I69
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C30 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | C11 | sing | 1.53Å | 1.53Å | |
| O29 | C9 | doub | 1.22Å | 1.23Å | |
| C1 | C16 | sing | 1.52Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C13 | C16 | sing | 1.54Å | 1.53Å | |
| C13 | N13 | sing | 1.48Å | 1.47Å | |
| C11 | N10 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| O38 | C15 | doub | 1.21Å | 1.22Å | |
| C16 | C34 | sing | 1.54Å | 1.52Å | |
| C16 | C2 | sing | 1.52Å | 1.53Å | |
| C9 | N10 | sing | 1.35Å | 1.33Å | |
| C9 | N8 | sing | 1.35Å | 1.33Å | |
| N13 | C12 | sing | 1.35Å | 1.34Å | |
| N13 | C14 | sing | 1.47Å | 1.46Å | |
| C34 | C14 | sing | 1.55Å | 1.54Å | |
| C27 | C7 | sing | 1.53Å | 1.53Å | |
| C12 | O33 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.55Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| C29 | C7 | sing | 1.53Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| N8 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C28 | sing | 1.53Å | 1.52Å | |
| C17 | N16 | sing | 1.47Å | 1.47Å | |
| C17 | C8 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| O9 | C8 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C24 | sing | 1.51Å | 1.52Å | |
| N23 | C24 | sing | 1.34Å | 1.32Å | |
| 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 | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | 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 | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | 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 | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C8 | H37 | sing | 1.09Å | 1.10Å | |
| C8 | H38 | sing | 1.09Å | 1.10Å | |
| N10 | H39 | sing | 0.97Å | 1.00Å | |
| N16 | H40 | sing | 0.97Å | 1.00Å | |
| N23 | H41 | sing | 0.97Å | 1.00Å | |
| N8 | H42 | sing | 0.97Å | 1.00Å | |
| O9 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C30 | C31 | 108.0° | 109.5° |
| C26 | C30 | C32 | 106.9° | 109.5° |
| C26 | C30 | C11 | 109.0° | 109.5° |
| C30 | C26 | H17 | 109.5° | 109.5° |
| C30 | C26 | H18 | 109.5° | 109.5° |
| C30 | C26 | H19 | 109.5° | 109.5° |
| C31 | C30 | C32 | 109.5° | 109.5° |
| C31 | C30 | C11 | 110.0° | 109.5° |
| C30 | C31 | H29 | 109.5° | 109.5° |
| C30 | C31 | H30 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.4° | 109.5° |
| C32 | C30 | C11 | 113.3° | 109.5° |
| C30 | C32 | H32 | 109.5° | 109.5° |
| C30 | C32 | H33 | 109.5° | 109.5° |
| C30 | C32 | H34 | 109.5° | 109.4° |
