I68
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O38 | C15 | doub | 1.21Å | 1.23Å | |
| O9 | C8 | sing | 1.43Å | 1.44Å | |
| C37 | C35 | sing | 1.53Å | 1.53Å | |
| C8 | C17 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C15 | N16 | sing | 1.35Å | 1.34Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C35 | C13 | sing | 1.53Å | 1.52Å | |
| C17 | N16 | sing | 1.47Å | 1.47Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C14 | N13 | sing | 1.47Å | 1.45Å | |
| N13 | C12 | sing | 1.35Å | 1.33Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C30 | C10 | sing | 1.53Å | 1.53Å | |
| C30 | C11 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | O33 | doub | 1.21Å | 1.22Å | |
| C20 | C24 | sing | 1.51Å | 1.49Å | |
| C11 | N10 | sing | 1.46Å | 1.45Å | |
| C22 | N23 | sing | 1.47Å | 1.46Å | |
| O29 | C9 | doub | 1.22Å | 1.23Å | |
| C24 | N23 | sing | 1.34Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.22Å | |
| N10 | C9 | sing | 1.35Å | 1.34Å | |
| C9 | N8 | sing | 1.35Å | 1.34Å | |
| C3 | C1 | sing | 1.53Å | 1.53Å | |
| N8 | C1 | sing | 1.46Å | 1.46Å | |
| C4 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | 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 | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H39 | sing | 1.09Å | 1.10Å | |
| C8 | H40 | sing | 1.09Å | 1.10Å | |
| C8 | H41 | sing | 1.09Å | 1.10Å | |
| N10 | H42 | sing | 0.97Å | 1.00Å | |
| N13 | H43 | sing | 0.97Å | 1.00Å | |
| N16 | H44 | sing | 0.97Å | 1.00Å | |
| N23 | H45 | sing | 0.97Å | 1.00Å | |
| N8 | H46 | sing | 0.97Å | 1.00Å | |
| O9 | H47 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O38 | C15 | C14 | 118.9° | 120.0° |
| O38 | C15 | N16 | 122.9° | 120.1° |
| O9 | C8 | C17 | 111.1° | 109.5° |
| O9 | C8 | H40 | 109.1° | 109.5° |
| O9 | C8 | H41 | 109.0° | 109.5° |
| C8 | O9 | H47 | 109.5° | 114.0° |
| C37 | C35 | C34 | 109.8° | 109.5° |
| C37 | C35 | C36 | 107.7° | 109.5° |
| C37 | C35 | C13 | 109.2° | 109.5° |
| C35 | C37 | H34 | 109.5° | 109.5° |
| C35 | C37 | H35 | 109.5° | 109.4° |
| C35 | C37 | H36 | 109.5° | 109.5° |
| C8 | C17 | N16 | 113.0° | 109.5° |
| C8 | C17 | C19 | 113.1° | 109.5° |
| C8 | C17 | H9 | 106.4° | 109.4° |
| C17 | C8 | H40 | 109.1° | 109.5° |
| C17 | C8 | H41 | 109.1° | 109.5° |
| C35 | C34 | C14 | 112.9° | 109.5° |
| C34 | C35 | C36 | 110.9° | 109.5° |
| C34 | C35 | C13 | 110.2° | 109.5° |
| C35 | C34 | H29 | 108.6° | 109.5° |
| C35 | C34 | H30 | 108.6° | 109.5° |
| C34 | C14 | C15 | 110.7° | 109.5° |
| C34 | C14 | N13 | 109.6° | 109.5° |
| C34 | C14 | H8 | 109.0° | 109.5° |
