8I7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C26 | C30 | sing | 1.53Å | 1.53Å | |
| O29 | C9 | doub | 1.21Å | 1.23Å | |
| C13 | C16 | sing | 1.54Å | 1.53Å | |
| C13 | N13 | sing | 1.48Å | 1.46Å | |
| C16 | C34 | sing | 1.54Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| C30 | C11 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| O38 | C15 | doub | 1.21Å | 1.22Å | |
| C11 | N10 | sing | 1.46Å | 1.46Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C25 | C18 | sing | 1.53Å | 1.53Å | |
| C9 | N10 | sing | 1.35Å | 1.34Å | |
| C9 | C1 | sing | 1.51Å | 1.51Å | |
| N13 | C12 | sing | 1.35Å | 1.34Å | |
| N13 | C14 | sing | 1.48Å | 1.45Å | |
| C34 | C18 | sing | 1.53Å | 1.53Å | |
| C34 | C14 | sing | 1.54Å | 1.53Å | |
| C18 | C23 | sing | 1.53Å | 1.53Å | |
| C12 | O33 | doub | 1.21Å | 1.22Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C17 | N16 | sing | 1.47Å | 1.46Å | |
| C17 | C8 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C8 | O9 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C24 | sing | 1.51Å | 1.50Å | |
| N23 | C24 | sing | 1.34Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H38 | sing | 1.09Å | 1.10Å | |
| C8 | H39 | sing | 1.09Å | 1.10Å | |
| C8 | H40 | sing | 1.09Å | 1.10Å | |
| N10 | H41 | sing | 0.97Å | 1.00Å | |
| N16 | H42 | sing | 0.97Å | 1.00Å | |
| N23 | H43 | sing | 0.97Å | 1.00Å | |
| O9 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C30 | C26 | 107.0° | 109.5° |
| C32 | C30 | C11 | 109.5° | 109.4° |
| C32 | C30 | C31 | 108.9° | 109.5° |
| C30 | C32 | H32 | 109.5° | 109.5° |
| C30 | C32 | H33 | 109.5° | 109.5° |
| C30 | C32 | H34 | 109.5° | 109.5° |
| C26 | C30 | C11 | 109.8° | 109.5° |
| C26 | C30 | C31 | 108.1° | 109.5° |
| C30 | C26 | H23 | 109.5° | 109.4° |
| C30 | C26 | H24 | 109.4° | 109.5° |
| C30 | C26 | H25 | 109.4° | 109.4° |
| O29 | C9 | N10 | 122.5° | 120.0° |
| O29 | C9 | C1 | 120.0° | 120.0° |
| C16 | C13 | N13 | 106.7° | 104.6° |
| C13 | C16 | C34 | 106.7° | 105.0° |
| C13 | C16 | C18 | 115.8° | 118.1° |
| C16 | C13 | H4 | 110.1° | 110.4° |
| C16 | C13 | H5 | 110.1° | 110.4° |
| C13 | C16 | H7 | 119.9° | 117.6° |
| C13 | N13 | C12 | 127.7° | 127.9° |
| C13 | N13 | C14 | 112.6° | 104.3° |
| N13 | C13 | H4 | 110.2° | 110.4° |
| N13 | C13 | H5 | 110.1° | 110.4° |
| C34 | C16 | C18 | 60.0° | 59.7° |
| C16 | C34 | C18 | 60.3° | 59.7° |
| C16 | C34 | C14 | 107.4° | 104.9° |
| C34 | C16 | H7 | 119.8° | 121.8° |
| C16 | C34 | H35 | 119.6° | 121.8° |
| C16 | C18 | C25 | 109.7° | 117.4° |
| C16 | C18 | C34 | 59.7° | 60.6° |
| C16 | C18 | C23 | 115.7° | 117.5° |
| C18 | C16 | H7 | 119.6° | 120.3° |