| C30 | C11 | N10 | 110.5° | 109.5° |
| C30 | C11 | C12 | 113.1° | 109.5° |
| C30 | C11 | H3 | 107.6° | 109.5° |
| O29 | C9 | N10 | 118.9° | 120.0° |
| O29 | C9 | N8 | 124.3° | 120.0° |
| C16 | C1 | C2 | 59.9° | 59.6° |
| C1 | C16 | C13 | 118.0° | 122.5° |
| C1 | C16 | C34 | 117.9° | 122.3° |
| C1 | C16 | C2 | 60.0° | 60.7° |
| C16 | C1 | H1 | 120.0° | 117.5° |
| C16 | C1 | H2 | 120.0° | 117.5° |
| C1 | C2 | C16 | 60.1° | 59.6° |
| C2 | C1 | H1 | 120.0° | 117.5° |
| C2 | C1 | H2 | 120.0° | 117.6° |
| C1 | C2 | H10 | 120.0° | 117.5° |
| C1 | C2 | H11 | 120.0° | 117.5° |
| C16 | C13 | N13 | 98.1° | 104.6° |
| C13 | C16 | C34 | 108.5° | 103.2° |
| C13 | C16 | C2 | 122.2° | 122.4° |
| C16 | C13 | H4 | 112.2° | 110.4° |
| C16 | C13 | H5 | 112.2° | 110.4° |
| C13 | N13 | C12 | 126.8° | 125.6° |
| C13 | N13 | C14 | 112.6° | 108.8° |
| N13 | C13 | H4 | 112.2° | 110.4° |
| N13 | C13 | H5 | 112.2° | 110.4° |
| N10 | C11 | C12 | 109.3° | 109.5° |
| C11 | N10 | C9 | 120.0° | 120.0° |
| N10 | C11 | H3 | 108.6° | 109.5° |
| C11 | N10 | H39 | 120.0° | 120.0° |
| C11 | C12 | N13 | 116.7° | 120.0° |
| C11 | C12 | O33 | 121.0° | 120.0° |
| C12 | C11 | H3 | 107.7° | 109.5° |
| O38 | C15 | C14 | 119.3° | 120.0° |
| O38 | C15 | N16 | 123.3° | 120.0° |
| C34 | C16 | C2 | 122.7° | 122.3° |
| C16 | C34 | C14 | 97.2° | 102.7° |
| C16 | C34 | H35 | 112.5° | 110.8° |
| C16 | C34 | H36 | 112.4° | 110.8° |
| C16 | C2 | H10 | 120.0° | 117.6° |
| C16 | C2 | H11 | 120.0° | 117.5° |
| N10 | C9 | N8 | 116.7° | 120.0° |
| C9 | N10 | H39 | 120.0° | 120.0° |
| C9 | N8 | C7 | 127.2° | 120.0° |
| C9 | N8 | H42 | 116.4° | 119.9° |
| C12 | N13 | C14 | 120.5° | 125.6° |
| N13 | C12 | O33 | 122.3° | 120.0° |
| N13 | C14 | C34 | 106.4° | 107.4° |
| N13 | C14 | C15 | 111.4° | 110.0° |
| N13 | C14 | H6 | 110.0° | 109.9° |
| C34 | C14 | C15 | 110.7° | 109.9° |
| C34 | C14 | H6 | 108.9° | 109.9° |
| C14 | C34 | H35 | 112.4° | 110.8° |
| C14 | C34 | H36 | 112.5° | 110.8° |
| C27 | C7 | C29 | 111.7° | 109.5° |
| C27 | C7 | N8 | 109.0° | 109.5° |
| C27 | C7 | C28 | 108.8° | 109.5° |
| C7 | C27 | H20 | 109.5° | 109.4° |
| C7 | C27 | H21 | 109.5° | 109.5° |
| C7 | C27 | H22 | 109.5° | 109.5° |
| C22 | C21 | C20 | 104.1° | 101.7° |
| C21 | C22 | N23 | 104.6° | 105.5° |
| C22 | C21 | H13 | 110.8° | 111.0° |
| C22 | C21 | H14 | 110.8° | 111.0° |
| C21 | C22 | H15 | 110.7° | 110.2° |
| C21 | C22 | H16 | 110.7° | 110.2° |
| C21 | C20 | C19 | 115.6° | 110.5° |