| C14 | C34 | H29 | 108.6° | 109.5° |
| C14 | C34 | H30 | 108.6° | 109.4° |
| C14 | C15 | N16 | 118.2° | 120.0° |
| C15 | C14 | N13 | 107.8° | 109.4° |
| C15 | C14 | H8 | 109.5° | 109.5° |
| C15 | N16 | C17 | 118.4° | 120.0° |
| C15 | N16 | H44 | 120.8° | 120.0° |
| C36 | C35 | C13 | 108.9° | 109.4° |
| C35 | C36 | H31 | 109.5° | 109.5° |
| C35 | C36 | H32 | 109.5° | 109.5° |
| C35 | C36 | H33 | 109.4° | 109.5° |
| C35 | C13 | H5 | 109.5° | 109.4° |
| C35 | C13 | H6 | 109.4° | 109.5° |
| C35 | C13 | H7 | 109.5° | 109.5° |
| N16 | C17 | C19 | 110.2° | 109.5° |
| N16 | C17 | H9 | 107.2° | 109.5° |
| C17 | N16 | H44 | 120.8° | 120.0° |
| C17 | C19 | C20 | 107.9° | 109.5° |
| C19 | C17 | H9 | 106.5° | 109.4° |
| C17 | C19 | H10 | 109.9° | 109.5° |
| C17 | C19 | H11 | 109.9° | 109.5° |
| C32 | C30 | C10 | 108.2° | 109.5° |
| C32 | C30 | C11 | 109.8° | 109.5° |
| C32 | C30 | C31 | 108.4° | 109.5° |
| C30 | C32 | H26 | 109.5° | 109.5° |
| C30 | C32 | H27 | 109.5° | 109.5° |
| C30 | C32 | H28 | 109.5° | 109.4° |
| C14 | N13 | C12 | 119.0° | 120.0° |
| N13 | C14 | H8 | 110.3° | 109.5° |
| C14 | N13 | H43 | 120.5° | 120.1° |
| N13 | C12 | C11 | 115.9° | 120.0° |
| N13 | C12 | O33 | 121.2° | 120.0° |
| C12 | N13 | H43 | 120.5° | 120.0° |
| C20 | C21 | C22 | 104.9° | 101.8° |
| C21 | C20 | C19 | 111.2° | 110.5° |
| C21 | C20 | C24 | 103.2° | 104.2° |
| C21 | C20 | H15 | 110.5° | 110.6° |
| C20 | C21 | H16 | 110.6° | 111.0° |
| C20 | C21 | H17 | 110.6° | 110.9° |
| C21 | C22 | N23 | 104.1° | 105.4° |
| C22 | C21 | H16 | 110.6° | 111.0° |
| C22 | C21 | H17 | 110.6° | 111.0° |
| C21 | C22 | H18 | 110.8° | 110.3° |
| C21 | C22 | H19 | 110.8° | 110.3° |
| C19 | C20 | C24 | 110.0° | 110.5° |
| C20 | C19 | H10 | 109.9° | 109.5° |
| C20 | C19 | H11 | 109.9° | 109.5° |
| C19 | C20 | H15 | 110.6° | 110.4° |
| C10 | C30 | C11 | 108.3° | 109.5° |
| C10 | C30 | C31 | 111.0° | 109.5° |
| C30 | C10 | H1 | 109.5° | 109.5° |
| C30 | C10 | H2 | 109.5° | 109.5° |
| C30 | C10 | H3 | 109.5° | 109.5° |
| C11 | C30 | C31 | 111.2° | 109.5° |
| C30 | C11 | C12 | 112.4° | 109.5° |
| C30 | C11 | N10 | 111.6° | 109.5° |
| C30 | C11 | H4 | 106.5° | 109.4° |
| C30 | C31 | H23 | 109.5° | 109.5° |
| C30 | C31 | H24 | 109.5° | 109.5° |
| C30 | C31 | H25 | 109.5° | 109.4° |
| C11 | C12 | O33 | 123.0° | 120.0° |
| C12 | C11 | N10 | 111.5° | 109.5° |
| C12 | C11 | H4 | 106.9° | 109.5° |
| C20 | C24 | N23 | 110.8° | 110.1° |
| C20 | C24 | O26 | 122.2° | 125.0° |
| C24 | C20 | H15 | 111.1° | 110.5° |
| C11 | N10 | C9 | 120.7° | 120.0° |
| N10 | C11 | H4 | 107.6° | 109.5° |