| C11 | C30 | C31 | 113.3° | 109.5° |
| C30 | C11 | N10 | 112.8° | 109.5° |
| C30 | C11 | C12 | 114.5° | 109.4° |
| C30 | C11 | H3 | 106.2° | 109.5° |
| C30 | C31 | H29 | 109.5° | 109.5° |
| C30 | C31 | H30 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.4° | 109.5° |
| O38 | C15 | C14 | 120.0° | 120.0° |
| O38 | C15 | N16 | 121.9° | 120.0° |
| N10 | C11 | C12 | 109.0° | 109.5° |
| C11 | N10 | C9 | 120.6° | 120.0° |
| N10 | C11 | H3 | 107.2° | 109.5° |
| C11 | N10 | H41 | 119.7° | 120.0° |
| C11 | C12 | N13 | 117.5° | 120.0° |
| C11 | C12 | O33 | 119.8° | 120.0° |
| C12 | C11 | H3 | 106.7° | 109.5° |
| C25 | C18 | C34 | 120.0° | 117.4° |
| C25 | C18 | C23 | 114.4° | 115.5° |
| C18 | C25 | H20 | 109.5° | 109.5° |
| C18 | C25 | H21 | 109.4° | 109.4° |
| C18 | C25 | H22 | 109.4° | 109.5° |
| N10 | C9 | C1 | 117.5° | 120.0° |
| C9 | N10 | H41 | 119.7° | 120.0° |
| C9 | C1 | C2 | 110.9° | 109.4° |
| C9 | C1 | H1 | 109.1° | 109.4° |
| C9 | C1 | H2 | 109.1° | 109.4° |
| C12 | N13 | C14 | 119.7° | 127.8° |
| N13 | C12 | O33 | 122.6° | 120.0° |
| N13 | C14 | C34 | 106.3° | 104.7° |
| N13 | C14 | C15 | 108.4° | 110.5° |
| N13 | C14 | H6 | 111.2° | 110.4° |
| C18 | C34 | C14 | 115.8° | 118.1° |
| C34 | C18 | C23 | 123.0° | 117.5° |
| C18 | C34 | H35 | 119.5° | 119.5° |
| C34 | C14 | C15 | 110.4° | 110.4° |
| C34 | C14 | H6 | 110.0° | 110.4° |
| C14 | C34 | H35 | 119.5° | 118.3° |
| C18 | C23 | H17 | 109.5° | 109.4° |
| C18 | C23 | H18 | 109.5° | 109.5° |
| C18 | C23 | H19 | 109.5° | 109.5° |
| C14 | C15 | N16 | 118.1° | 120.0° |
| C15 | C14 | H6 | 110.4° | 110.3° |
| C15 | N16 | C17 | 121.1° | 120.0° |
| C15 | N16 | H42 | 119.5° | 120.0° |
| C1 | C2 | C3 | 110.4° | 109.4° |
| C1 | C2 | C4 | 111.5° | 109.5° |
| C2 | C1 | H1 | 109.1° | 109.5° |
| C2 | C1 | H2 | 109.1° | 109.5° |
| C1 | C2 | H11 | 108.1° | 109.5° |
| C22 | C21 | C20 | 104.4° | 101.7° |
| C21 | C22 | N23 | 104.8° | 105.5° |
| C22 | C21 | H13 | 110.7° | 111.0° |
| C22 | C21 | H14 | 110.7° | 111.0° |
| C21 | C22 | H15 | 110.6° | 110.3° |
| C21 | C22 | H16 | 110.6° | 110.2° |
| C21 | C20 | C19 | 112.4° | 110.5° |
| C21 | C20 | C24 | 103.7° | 104.2° |
| C21 | C20 | H12 | 108.8° | 110.6° |
| C20 | C21 | H13 | 110.7° | 111.0° |
| C20 | C21 | H14 | 110.7° | 110.9° |
| C22 | N23 | C24 | 112.0° | 111.3° |
| N23 | C22 | H15 | 110.6° | 110.2° |
| N23 | C22 | H16 | 110.7° | 110.3° |
| C22 | N23 | H43 | 124.0° | 124.3° |
| C3 | C2 | C4 | 110.6° | 109.5° |
| C3 | C2 | H11 | 108.1° | 109.5° |
| C2 | C3 | H26 | 109.5° | 109.5° |
| C2 | C3 | H27 | 109.5° | 109.5° |
| C2 | C3 | H28 | 109.5° | 109.5° |
| N16 | C17 | C8 | 109.1° | 109.4° |