| C21 | C20 | C24 | 102.2° | 104.2° |
| C21 | C20 | H12 | 108.9° | 110.6° |
| C20 | C21 | H13 | 110.8° | 111.0° |
| C20 | C21 | H14 | 110.8° | 111.0° |
| C14 | C15 | N16 | 117.5° | 120.0° |
| C15 | C14 | H6 | 109.4° | 109.8° |
| C15 | N16 | C17 | 118.6° | 120.0° |
| C15 | N16 | H40 | 120.7° | 120.0° |
| C29 | C7 | N8 | 112.5° | 109.4° |
| C29 | C7 | C28 | 108.0° | 109.5° |
| C7 | C29 | H26 | 109.5° | 109.4° |
| C7 | C29 | H27 | 109.5° | 109.4° |
| C7 | C29 | H28 | 109.4° | 109.5° |
| C22 | N23 | C24 | 111.9° | 111.3° |
| N23 | C22 | H15 | 110.7° | 110.3° |
| N23 | C22 | H16 | 110.7° | 110.2° |
| C22 | N23 | H41 | 124.0° | 124.4° |
| N8 | C7 | C28 | 106.8° | 109.4° |
| C7 | N8 | H42 | 116.4° | 120.1° |
| C7 | C28 | H23 | 109.5° | 109.4° |
| C7 | C28 | H24 | 109.4° | 109.6° |
| C7 | C28 | H25 | 109.5° | 109.5° |
| N16 | C17 | C8 | 107.2° | 109.5° |
| N16 | C17 | C19 | 112.2° | 109.5° |
| N16 | C17 | H7 | 109.0° | 109.4° |
| C17 | N16 | H40 | 120.7° | 120.0° |
| C8 | C17 | C19 | 112.1° | 109.5° |
| C17 | C8 | O9 | 115.1° | 109.5° |
| C8 | C17 | H7 | 108.2° | 109.5° |
| C17 | C8 | H37 | 108.1° | 109.5° |
| C17 | C8 | H38 | 108.0° | 109.5° |
| C17 | C19 | C20 | 113.7° | 109.5° |
| C19 | C17 | H7 | 108.1° | 109.5° |
| C17 | C19 | H8 | 108.4° | 109.5° |
| C17 | C19 | H9 | 108.4° | 109.4° |
| O9 | C8 | H37 | 108.0° | 109.5° |
| O9 | C8 | H38 | 108.1° | 109.5° |
| C8 | O9 | H43 | 109.5° | 114.0° |
| C19 | C20 | C24 | 111.8° | 110.4° |
| C20 | C19 | H8 | 108.4° | 109.5° |
| C20 | C19 | H9 | 108.4° | 109.5° |
| C19 | C20 | H12 | 108.9° | 110.4° |
| C20 | C24 | N23 | 111.0° | 110.1° |
| C20 | C24 | O26 | 123.0° | 124.9° |
| C24 | C20 | H12 | 109.1° | 110.5° |
| N23 | C24 | O26 | 126.0° | 124.9° |
| C24 | N23 | H41 | 124.0° | 124.3° |
| H1 | C1 | H2 | 109.5° | 115.6° |
| H4 | C13 | H5 | 109.5° | 110.5° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.5° | 115.6° |
| H13 | C21 | H14 | 109.5° | 110.9° |
| H15 | C22 | H16 | 109.5° | 110.3° |
| H17 | C26 | H18 | 109.4° | 109.4° |
| H17 | C26 | H19 | 109.4° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.5° | 109.5° |
| H20 | C27 | H22 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.4° |
| H23 | C28 | H24 | 109.5° | 109.5° |
| H23 | C28 | H25 | 109.5° | 109.4° |
| H24 | C28 | H25 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H26 | C29 | H28 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.5° |