| C11 | N10 | H42 | 119.7° | 120.0° |
| C22 | N23 | C24 | 112.6° | 111.3° |
| N23 | C22 | H18 | 110.8° | 110.2° |
| N23 | C22 | H19 | 110.8° | 110.2° |
| C22 | N23 | H45 | 123.7° | 124.3° |
| O29 | C9 | N10 | 120.3° | 120.0° |
| O29 | C9 | N8 | 121.9° | 120.0° |
| N23 | C24 | O26 | 127.0° | 124.9° |
| C24 | N23 | H45 | 123.7° | 124.3° |
| N10 | C9 | N8 | 117.8° | 120.0° |
| C9 | N10 | H42 | 119.6° | 120.0° |
| C9 | N8 | C1 | 125.1° | 120.0° |
| C9 | N8 | H46 | 117.4° | 120.1° |
| C3 | C1 | N8 | 110.9° | 109.5° |
| C3 | C1 | C4 | 109.8° | 109.4° |
| C3 | C1 | C2 | 108.8° | 109.5° |
| C1 | C3 | H20 | 109.5° | 109.5° |
| C1 | C3 | H21 | 109.5° | 109.5° |
| C1 | C3 | H22 | 109.5° | 109.5° |
| N8 | C1 | C4 | 111.9° | 109.5° |
| N8 | C1 | C2 | 108.1° | 109.5° |
| C1 | N8 | H46 | 117.5° | 119.9° |
| C4 | C1 | C2 | 107.2° | 109.4° |
| C1 | C4 | H37 | 109.5° | 109.4° |
| C1 | C4 | H38 | 109.4° | 109.4° |
| C1 | C4 | H39 | 109.5° | 109.5° |
| C1 | C2 | H12 | 109.5° | 109.5° |
| C1 | C2 | H13 | 109.5° | 109.5° |
| C1 | C2 | H14 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.4° |
| H12 | C2 | H14 | 109.5° | 109.4° |
| H13 | C2 | H14 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.4° | 110.8° |
| H18 | C22 | H19 | 109.5° | 110.3° |
| H20 | C3 | H21 | 109.5° | 109.4° |
| H20 | C3 | H22 | 109.4° | 109.4° |
| H21 | C3 | H22 | 109.4° | 109.4° |
| H23 | C31 | H24 | 109.4° | 109.5° |
| H23 | C31 | H25 | 109.5° | 109.5° |
| H24 | C31 | H25 | 109.5° | 109.5° |
| H26 | C32 | H27 | 109.4° | 109.5° |
| H26 | C32 | H28 | 109.5° | 109.5° |
| H27 | C32 | H28 | 109.5° | 109.4° |
| H29 | C34 | H30 | 109.5° | 109.4° |
| H31 | C36 | H32 | 109.5° | 109.5° |
| H31 | C36 | H33 | 109.5° | 109.4° |
| H32 | C36 | H33 | 109.5° | 109.4° |
| H34 | C37 | H35 | 109.5° | 109.5° |
| H34 | C37 | H36 | 109.5° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| H37 | C4 | H38 | 109.5° | 109.4° |
| H37 | C4 | H39 | 109.5° | 109.5° |
| H38 | C4 | H39 | 109.5° | 109.5° |
| H40 | C8 | H41 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O38 | C15 | C14 | C34 | 56.7° | 121.0° |
| O38 | C15 | C14 | N16 | 179.6° | 180.0° |
| O38 | C15 | N16 | C17 | 7.0° | 0.0° |
| O38 | C15 | C14 | N13 | 63.2° | 1.0° |
| O38 | C15 | C14 | H8 | 176.8° | 118.9° |
| O38 | C15 | N16 | H44 | 173.0° | 180.0° |
| O9 | C8 | C17 | H40 | 120.3° | 120.0° |
| O9 | C8 | C17 | H41 | 120.2° | 120.0° |
| O9 | C8 | C17 | N16 | 178.5° | 65.0° |
| O9 | C8 | C17 | C19 | 55.4° | 55.0° |
| O9 | C8 | C17 | H9 | 61.2° | 175.0° |
| O9 | C8 | H40 | H41 | 119.2° | 120.0° |
| C37 | C35 | C34 | C36 | 119.0° | 120.0° |