| N16 | C17 | C19 | 110.4° | 109.5° |
| N16 | C17 | H8 | 109.6° | 109.5° |
| C17 | N16 | H42 | 119.4° | 120.0° |
| C8 | C17 | C19 | 110.3° | 109.5° |
| C17 | C8 | O9 | 111.1° | 109.4° |
| C8 | C17 | H8 | 108.7° | 109.5° |
| C17 | C8 | H39 | 109.1° | 109.5° |
| C17 | C8 | H40 | 109.1° | 109.4° |
| C17 | C19 | C20 | 109.0° | 109.5° |
| C19 | C17 | H8 | 108.7° | 109.5° |
| C17 | C19 | H9 | 109.6° | 109.5° |
| C17 | C19 | H10 | 109.6° | 109.5° |
| C4 | C2 | H11 | 108.1° | 109.5° |
| C2 | C4 | H36 | 109.5° | 109.4° |
| C2 | C4 | H37 | 109.5° | 109.5° |
| C2 | C4 | H38 | 109.5° | 109.5° |
| O9 | C8 | H39 | 109.0° | 109.5° |
| O9 | C8 | H40 | 109.1° | 109.5° |
| C8 | O9 | H44 | 109.5° | 114.0° |
| C19 | C20 | C24 | 113.6° | 110.5° |
| C20 | C19 | H9 | 109.6° | 109.4° |
| C20 | C19 | H10 | 109.6° | 109.5° |
| C19 | C20 | H12 | 109.0° | 110.4° |
| C20 | C24 | N23 | 110.7° | 110.1° |
| C20 | C24 | O26 | 122.5° | 125.0° |
| C24 | C20 | H12 | 109.2° | 110.5° |
| N23 | C24 | O26 | 126.7° | 124.9° |
| C24 | N23 | H43 | 124.0° | 124.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 110.4° |
| H9 | C19 | H10 | 109.4° | 109.4° |
| H13 | C21 | H14 | 109.5° | 110.9° |
| H15 | C22 | H16 | 109.5° | 110.3° |
| H17 | C23 | H18 | 109.4° | 109.5° |
| H17 | C23 | H19 | 109.5° | 109.4° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H20 | C25 | H22 | 109.4° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H23 | C26 | H25 | 109.5° | 109.5° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H26 | C3 | H27 | 109.5° | 109.4° |
| H26 | C3 | H28 | 109.4° | 109.5° |
| H27 | C3 | H28 | 109.5° | 109.4° |
| H29 | C31 | H30 | 109.5° | 109.5° |
| H29 | C31 | H31 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.4° |
| H32 | C32 | H33 | 109.4° | 109.4° |
| H32 | C32 | H34 | 109.5° | 109.4° |
| H33 | C32 | H34 | 109.4° | 109.5° |
| H36 | C4 | H37 | 109.5° | 109.5° |
| H36 | C4 | H38 | 109.5° | 109.5° |
| H37 | C4 | H38 | 109.4° | 109.5° |
| H39 | C8 | H40 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C30 | C26 | C11 | 118.7° | 119.9° |
| C32 | C30 | C26 | C31 | 117.1° | 120.0° |
| C32 | C30 | C11 | C31 | 121.8° | 120.0° |
| C32 | C30 | C11 | N10 | 64.8° | 65.2° |
| C32 | C30 | C11 | C12 | 169.8° | 174.8° |
| C32 | C30 | C11 | H3 | 52.4° | 54.8° |
| C32 | C30 | C26 | H23 | 180.0° | 180.0° |
| C32 | C30 | C26 | H24 | 60.0° | 60.0° |
| C32 | C30 | C26 | H25 | 60.0° | 60.0° |
| C32 | C30 | C31 | H29 | 180.0° | 178.4° |
| C32 | C30 | C31 | H30 | 60.0° | 61.5° |
| C32 | C30 | C31 | H31 | 60.0° | 58.4° |
| C30 | C32 | H32 | H33 | 120.0° | 120.0° |
| C30 | C32 | H32 | H34 | 120.0° | 120.0° |