| H29 | C31 | H31 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.5° |
| H32 | C32 | H33 | 109.4° | 109.5° |
| H32 | C32 | H34 | 109.4° | 109.5° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| H35 | C34 | H36 | 109.5° | 110.8° |
| H37 | C8 | H38 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C30 | C31 | C32 | 116.1° | 120.0° |
| C26 | C30 | C31 | C11 | 118.8° | 120.0° |
| C26 | C30 | C32 | C11 | 120.1° | 120.0° |
| C26 | C30 | C11 | N10 | 62.3° | 54.6° |
| C26 | C30 | C11 | C12 | 174.8° | 65.3° |
| C26 | C30 | C11 | H3 | 56.0° | 174.6° |
| C30 | C26 | H17 | H18 | 120.0° | 120.0° |
| C30 | C26 | H17 | H19 | 120.0° | 120.0° |
| C30 | C26 | H18 | H19 | 120.0° | 120.0° |
| C26 | C30 | C31 | H29 | 180.0° | 55.0° |
| C26 | C30 | C31 | H30 | 60.0° | 175.0° |
| C26 | C30 | C31 | H31 | 60.0° | 65.0° |
| C26 | C30 | C32 | H32 | 180.0° | 60.0° |
| C26 | C30 | C32 | H33 | 60.0° | 180.0° |
| C26 | C30 | C32 | H34 | 60.0° | 60.0° |
| C31 | C30 | C32 | C11 | 123.1° | 120.0° |
| C31 | C30 | C11 | N10 | 179.5° | 174.6° |
| C31 | C30 | C11 | C12 | 56.6° | 54.7° |
| C31 | C30 | C11 | H3 | 62.2° | 65.4° |
| C31 | C30 | C26 | H17 | 180.0° | 180.0° |
| C31 | C30 | C26 | H18 | 60.0° | 60.0° |
| C31 | C30 | C26 | H19 | 60.0° | 60.0° |
| 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 | 63.2° | 60.0° |
| C31 | C30 | C32 | H33 | 56.8° | 60.0° |
| C31 | C30 | C32 | H34 | 176.7° | 180.0° |
| C32 | C30 | C11 | N10 | 56.6° | 65.4° |
| C32 | C30 | C11 | C12 | 66.2° | 174.7° |
| C32 | C30 | C11 | H3 | 175.0° | 54.7° |
| C32 | C30 | C26 | H17 | 62.3° | 60.0° |
| C32 | C30 | C26 | H18 | 57.7° | 180.0° |
| C32 | C30 | C26 | H19 | 177.7° | 60.0° |
| C32 | C30 | C31 | H29 | 63.9° | 175.0° |
| C32 | C30 | C31 | H30 | 176.1° | 65.0° |
| C32 | C30 | C31 | H31 | 56.1° | 55.0° |
| C30 | C32 | H32 | H33 | 120.0° | 120.0° |
| C30 | C32 | H32 | H34 | 120.0° | 120.0° |
| C30 | C32 | H33 | H34 | 120.0° | 120.0° |
| C30 | C11 | N10 | C12 | 125.0° | 120.0° |
| C30 | C11 | N10 | H3 | 117.7° | 120.0° |
| C30 | C11 | C12 | H3 | 118.7° | 120.0° |
| C30 | C11 | N10 | C9 | 115.7° | 85.0° |
| C30 | C11 | C12 | N13 | 113.9° | 96.8° |
| C30 | C11 | C12 | O33 | 68.5° | 83.2° |
| C11 | C30 | C26 | H17 | 60.6° | 60.0° |
| C11 | C30 | C26 | H18 | 179.4° | 60.0° |
| C11 | C30 | C26 | H19 | 59.4° | 180.0° |
| C11 | C30 | C31 | H29 | 61.2° | 65.0° |
| C11 | C30 | C31 | H30 | 58.8° | 55.0° |
| C11 | C30 | C31 | H31 | 178.8° | 175.0° |
| C11 | C30 | C32 | H32 | 59.9° | 180.0° |