| C37 | C35 | C34 | C13 | 120.4° | 120.0° |
| C37 | C35 | C34 | C14 | 178.9° | 56.1° |
| C37 | C35 | C36 | C13 | 118.4° | 120.0° |
| C37 | C35 | C13 | H5 | 180.0° | 60.0° |
| C37 | C35 | C13 | H6 | 60.0° | 60.0° |
| C37 | C35 | C13 | H7 | 60.0° | 180.0° |
| C37 | C35 | C34 | H29 | 58.4° | 176.1° |
| C37 | C35 | C34 | H30 | 60.6° | 63.9° |
| C37 | C35 | C36 | H31 | 180.0° | 163.0° |
| C37 | C35 | C36 | H32 | 60.0° | 76.9° |
| C37 | C35 | C36 | H33 | 60.0° | 43.1° |
| C35 | C37 | H34 | H35 | 120.0° | 119.9° |
| C35 | C37 | H34 | H36 | 120.0° | 120.0° |
| C35 | C37 | H35 | H36 | 120.0° | 120.0° |
| C8 | C17 | N16 | C15 | 92.4° | 85.0° |
| C8 | C17 | N16 | C19 | 127.6° | 120.0° |
| C8 | C17 | N16 | H9 | 116.9° | 120.0° |
| C8 | C17 | C19 | H9 | 116.6° | 119.9° |
| C8 | C17 | C19 | C20 | 163.7° | 175.0° |
| C8 | C17 | C19 | H10 | 76.5° | 65.0° |
| C8 | C17 | C19 | H11 | 44.0° | 55.0° |
| C17 | C8 | H40 | H41 | 119.2° | 120.0° |
| C8 | C17 | N16 | H44 | 87.6° | 95.0° |
| C17 | C8 | O9 | H47 | 180.0° | 180.0° |
| C35 | C34 | C14 | H29 | 120.5° | 120.0° |
| C35 | C34 | C14 | H30 | 120.5° | 120.0° |
| C35 | C34 | C14 | C15 | 153.7° | 57.4° |
| C34 | C35 | C36 | C13 | 121.4° | 120.0° |
| C35 | C34 | C14 | N13 | 87.5° | 62.6° |
| C34 | C35 | C13 | H5 | 59.3° | 60.0° |
| C34 | C35 | C13 | H6 | 179.3° | 180.0° |
| C34 | C35 | C13 | H7 | 60.7° | 60.0° |
| C35 | C34 | C14 | H8 | 33.2° | 177.4° |
| C35 | C34 | H29 | H30 | 118.5° | 120.0° |
| C34 | C35 | C36 | H31 | 59.8° | 43.0° |
| C34 | C35 | C36 | H32 | 60.2° | 163.1° |
| C34 | C35 | C36 | H33 | 179.8° | 77.0° |
| C34 | C35 | C37 | H34 | 180.0° | 78.5° |
| C34 | C35 | C37 | H35 | 60.0° | 161.6° |
| C34 | C35 | C37 | H36 | 60.0° | 41.6° |
| C34 | C14 | C15 | N13 | 119.9° | 120.0° |
| C34 | C14 | C15 | H8 | 120.2° | 120.0° |
| C34 | C14 | C15 | N16 | 123.8° | 58.9° |
| C14 | C34 | C35 | C36 | 62.2° | 64.0° |
| C14 | C34 | C35 | C13 | 58.5° | 176.1° |
| C34 | C14 | N13 | H8 | 120.0° | 120.0° |
| C34 | C14 | N13 | C12 | 160.2° | 70.8° |
| C14 | C34 | H29 | H30 | 118.4° | 119.9° |
| C34 | C14 | N13 | H43 | 19.8° | 109.2° |
| C14 | C15 | N16 | C17 | 172.6° | 180.0° |
| C15 | C14 | N13 | H8 | 119.5° | 120.0° |
| C15 | C14 | N13 | C12 | 79.3° | 169.2° |
| C15 | C14 | C34 | H29 | 33.2° | 62.7° |
| C15 | C14 | C34 | H30 | 85.8° | 177.4° |
| C15 | C14 | N13 | H43 | 100.7° | 10.8° |
| C14 | C15 | N16 | H44 | 7.4° | 0.0° |
| C15 | N16 | C17 | H44 | 180.0° | 180.0° |
| C15 | N16 | C17 | C19 | 140.1° | 155.0° |
| N16 | C15 | C14 | N13 | 116.4° | 178.9° |
| N16 | C15 | C14 | H8 | 3.6° | 61.1° |