| C30 | C32 | H33 | H34 | 120.0° | 120.1° |
| C26 | C30 | C11 | C31 | 121.0° | 120.0° |
| C26 | C30 | C11 | N10 | 178.0° | 54.8° |
| C26 | C30 | C11 | C12 | 52.6° | 65.2° |
| C26 | C30 | C11 | H3 | 64.8° | 174.8° |
| C30 | C26 | H23 | H24 | 120.0° | 120.0° |
| C30 | C26 | H23 | H25 | 120.0° | 119.9° |
| C30 | C26 | H24 | H25 | 120.0° | 120.0° |
| C26 | C30 | C31 | H29 | 64.1° | 58.4° |
| C26 | C30 | C31 | H30 | 55.9° | 178.5° |
| C26 | C30 | C31 | H31 | 175.9° | 61.6° |
| C26 | C30 | C32 | H32 | 180.0° | 60.0° |
| C26 | C30 | C32 | H33 | 60.0° | 179.9° |
| C26 | C30 | C32 | H34 | 60.0° | 59.9° |
| O29 | C9 | N10 | C11 | 5.9° | 0.0° |
| O29 | C9 | N10 | C1 | 179.3° | 180.0° |
| O29 | C9 | C1 | C2 | 106.7° | 0.0° |
| O29 | C9 | C1 | H1 | 133.1° | 120.0° |
| O29 | C9 | C1 | H2 | 13.5° | 120.0° |
| O29 | C9 | N10 | H41 | 174.1° | 180.0° |
| C16 | C13 | N13 | H4 | 119.6° | 118.8° |
| C16 | C13 | N13 | H5 | 119.6° | 118.8° |
| C13 | C16 | C34 | C18 | 110.6° | 114.1° |
| C13 | C16 | C34 | H7 | 140.4° | 136.9° |
| C13 | C16 | C18 | H7 | 155.5° | 156.9° |
| C13 | C16 | C18 | C25 | 150.9° | 160.8° |
| C16 | C13 | N13 | C12 | 171.9° | 140.5° |
| C16 | C13 | N13 | C14 | 6.2° | 39.6° |
| C13 | C16 | C34 | C14 | 0.4° | 0.0° |
| C13 | C16 | C18 | C23 | 19.7° | 16.1° |
| C16 | C13 | H4 | H5 | 121.2° | 122.5° |
| C13 | C16 | C34 | H35 | 140.2° | 137.9° |
| N13 | C13 | C16 | C34 | 3.8° | 23.9° |
| N13 | C13 | C16 | C18 | 60.4° | 39.4° |
| C13 | N13 | C12 | C11 | 7.9° | 5.1° |
| C13 | N13 | C12 | C14 | 178.0° | 179.9° |
| C13 | N13 | C14 | C34 | 6.0° | 39.6° |
| C13 | N13 | C12 | O33 | 169.3° | 174.9° |
| C13 | N13 | C14 | C15 | 112.7° | 79.3° |
| N13 | C13 | H4 | H5 | 121.3° | 122.4° |
| C13 | N13 | C14 | H6 | 125.7° | 158.4° |
| N13 | C13 | C16 | H7 | 144.2° | 163.0° |
| C34 | C16 | C18 | H7 | 109.4° | 111.5° |
| C16 | C34 | C18 | C25 | 96.5° | 107.6° |
| C16 | C34 | C14 | N13 | 3.3° | 23.9° |
| C16 | C34 | C18 | C14 | 96.1° | 91.5° |
| C16 | C34 | C18 | H35 | 109.3° | 111.8° |
| C16 | C34 | C14 | H35 | 140.6° | 139.7° |
| C34 | C16 | C18 | C23 | 114.8° | 107.7° |
| C16 | C34 | C14 | C15 | 114.1° | 95.1° |
| C34 | C16 | C13 | H4 | 115.8° | 94.9° |
| C34 | C16 | C13 | H5 | 123.4° | 142.7° |
| C16 | C34 | C14 | H6 | 123.7° | 142.7° |
| C16 | C18 | C25 | C23 | 131.9° | 145.4° |
| C18 | C16 | C13 | H4 | 180.0° | 158.2° |
| C18 | C16 | C13 | H5 | 59.2° | 79.3° |
| C16 | C18 | C23 | H17 | 180.0° | 111.4° |
| C16 | C18 | C23 | H18 | 60.0° | 128.6° |
| C16 | C18 | C23 | H19 | 60.0° | 8.6° |
| C16 | C18 | C25 | H20 | 180.0° | 8.6° |
| C16 | C18 | C25 | H21 | 60.0° | 128.6° |
| C16 | C18 | C25 | H22 | 60.0° | 111.4° |