| C11 | C30 | C32 | H33 | 179.9° | 60.0° |
| C11 | C30 | C32 | H34 | 60.1° | 60.0° |
| C30 | C11 | N10 | H39 | 64.3° | 95.0° |
| O29 | C9 | N10 | C11 | 16.9° | 0.0° |
| O29 | C9 | N10 | N8 | 177.7° | 180.0° |
| O29 | C9 | N8 | C7 | 2.0° | 0.0° |
| O29 | C9 | N10 | H39 | 163.1° | 180.0° |
| O29 | C9 | N8 | H42 | 178.0° | 180.0° |
| C16 | C1 | C2 | H1 | 109.4° | 107.4° |
| C16 | C1 | C2 | H2 | 109.4° | 107.4° |
| C1 | C16 | C13 | C34 | 137.4° | 143.2° |
| C1 | C16 | C13 | C2 | 70.5° | 73.6° |
| C1 | C16 | C13 | N13 | 175.4° | 178.6° |
| C1 | C16 | C34 | C2 | 70.6° | 73.5° |
| C1 | C16 | C34 | C14 | 178.7° | 177.2° |
| C16 | C1 | H1 | H2 | 144.8° | 145.9° |
| C1 | C16 | C13 | H4 | 57.3° | 59.8° |
| C1 | C16 | C13 | H5 | 66.5° | 62.6° |
| C16 | C1 | C2 | H10 | 109.5° | 107.4° |
| C16 | C1 | C2 | H11 | 109.5° | 107.4° |
| C1 | C16 | C34 | H35 | 63.4° | 58.9° |
| C1 | C16 | C34 | H36 | 60.7° | 64.4° |
| C2 | C1 | H1 | H2 | 144.8° | 145.9° |
| C1 | C2 | H10 | H11 | 144.7° | 145.9° |
| C16 | C13 | N13 | H4 | 118.1° | 118.8° |
| C16 | C13 | N13 | H5 | 118.1° | 118.8° |
| C13 | C16 | C34 | C2 | 152.0° | 143.2° |
| C16 | C13 | N13 | C12 | 159.0° | 157.4° |
| C16 | C13 | N13 | C14 | 18.7° | 22.7° |
| C13 | C16 | C34 | C14 | 41.3° | 33.9° |
| C13 | C16 | C1 | H1 | 3.5° | 4.5° |
| C13 | C16 | C1 | H2 | 137.6° | 140.7° |
| C16 | C13 | H4 | H5 | 125.3° | 122.4° |
| C13 | C16 | C2 | H10 | 3.4° | 4.5° |
| C13 | C16 | C2 | H11 | 144.4° | 140.7° |
| C13 | C16 | C34 | H35 | 159.2° | 84.4° |
| C13 | C16 | C34 | H36 | 76.7° | 152.3° |
| C13 | N13 | C12 | C11 | 11.6° | 5.1° |
| N13 | C13 | C16 | C34 | 38.1° | 35.3° |
| N13 | C13 | C16 | C2 | 114.1° | 107.9° |
| C13 | N13 | C12 | C14 | 177.5° | 180.0° |
| C13 | N13 | C14 | C34 | 6.0° | 0.9° |
| C13 | N13 | C12 | O33 | 165.9° | 174.9° |
| C13 | N13 | C14 | C15 | 126.7° | 118.6° |
| N13 | C13 | H4 | H5 | 125.3° | 122.4° |
| C13 | N13 | C14 | H6 | 111.8° | 120.4° |
| N10 | C11 | C12 | H3 | 117.8° | 120.0° |
| C11 | N10 | C9 | H39 | 180.0° | 180.0° |
| C11 | N10 | C9 | N8 | 165.4° | 180.0° |
| N10 | C11 | C12 | N13 | 122.6° | 143.2° |
| N10 | C11 | C12 | O33 | 55.0° | 36.8° |
| C12 | C11 | N10 | C9 | 119.3° | 155.0° |
| C11 | C12 | N13 | O33 | 177.5° | 180.0° |
| C11 | C12 | N13 | C14 | 170.9° | 174.9° |
| C12 | C11 | N10 | H39 | 60.7° | 25.0° |
| O38 | C15 | C14 | N13 | 48.5° | 18.3° |
| O38 | C15 | C14 | C34 | 69.7° | 99.7° |
| O38 | C15 | C14 | N16 | 178.9° | 179.9° |