| C15 | N16 | C17 | H9 | 24.5° | 35.0° |
| C36 | C35 | C13 | H5 | 62.6° | 180.0° |
| C36 | C35 | C13 | H6 | 57.4° | 60.0° |
| C36 | C35 | C13 | H7 | 177.4° | 60.0° |
| C36 | C35 | C34 | H29 | 177.4° | 56.1° |
| C36 | C35 | C34 | H30 | 58.4° | 176.1° |
| C35 | C36 | H31 | H32 | 120.0° | 120.1° |
| C35 | C36 | H31 | H33 | 120.0° | 120.0° |
| C35 | C36 | H32 | H33 | 120.0° | 120.0° |
| C36 | C35 | C37 | H34 | 59.1° | 41.5° |
| C36 | C35 | C37 | H35 | 60.9° | 78.4° |
| C36 | C35 | C37 | H36 | 179.1° | 161.6° |
| C35 | C13 | H5 | H6 | 120.0° | 120.0° |
| C35 | C13 | H5 | H7 | 120.0° | 120.0° |
| C35 | C13 | H6 | H7 | 120.0° | 120.0° |
| C13 | C35 | C34 | H29 | 62.0° | 63.9° |
| C13 | C35 | C34 | H30 | 179.0° | 56.1° |
| C13 | C35 | C36 | H31 | 61.7° | 77.0° |
| C13 | C35 | C36 | H32 | 178.3° | 43.1° |
| C13 | C35 | C36 | H33 | 58.4° | 163.1° |
| C13 | C35 | C37 | H34 | 59.0° | 161.5° |
| C13 | C35 | C37 | H35 | 179.0° | 41.5° |
| C13 | C35 | C37 | H36 | 61.0° | 78.5° |
| N16 | C17 | C19 | H9 | 115.9° | 120.0° |
| N16 | C17 | C19 | C20 | 68.8° | 65.0° |
| N16 | C17 | C19 | H10 | 51.0° | 55.0° |
| N16 | C17 | C19 | H11 | 171.4° | 175.0° |
| N16 | C17 | C8 | H40 | 58.3° | 55.0° |
| N16 | C17 | C8 | H41 | 61.2° | 175.0° |
| C17 | C19 | C20 | C21 | 71.3° | 178.8° |
| C17 | C19 | C20 | H10 | 119.8° | 120.0° |
| C17 | C19 | C20 | H11 | 119.8° | 120.0° |
| C17 | C19 | C20 | C24 | 175.0° | 66.5° |
| C17 | C19 | H10 | H11 | 120.7° | 120.0° |
| C17 | C19 | C20 | H15 | 51.9° | 56.1° |
| C19 | C17 | C8 | H40 | 175.7° | 175.0° |
| C19 | C17 | C8 | H41 | 64.8° | 65.0° |
| C19 | C17 | N16 | H44 | 39.9° | 25.0° |
| C32 | C30 | C10 | C11 | 118.9° | 120.0° |
| C32 | C30 | C10 | C31 | 118.8° | 120.0° |
| C32 | C30 | C11 | C31 | 119.9° | 120.0° |
| C32 | C30 | C11 | C12 | 54.1° | 63.8° |
| C32 | C30 | C11 | N10 | 179.8° | 176.2° |
| C32 | C30 | C10 | H1 | 180.0° | 60.0° |
| C32 | C30 | C10 | H2 | 60.0° | 60.0° |
| C32 | C30 | C10 | H3 | 60.0° | 179.9° |
| C32 | C30 | C11 | H4 | 62.7° | 56.2° |
| C32 | C30 | C31 | H23 | 180.0° | 60.0° |
| C32 | C30 | C31 | H24 | 60.0° | 60.0° |
| C32 | C30 | C31 | H25 | 60.0° | 180.0° |
| C30 | C32 | H26 | H27 | 120.0° | 120.0° |
| C30 | C32 | H26 | H28 | 120.0° | 119.9° |
| C30 | C32 | H27 | H28 | 120.0° | 119.9° |
| C14 | N13 | C12 | H43 | 180.0° | 180.0° |
| C14 | N13 | C12 | C11 | 176.7° | 175.2° |
| C14 | N13 | C12 | O33 | 3.7° | 4.8° |
| N13 | C14 | C34 | H29 | 151.9° | 177.3° |
| N13 | C14 | C34 | H30 | 33.0° | 57.4° |
| N13 | C12 | C11 | C30 | 103.7° | 78.9° |
| N13 | C12 | C11 | O33 | 179.6° | 180.0° |