| C30 | C11 | N10 | C12 | 128.3° | 120.0° |
| C30 | C11 | N10 | H3 | 116.6° | 120.0° |
| C30 | C11 | C12 | H3 | 117.1° | 120.0° |
| C30 | C11 | N10 | C9 | 113.8° | 85.0° |
| C30 | C11 | C12 | N13 | 111.3° | 92.0° |
| C30 | C11 | C12 | O33 | 71.4° | 88.0° |
| C11 | C30 | C26 | H23 | 61.3° | 60.0° |
| C11 | C30 | C26 | H24 | 58.7° | 180.0° |
| C11 | C30 | C26 | H25 | 178.7° | 60.0° |
| C11 | C30 | C31 | H29 | 57.9° | 61.6° |
| C11 | C30 | C31 | H30 | 177.9° | 58.4° |
| C11 | C30 | C31 | H31 | 62.1° | 178.4° |
| C11 | C30 | C32 | H32 | 61.1° | 180.0° |
| C11 | C30 | C32 | H33 | 178.9° | 60.1° |
| C11 | C30 | C32 | H34 | 59.0° | 60.1° |
| C30 | C11 | N10 | H41 | 66.2° | 94.9° |
| C31 | C30 | C11 | N10 | 57.0° | 174.8° |
| C31 | C30 | C11 | C12 | 68.5° | 54.8° |
| C31 | C30 | C11 | H3 | 174.1° | 65.2° |
| C31 | C30 | C26 | H23 | 62.9° | 60.0° |
| C31 | C30 | C26 | H24 | 177.1° | 60.0° |
| C31 | C30 | C26 | H25 | 57.1° | 180.0° |
| C30 | C31 | H29 | H30 | 120.0° | 120.0° |
| C30 | C31 | H29 | H31 | 120.0° | 120.0° |
| C30 | C31 | H30 | H31 | 120.0° | 120.0° |
| C31 | C30 | C32 | H32 | 63.3° | 60.0° |
| C31 | C30 | C32 | H33 | 56.7° | 60.0° |
| C31 | C30 | C32 | H34 | 176.6° | 179.9° |
| O38 | C15 | C14 | N13 | 47.6° | 17.0° |
| O38 | C15 | C14 | C34 | 68.4° | 98.4° |
| O38 | C15 | C14 | N16 | 179.9° | 179.9° |
| O38 | C15 | N16 | C17 | 3.5° | 0.1° |
| O38 | C15 | C14 | H6 | 169.6° | 139.3° |
| O38 | C15 | N16 | H42 | 176.5° | 180.0° |
| N10 | C11 | C12 | H3 | 115.5° | 120.0° |
| C11 | N10 | C9 | H41 | 180.0° | 179.9° |
| C11 | N10 | C9 | C1 | 174.8° | 180.0° |
| N10 | C11 | C12 | N13 | 121.3° | 148.0° |
| N10 | C11 | C12 | O33 | 56.0° | 32.0° |
| C12 | C11 | N10 | C9 | 117.9° | 155.0° |
| C11 | C12 | N13 | O33 | 177.2° | 180.0° |
| C11 | C12 | N13 | C14 | 174.1° | 175.0° |
| C12 | C11 | N10 | H41 | 62.1° | 25.0° |
| C25 | C18 | C34 | C23 | 160.9° | 144.7° |
| C25 | C18 | C34 | C14 | 167.4° | 160.8° |
| C25 | C18 | C16 | H7 | 4.6° | 3.9° |
| C25 | C18 | C23 | H17 | 51.1° | 34.0° |
| C25 | C18 | C23 | H18 | 171.1° | 86.0° |
| C25 | C18 | C23 | H19 | 68.9° | 154.0° |
| C18 | C25 | H20 | H21 | 120.0° | 120.0° |
| C18 | C25 | H20 | H22 | 120.0° | 120.0° |
| C18 | C25 | H21 | H22 | 120.0° | 120.0° |
| C25 | C18 | C34 | H35 | 12.9° | 4.1° |
| N10 | C9 | C1 | C2 | 73.9° | 180.0° |
| N10 | C9 | C1 | H1 | 46.3° | 60.0° |
| N10 | C9 | C1 | H2 | 165.8° | 60.0° |
| C9 | N10 | C11 | H3 | 2.8° | 35.0° |
| C9 | C1 | C2 | H1 | 120.2° | 120.0° |
| C9 | C1 | C2 | H2 | 120.2° | 119.9° |
| C9 | C1 | C2 | C3 | 33.0° | 175.0° |
| C9 | C1 | C2 | C4 | 156.4° | 65.0° |
| C9 | C1 | H1 | H2 | 119.3° | 120.0° |
