | 180.0° |
| O02 | C32 | C33 | C30 | 180.0° | 180.0° |
| O02 | C32 | C29 | H26 | 0.1° | 0.0° |
| O02 | C32 | C33 | H28 | 0.0° | 0.0° |
| C32 | O02 | C39 | H34 | 180.0° | 60.0° |
| C32 | O02 | C39 | H35 | 60.0° | 60.0° |
| C32 | O02 | C39 | H36 | 60.0° | 180.0° |
| C32 | C33 | C30 | C27 | 0.1° | 0.0° |
| C32 | C33 | C30 | H28 | 180.0° | 180.0° |
| C33 | C32 | C29 | H26 | 179.7° | 180.0° |
| C32 | C33 | C30 | H27 | 179.9° | 180.0° |
| N07 | C27 | C30 | C33 | 179.9° | 179.7° |
| N07 | C27 | C30 | H27 | 0.1° | 0.3° |
| C27 | C30 | C33 | H27 | 180.0° | 180.0° |
| C27 | C30 | C33 | H28 | 179.9° | 180.0° |
| C30 | C27 | N07 | H39 | 0.2° | 0.0° |
| H1 | C10 | C11 | H2 | 20.1° | 180.0° |
| H1 | C10 | C11 | H3 | 139.4° | 60.0° |
| H1 | C10 | C12 | H4 | 39.6° | 60.0° |
| H1 | C10 | C12 | H5 | 79.5° | 180.0° |
| H2 | C11 | C15 | H10 | 56.9° | 60.1° |
| H2 | C11 | C15 | H11 | 62.4° | 179.9° |
| H3 | C11 | C15 | H10 | 62.5° | 60.0° |
| H3 | C11 | C15 | H11 | 178.2° | 60.0° |
| H4 | C12 | C16 | H12 | 179.6° | 60.0° |
| H4 | C12 | C16 | H13 | 61.1° | 60.0° |
| H5 | C12 | C16 | H12 | 61.3° | 180.0° |
| H5 | C12 | C16 | H13 | 58.0° | 60.0° |
| H6 | C13 | C18 | H16 | 33.0° | 178.4° |
| H6 | C13 | C18 | H17 | 85.2° | 58.4° |
| H7 | C13 | C18 | H16 | 151.9° | 58.4° |
| H7 | C13 | C18 | H17 | 33.7° | 61.7° |
| H8 | C14 | C19 | H18 | 32.0° | 61.7° |
| H8 | C14 | C19 | H19 | 86.5° | 58.3° |
| H9 | C14 | C19 | H18 | 150.6° | 58.4° |
| H9 | C14 | C19 | H19 | 32.1° | 178.4° |
| H10 | C15 | C17 | H14 | 42.8° | 60.1° |
| H10 | C15 | C17 | H15 | 76.7° | 59.9° |
| H11 | C15 | C17 | H14 | 162.1° | 180.0° |
| H11 | C15 | C17 | H15 | 42.7° | 60.0° |
| H12 | C16 | C17 | H14 | 17.0° | 180.0° |
| H12 | C16 | C17 | H15 | 136.5° | 60.1° |
| H13 | C16 | C17 | H14 | 102.4° | 60.0° |
| H13 | C16 | C17 | H15 | 17.1° | 59.9° |
| H22 | C25 | C28 | H24 | 98.3° | 60.0° |
| H22 | C25 | C28 | H25 | 142.4° | 179.9° |
| H23 | C25 | C28 | H24 | 23.0° | 180.0° |
| H23 | C25 | C28 | H25 | 96.3° | 60.0° |
| H27 | C30 | C33 | H28 | 0.1° | 0.0° |
| H29 | C34 | C36 | H31 | 0.4° | 0.0° |
| H30 | C35 | C37 | H32 | 0.2° | 0.1° |
| H31 | C36 | C38 | H33 | 0.0° | 0.1° |
| H32 | C37 | C38 | H33 | 0.1° | 0.0° |
| H34 | C39 | H35 | H36 | 120.0° | 120.0° |