| N13 | C12 | C11 | N10 | 130.1° | 161.1° |
| N13 | C12 | C11 | H4 | 12.8° | 41.0° |
| C12 | N13 | C14 | H8 | 40.2° | 49.2° |
| C20 | C21 | C22 | H16 | 119.3° | 118.2° |
| C20 | C21 | C22 | H17 | 119.3° | 118.1° |
| C21 | C20 | C19 | C24 | 113.7° | 114.7° |
| C21 | C20 | C19 | H15 | 123.2° | 122.7° |
| C21 | C20 | C24 | H15 | 118.5° | 118.9° |
| C20 | C21 | C22 | N23 | 19.2° | 25.4° |
| C21 | C20 | C24 | N23 | 14.8° | 16.2° |
| C21 | C20 | C24 | O26 | 164.9° | 163.7° |
| C21 | C20 | C19 | H10 | 168.9° | 61.2° |
| C21 | C20 | C19 | H11 | 48.5° | 58.8° |
| C20 | C21 | H16 | H17 | 122.1° | 123.7° |
| C20 | C21 | C22 | H18 | 138.3° | 93.6° |
| C20 | C21 | C22 | H19 | 100.0° | 144.3° |
| C22 | C21 | C20 | C19 | 138.2° | 93.9° |
| C22 | C21 | C20 | C24 | 20.4° | 24.8° |
| C21 | C22 | N23 | H18 | 119.1° | 119.0° |
| C21 | C22 | N23 | H19 | 119.2° | 119.0° |
| C21 | C22 | N23 | C24 | 10.8° | 17.0° |
| C22 | C21 | C20 | H15 | 98.5° | 143.6° |
| C22 | C21 | H16 | H17 | 122.1° | 123.8° |
| C21 | C22 | H18 | H19 | 122.5° | 122.0° |
| C21 | C22 | N23 | H45 | 169.2° | 162.9° |
| C19 | C20 | C24 | H15 | 122.8° | 122.5° |
| C19 | C20 | C24 | N23 | 133.4° | 102.4° |
| C19 | C20 | C24 | O26 | 46.2° | 77.7° |
| C20 | C19 | C17 | H9 | 47.2° | 55.0° |
| C20 | C19 | H10 | H11 | 120.7° | 120.0° |
| C19 | C20 | C21 | H16 | 18.9° | 24.3° |
| C19 | C20 | C21 | H17 | 102.5° | 148.0° |
| C10 | C30 | C11 | C31 | 122.2° | 120.0° |
| C10 | C30 | C11 | C12 | 172.0° | 56.2° |
| C10 | C30 | C11 | N10 | 61.9° | 63.8° |
| C30 | C10 | H1 | H2 | 120.0° | 120.0° |
| C30 | C10 | H1 | H3 | 120.0° | 120.0° |
| C30 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C30 | C11 | H4 | 55.2° | 176.2° |
| C10 | C30 | C31 | H23 | 61.3° | 60.0° |
| C10 | C30 | C31 | H24 | 178.7° | 180.0° |
| C10 | C30 | C31 | H25 | 58.7° | 60.0° |
| C10 | C30 | C32 | H26 | 180.0° | 59.5° |
| C10 | C30 | C32 | H27 | 60.0° | 179.6° |
| C10 | C30 | C32 | H28 | 60.0° | 60.5° |
| C30 | C11 | C12 | N10 | 126.2° | 120.0° |
| C30 | C11 | C12 | H4 | 116.5° | 119.9° |
| C30 | C11 | C12 | O33 | 75.8° | 101.1° |
| C30 | C11 | N10 | H4 | 116.5° | 119.9° |
| C30 | C11 | N10 | C9 | 131.4° | 85.0° |
| C11 | C30 | C10 | H1 | 61.1° | 60.0° |
| C11 | C30 | C10 | H2 | 178.9° | 180.0° |
| C11 | C30 | C10 | H3 | 58.9° | 60.0° |
| C11 | C30 | C31 | H23 | 59.3° | 180.0° |
| C11 | C30 | C31 | H24 | 60.7° | 60.0° |
| C11 | C30 | C31 | H25 | 179.3° | 60.0° |
| C11 | C30 | C32 | H26 | 62.1° | 60.5° |
| C11 | C30 | C32 | H27 | 57.9° | 59.6° |
| C11 | C30 | C32 | H28 | 178.0° | 179.5° |
| C30 | C11 | N10 | H42 | 48.7° | 95.0° |