| C9 | C1 | C2 | H11 | 85.0° | 55.0° |
| C1 | C9 | N10 | H41 | 5.2° | 0.0° |
| C12 | N13 | C14 | C34 | 172.4° | 140.5° |
| C12 | N13 | C14 | C15 | 68.9° | 100.7° |
| N13 | C12 | C11 | H3 | 5.8° | 28.0° |
| C12 | N13 | C13 | H4 | 68.5° | 100.7° |
| C12 | N13 | C13 | H5 | 52.4° | 21.7° |
| C12 | N13 | C14 | H6 | 52.6° | 21.6° |
| N13 | C14 | C34 | C18 | 61.6° | 39.4° |
| N13 | C14 | C34 | C15 | 117.3° | 118.9° |
| N13 | C14 | C34 | H6 | 120.5° | 118.8° |
| C14 | N13 | C12 | O33 | 8.7° | 5.0° |
| N13 | C14 | C15 | H6 | 122.0° | 122.4° |
| N13 | C14 | C15 | N16 | 132.3° | 163.1° |
| C14 | N13 | C13 | H4 | 113.3° | 79.2° |
| C14 | N13 | C13 | H5 | 125.8° | 158.4° |
| N13 | C14 | C34 | H35 | 143.9° | 163.6° |
| C18 | C34 | C14 | H35 | 154.5° | 157.0° |
| C18 | C34 | C14 | C15 | 178.9° | 158.4° |
| C18 | C34 | C14 | H6 | 58.9° | 79.4° |
| C34 | C18 | C23 | H17 | 110.7° | 179.4° |
| C34 | C18 | C23 | H18 | 9.2° | 59.4° |
| C34 | C18 | C23 | H19 | 129.2° | 60.7° |
| C34 | C18 | C25 | H20 | 114.3° | 60.6° |
| C34 | C18 | C25 | H21 | 125.7° | 59.4° |
| C34 | C18 | C25 | H22 | 5.7° | 179.4° |
| C14 | C34 | C18 | C23 | 6.5° | 16.1° |
| C34 | C14 | C15 | H6 | 122.0° | 122.3° |
| C34 | C14 | C15 | N16 | 111.7° | 81.6° |
| C14 | C34 | C16 | H7 | 140.8° | 136.9° |
| C23 | C18 | C16 | H7 | 135.8° | 140.8° |
| C18 | C23 | H17 | H18 | 120.0° | 120.0° |
| C18 | C23 | H17 | H19 | 120.0° | 120.0° |
| C18 | C23 | H18 | H19 | 120.0° | 120.0° |
| C23 | C18 | C25 | H20 | 48.1° | 154.0° |
| C23 | C18 | C25 | H21 | 71.9° | 86.0° |
| C23 | C18 | C25 | H22 | 168.1° | 34.0° |
| C23 | C18 | C34 | H35 | 148.0° | 140.6° |
| O33 | C12 | C11 | H3 | 171.5° | 152.0° |
| C14 | C15 | N16 | C17 | 176.6° | 180.0° |
| C15 | C14 | C34 | H35 | 26.6° | 44.6° |
| C14 | C15 | N16 | H42 | 3.4° | 0.1° |
| C15 | N16 | C17 | H42 | 180.0° | 179.9° |
| C15 | N16 | C17 | C8 | 110.7° | 85.0° |
| C15 | N16 | C17 | C19 | 128.0° | 155.0° |
| N16 | C15 | C14 | H6 | 10.2° | 40.7° |
| C15 | N16 | C17 | H8 | 8.2° | 35.0° |
| C1 | C2 | C3 | C4 | 123.9° | 120.0° |
| C1 | C2 | C3 | H11 | 118.0° | 120.0° |
| C1 | C2 | C4 | H11 | 118.6° | 120.0° |
| C2 | C1 | H1 | H2 | 119.4° | 120.0° |
| C1 | C2 | C3 | H26 | 180.0° | 60.0° |
| C1 | C2 | C3 | H27 | 60.0° | 180.0° |
| C1 | C2 | C3 | H28 | 60.0° | 60.0° |
| C1 | C2 | C4 | H36 | 180.0° | 60.0° |
| C1 | C2 | C4 | H37 | 60.0° | 180.0° |
| C1 | C2 | C4 | H38 | 60.0° | 60.0° |
| C22 | C21 | C20 | H13 | 119.2° | 118.1° |
| C22 | C21 | C20 | H14 | 119.2° | 118.2° |
| C21 | C22 | N23 | H15 | 119.2° | 119.1° |
| C21 | C22 | N23 | H16 | 119.3° | 119.0° |
| C22 | C21 | C20 | C19 | 141.7° | 93.9° |