| C31 | C30 | C11 | C12 | 65.8° | 176.2° |
| C31 | C30 | C11 | N10 | 60.3° | 56.2° |
| C31 | C30 | C10 | H1 | 61.2° | 180.0° |
| C31 | C30 | C10 | H2 | 58.8° | 60.0° |
| C31 | C30 | C10 | H3 | 178.8° | 60.0° |
| C31 | C30 | C11 | H4 | 177.5° | 63.8° |
| C30 | C31 | H23 | H24 | 120.0° | 120.0° |
| C30 | C31 | H23 | H25 | 120.0° | 120.0° |
| C30 | C31 | H24 | H25 | 120.0° | 120.0° |
| C31 | C30 | C32 | H26 | 59.5° | 179.5° |
| C31 | C30 | C32 | H27 | 179.5° | 60.4° |
| C31 | C30 | C32 | H28 | 60.5° | 59.5° |
| C12 | C11 | N10 | H4 | 116.8° | 120.1° |
| C12 | C11 | N10 | C9 | 102.0° | 155.0° |
| C12 | C11 | N10 | H42 | 78.0° | 25.0° |
| C11 | C12 | N13 | H43 | 3.3° | 4.8° |
| O33 | C12 | C11 | N10 | 50.4° | 18.9° |
| O33 | C12 | C11 | H4 | 167.6° | 139.0° |
| O33 | C12 | N13 | H43 | 176.3° | 175.2° |
| C20 | C24 | N23 | C22 | 2.6° | 0.5° |
| C20 | C24 | N23 | O26 | 179.6° | 179.9° |
| C24 | C20 | C19 | H10 | 55.3° | 53.5° |
| C24 | C20 | C19 | H11 | 65.2° | 173.6° |
| C24 | C20 | C21 | H16 | 98.9° | 142.9° |
| C24 | C20 | C21 | H17 | 139.6° | 93.4° |
| C20 | C24 | N23 | H45 | 177.4° | 179.5° |
| C11 | N10 | C9 | O29 | 26.3° | 0.0° |
| C11 | N10 | C9 | H42 | 180.0° | 180.0° |
| C11 | N10 | C9 | N8 | 154.4° | 179.9° |
| C22 | N23 | C24 | H45 | 180.0° | 180.0° |
| C22 | N23 | C24 | O26 | 177.0° | 179.6° |
| N23 | C22 | C21 | H16 | 100.1° | 143.6° |
| N23 | C22 | C21 | H17 | 138.4° | 92.7° |
| N23 | C22 | H18 | H19 | 122.5° | 122.0° |
| O29 | C9 | N10 | N8 | 179.4° | 180.0° |
| O29 | C9 | N8 | C1 | 6.9° | 0.0° |
| O29 | C9 | N10 | H42 | 153.7° | 180.0° |
| O29 | C9 | N8 | H46 | 173.2° | 180.0° |
| N23 | C24 | C20 | H15 | 103.7° | 135.1° |
| C24 | N23 | C22 | H18 | 130.0° | 102.0° |
| C24 | N23 | C22 | H19 | 108.3° | 136.0° |
| O26 | C24 | C20 | H15 | 76.7° | 44.8° |
| O26 | C24 | N23 | H45 | 3.0° | 0.4° |
| N10 | C9 | N8 | C1 | 173.8° | 180.0° |
| C9 | N10 | C11 | H4 | 14.8° | 35.0° |
| N10 | C9 | N8 | H46 | 6.2° | 0.1° |
| C9 | N8 | C1 | C3 | 60.0° | 60.0° |
| C9 | N8 | C1 | H46 | 180.0° | 179.9° |
| C9 | N8 | C1 | C4 | 63.0° | 180.0° |
| C9 | N8 | C1 | C2 | 179.1° | 60.0° |
| N8 | C9 | N10 | H42 | 25.6° | 0.0° |
| C3 | C1 | N8 | C4 | 123.0° | 120.0° |
| C3 | C1 | N8 | C2 | 119.2° | 120.0° |
| C3 | C1 | C4 | C2 | 118.0° | 119.9° |
| C3 | C1 | C2 | H12 | 180.0° | 60.0° |
| C3 | C1 | C2 | H13 | 60.0° | 180.0° |
| C3 | C1 | C2 | H14 | 60.0° | 60.0° |
| C1 | C3 | H20 | H21 | 120.0° | 120.1° |
| C1 | C3 | H20 | H22 | 120.0° | 120.0° |
| C1 | C3 | H21 | H22 | 120.0° | 120.1° |
| C3 | C1 | C4 | H37 | 180.0° | 180.0° |
| C3 | C1 | C4 | H38 | 60.0° | 60.1° |