| C22 | C21 | C20 | C24 | 18.6° | 24.8° |
| C21 | C22 | N23 | C24 | 14.9° | 17.0° |
| C22 | C21 | C20 | H12 | 97.6° | 143.6° |
| C22 | C21 | H13 | H14 | 122.3° | 123.9° |
| C21 | C22 | H15 | H16 | 122.2° | 122.0° |
| C21 | C22 | N23 | H43 | 165.2° | 163.0° |
| C20 | C21 | C22 | N23 | 20.3° | 25.4° |
| C21 | C20 | C19 | C17 | 72.0° | 178.8° |
| C21 | C20 | C19 | C24 | 117.3° | 114.8° |
| C21 | C20 | C19 | H12 | 120.7° | 122.7° |
| C21 | C20 | C24 | H12 | 115.9° | 118.8° |
| C21 | C20 | C24 | N23 | 10.5° | 16.2° |
| C21 | C20 | C24 | O26 | 170.2° | 163.7° |
| C21 | C20 | C19 | H9 | 168.0° | 61.2° |
| C21 | C20 | C19 | H10 | 47.9° | 58.7° |
| C20 | C21 | H13 | H14 | 122.3° | 123.7° |
| C20 | C21 | C22 | H15 | 139.6° | 93.6° |
| C20 | C21 | C22 | H16 | 98.9° | 144.4° |
| C22 | N23 | C24 | C20 | 2.8° | 0.4° |
| C22 | N23 | C24 | H43 | 180.0° | 180.0° |
| C22 | N23 | C24 | O26 | 176.5° | 179.6° |
| N23 | C22 | C21 | H13 | 139.5° | 143.5° |
| N23 | C22 | C21 | H14 | 98.9° | 92.7° |
| N23 | C22 | H15 | H16 | 122.2° | 121.9° |
| C3 | C2 | C4 | H11 | 118.1° | 120.0° |
| C3 | C2 | C1 | H1 | 153.1° | 65.1° |
| C3 | C2 | C1 | H2 | 87.3° | 55.0° |
| C2 | C3 | H26 | H27 | 120.0° | 120.0° |
| C2 | C3 | H26 | H28 | 120.0° | 120.1° |
| C2 | C3 | H27 | H28 | 120.0° | 120.1° |
| C3 | C2 | C4 | H36 | 56.7° | 180.0° |
| C3 | C2 | C4 | H37 | 176.8° | 60.0° |
| C3 | C2 | C4 | H38 | 63.3° | 60.0° |
| N16 | C17 | C8 | C19 | 121.4° | 120.0° |
| N16 | C17 | C8 | H8 | 119.5° | 120.0° |
| N16 | C17 | C19 | H8 | 120.3° | 120.0° |
| N16 | C17 | C8 | O9 | 169.9° | 65.0° |
| N16 | C17 | C19 | C20 | 63.6° | 65.0° |
| N16 | C17 | C19 | H9 | 56.3° | 55.0° |
| N16 | C17 | C19 | H10 | 176.4° | 174.9° |
| N16 | C17 | C8 | H39 | 49.7° | 55.0° |
| N16 | C17 | C8 | H40 | 69.8° | 175.0° |
| C8 | C17 | C19 | H8 | 119.1° | 120.0° |
| C17 | C8 | O9 | H39 | 120.3° | 120.0° |
| C17 | C8 | O9 | H40 | 120.3° | 119.9° |
| C8 | C17 | C19 | C20 | 175.8° | 175.1° |
| C8 | C17 | C19 | H9 | 64.3° | 65.0° |
| C8 | C17 | C19 | H10 | 55.8° | 55.0° |
| C17 | C8 | H39 | H40 | 119.3° | 120.0° |
| C8 | C17 | N16 | H42 | 69.3° | 95.1° |
| C17 | C8 | O9 | H44 | 180.0° | 180.0° |
| C19 | C17 | C8 | O9 | 48.6° | 55.0° |
| C17 | C19 | C20 | H9 | 119.9° | 120.0° |
| C17 | C19 | C20 | H10 | 120.0° | 120.0° |
| C17 | C19 | C20 | C24 | 170.6° | 66.4° |
| C17 | C19 | H9 | H10 | 120.2° | 120.0° |
| C17 | C19 | C20 | H12 | 48.7° | 56.1° |
| C19 | C17 | C8 | H39 | 71.7° | 175.0° |
| C19 | C17 | C8 | H40 | 168.8° | 65.0° |
| C19 | C17 | N16 | H42 | 52.0° | 24.9° |
| C4 | C2 | C1 | H1 | 83.5° | 54.9° |
| C4 | C2 | C1 | H2 | 36.1° | 175.0° |
| C4 | C2 | C3 | H26 | 56.1° | 60.0° |
| C4 | C2 | C3 | H27 | 63.9° | 60.0° |
| C4 | C2 | C3 | H28 | 176.1° | 180.0° |
| C2 | C4 | H36 | H37 | 120.0° | 120.0° |
| C2 | C4 | H36 | H38 | 120.0° | 120.0° |
| C2 | C4 | H37 | H38 | 120.0° | 120.0° |
| O9 | C8 | C17 | H8 | 70.5° | 175.0° |
| O9 | C8 | H39 | H40 | 119.2° | 120.0° |
| C19 | C20 | C24 | H12 | 121.8° | 122.5° |
| C19 | C20 | C24 | N23 | 132.8° | 102.4° |
| C19 | C20 | C24 | O26 | 47.9° | 77.6° |
| C20 | C19 | C17 | H8 | 56.7° | 55.0° |
| C20 | C19 | H9 | H10 | 120.2° | 120.0° |
| C19 | C20 | C21 | H13 | 99.1° | 24.2° |
| C19 | C20 | C21 | H14 | 22.5° | 147.9° |
| C20 | C24 | N23 | O26 | 179.2° | 180.0° |
| C24 | C20 | C19 | H9 | 50.7° | 53.5° |
| C24 | C20 | C19 | H10 | 69.4° | 173.5° |
| C24 | C20 | C21 | H13 | 137.8° | 142.9° |
| C24 | C20 | C21 | H14 | 100.6° | 93.4° |
| C20 | C24 | N23 | H43 | 177.3° | 179.6° |
| N23 | C24 | C20 | H12 | 105.4° | 135.1° |
| C24 | N23 | C22 | H15 | 134.1° | 102.0° |
| C24 | N23 | C22 | H16 | 104.4° | 136.0° |
| O26 | C24 | C20 | H12 | 73.8° | 44.9° |
| O26 | C24 | N23 | H43 | 3.5° | 0.4° |
| H1 | C1 | C2 | H11 | 35.2° | 175.0° |
| H2 | C1 | C2 | H11 | 154.7° | 64.9° |
| H3 | C11 | N10 | H41 | 177.2° | 145.0° |
| H4 | C13 | C16 | H7 | 24.6° | 44.2° |
| H5 | C13 | C16 | H7 | 96.3° | 78.2° |
| H6 | C14 | C34 | H35 | 95.6° | 77.6° |
| H7 | C16 | C34 | H35 | 0.2° | 1.0° |
| H8 | C17 | C19 | H9 | 176.6° | 175.0° |
| H8 | C17 | C19 | H10 | 63.3° | 65.1° |
| H8 | C17 | C8 | H39 | 169.2° | 65.0° |
| H8 | C17 | C8 | H40 | 49.7° | 55.0° |
| H8 | C17 | N16 | H42 | 171.8° | 144.9° |
| H9 | C19 | C20 | H12 | 71.2° | 176.1° |
| H10 | C19 | C20 | H12 | 168.7° | 63.9° |
| H11 | C2 | C3 | H26 | 62.0° | 180.0° |
| H11 | C2 | C3 | H27 | 177.9° | 60.0° |
| H11 | C2 | C3 | H28 | 57.9° | 60.0° |
| H11 | C2 | C4 | H36 | 61.4° | 60.0° |
| H11 | C2 | C4 | H37 | 58.6° | 60.0° |
| H11 | C2 | C4 | H38 | 178.6° | 180.0° |
| H12 | C20 | C21 | H13 | 21.6° | 98.3° |
| H12 | C20 | C21 | H14 | 143.3° | 25.4° |
| H13 | C21 | C22 | H15 | 101.2° | 24.5° |
| H13 | C21 | C22 | H16 | 20.3° | 97.5° |
| H14 | C21 | C22 | H15 | 20.4° | 148.3° |
| H14 | C21 | C22 | H16 | 141.9° | 26.4° |
| H15 | C22 | N23 | H43 | 45.9° | 78.0° |
| H16 | C22 | N23 | H43 | 75.6° | 43.9° |
| H17 | C23 | H18 | H19 | 120.0° | 120.0° |
| H20 | C25 | H21 | H22 | 120.0° | 120.0° |
| H23 | C26 | H24 | H25 | 120.0° | 120.0° |
| H26 | C3 | H27 | H28 | 120.0° | 119.9° |
| H29 | C31 | H30 | H31 | 120.0° | 120.0° |
| H32 | C32 | H33 | H34 | 120.0° | 119.9° |
| H36 | C4 | H37 | H38 | 120.0° | 120.0° |
| H39 | C8 | O9 | H44 | 59.8° | 60.0° |
| H40 | C8 | O9 | H44 | 59.7° | 60.0° |