| C3 | C1 | C4 | H39 | 60.0° | 60.0° |
| C3 | C1 | N8 | H46 | 120.0° | 120.0° |
| N8 | C1 | C4 | C2 | 118.4° | 120.0° |
| N8 | C1 | C2 | H12 | 59.5° | 60.0° |
| N8 | C1 | C2 | H13 | 179.5° | 60.0° |
| N8 | C1 | C2 | H14 | 60.5° | 180.0° |
| N8 | C1 | C3 | H20 | 180.0° | 180.0° |
| N8 | C1 | C3 | H21 | 60.0° | 60.0° |
| N8 | C1 | C3 | H22 | 60.0° | 60.0° |
| N8 | C1 | C4 | H37 | 56.4° | 60.0° |
| N8 | C1 | C4 | H38 | 63.6° | 60.0° |
| N8 | C1 | C4 | H39 | 176.4° | 180.0° |
| C4 | C1 | C2 | H12 | 61.3° | 180.0° |
| C4 | C1 | C2 | H13 | 58.7° | 60.1° |
| C4 | C1 | C2 | H14 | 178.7° | 60.0° |
| C4 | C1 | C3 | H20 | 55.8° | 60.0° |
| C4 | C1 | C3 | H21 | 64.2° | 60.0° |
| C4 | C1 | C3 | H22 | 175.8° | 179.9° |
| C1 | C4 | H37 | H38 | 120.0° | 119.9° |
| C1 | C4 | H37 | H39 | 120.0° | 120.1° |
| C1 | C4 | H38 | H39 | 120.0° | 120.1° |
| C4 | C1 | N8 | H46 | 117.0° | 0.0° |
| C1 | C2 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | H12 | H14 | 120.0° | 120.1° |
| C1 | C2 | H13 | H14 | 120.0° | 120.1° |
| C2 | C1 | C3 | H20 | 61.2° | 60.0° |
| C2 | C1 | C3 | H21 | 178.8° | 180.0° |
| C2 | C1 | C3 | H22 | 58.8° | 60.0° |
| C2 | C1 | C4 | H37 | 62.0° | 60.1° |
| C2 | C1 | C4 | H38 | 178.0° | 180.0° |
| C2 | C1 | C4 | H39 | 58.0° | 60.0° |
| C2 | C1 | N8 | H46 | 0.8° | 120.0° |
| H1 | C10 | H2 | H3 | 120.0° | 119.9° |
| H4 | C11 | N10 | H42 | 165.2° | 145.0° |
| H5 | C13 | H6 | H7 | 120.0° | 120.1° |
| H8 | C14 | C34 | H29 | 87.3° | 57.3° |
| H8 | C14 | C34 | H30 | 153.8° | 62.6° |
| H8 | C14 | N13 | H43 | 139.8° | 130.8° |
| H9 | C17 | C19 | H10 | 166.9° | 175.0° |
| H9 | C17 | C19 | H11 | 72.6° | 65.0° |
| H9 | C17 | C8 | H40 | 59.1° | 65.0° |
| H9 | C17 | C8 | H41 | 178.6° | 55.0° |
| H9 | C17 | N16 | H44 | 155.5° | 145.0° |
| H10 | C19 | C20 | H15 | 67.8° | 176.1° |
| H11 | C19 | C20 | H15 | 171.7° | 63.9° |
| H12 | C2 | H13 | H14 | 120.0° | 119.9° |
| H15 | C20 | C21 | H16 | 142.2° | 98.3° |
| H15 | C20 | C21 | H17 | 20.8° | 25.4° |
| H16 | C21 | C22 | H18 | 19.0° | 24.6° |
| H16 | C21 | C22 | H19 | 140.7° | 97.5° |
| H17 | C21 | C22 | H18 | 102.4° | 148.3° |
| H17 | C21 | C22 | H19 | 19.3° | 26.2° |
| H18 | C22 | N23 | H45 | 50.0° | 78.1° |
| H19 | C22 | N23 | H45 | 71.7° | 44.0° |
| H20 | C3 | H21 | H22 | 120.0° | 119.9° |
| H23 | C31 | H24 | H25 | 120.0° | 120.0° |
| H26 | C32 | H27 | H28 | 120.0° | 120.1° |
| H31 | C36 | H32 | H33 | 120.0° | 119.9° |
| H34 | C37 | H35 | H36 | 120.0° | 120.0° |
| H37 | C4 | H38 | H39 | 120.0° | 120.0° |
| H40 | C8 | O9 | H47 | 59.7° | 60.0° |
| H41 | C8 | O9 | H47 | 59.8° | 59.9° |