| O38 | C15 | N16 | C17 | 3.3° | 0.1° |
| O38 | C15 | C14 | H6 | 170.4° | 139.3° |
| O38 | C15 | N16 | H40 | 176.8° | 179.9° |
| C16 | C34 | C14 | N13 | 27.7° | 21.0° |
| C16 | C34 | C14 | H35 | 118.0° | 118.3° |
| C16 | C34 | C14 | H36 | 117.9° | 118.3° |
| C16 | C34 | C14 | C15 | 148.9° | 140.6° |
| C34 | C16 | C1 | H1 | 136.9° | 140.9° |
| C34 | C16 | C1 | H2 | 4.2° | 4.3° |
| C34 | C16 | C13 | H4 | 80.0° | 83.4° |
| C34 | C16 | C13 | H5 | 156.2° | 154.1° |
| C16 | C34 | C14 | H6 | 90.8° | 98.5° |
| C34 | C16 | C2 | H10 | 144.8° | 140.8° |
| C34 | C16 | C2 | H11 | 3.8° | 4.4° |
| C16 | C34 | H35 | H36 | 125.7° | 123.3° |
| C2 | C16 | C34 | C14 | 110.7° | 109.3° |
| C2 | C16 | C13 | H4 | 127.8° | 133.4° |
| C2 | C16 | C13 | H5 | 4.0° | 10.9° |
| C16 | C2 | H10 | H11 | 144.7° | 145.9° |
| C2 | C16 | C34 | H35 | 7.3° | 132.4° |
| C2 | C16 | C34 | H36 | 131.3° | 9.0° |
| N10 | C9 | N8 | C7 | 179.5° | 180.0° |
| C9 | N10 | C11 | H3 | 2.0° | 35.0° |
| N10 | C9 | N8 | H42 | 0.5° | 0.0° |
| C9 | N8 | C7 | C27 | 82.2° | 60.0° |
| C9 | N8 | C7 | C29 | 42.1° | 180.0° |
| C9 | N8 | C7 | H42 | 180.0° | 180.0° |
| C9 | N8 | C7 | C28 | 160.4° | 60.0° |
| N8 | C9 | N10 | H39 | 14.6° | 0.0° |
| C12 | N13 | C14 | C34 | 176.2° | 179.1° |
| C12 | N13 | C14 | C15 | 55.5° | 61.4° |
| N13 | C12 | C11 | H3 | 4.8° | 23.2° |
| C12 | N13 | C13 | H4 | 82.9° | 83.9° |
| C12 | N13 | C13 | H5 | 40.9° | 38.6° |
| C12 | N13 | C14 | H6 | 66.0° | 59.6° |
| N13 | C14 | C34 | C15 | 121.2° | 119.6° |
| N13 | C14 | C34 | H6 | 118.5° | 119.5° |
| C14 | N13 | C12 | O33 | 11.6° | 5.0° |
| N13 | C14 | C15 | H6 | 121.8° | 121.0° |
| N13 | C14 | C15 | N16 | 130.4° | 161.8° |
| C14 | N13 | C13 | H4 | 99.4° | 96.1° |
| C14 | N13 | C13 | H5 | 136.8° | 141.5° |
| N13 | C14 | C34 | H35 | 145.7° | 97.4° |
| N13 | C14 | C34 | H36 | 90.2° | 139.3° |
| C34 | C14 | C15 | H6 | 120.0° | 121.0° |
| C34 | C14 | C15 | N16 | 111.4° | 80.2° |
| C14 | C34 | H35 | H36 | 125.7° | 123.3° |
| C27 | C7 | C29 | N8 | 122.9° | 120.0° |
| C27 | C7 | C29 | C28 | 119.5° | 120.1° |
| C27 | C7 | N8 | C28 | 117.3° | 120.1° |
| C7 | C27 | H20 | H21 | 120.0° | 120.0° |
| C7 | C27 | H20 | H22 | 120.0° | 120.1° |
| C7 | C27 | H21 | H22 | 120.0° | 120.0° |
| C27 | C7 | C28 | H23 | 180.0° | 59.9° |
| C27 | C7 | C28 | H24 | 60.0° | 180.0° |
| C27 | C7 | C28 | H25 | 60.0° | 59.9° |
| C27 | C7 | C29 | H26 | 180.0° | 60.0° |
| C27 | C7 | C29 | H27 | 60.0° | 180.0° |
| C27 | C7 | C29 | H28 | 60.0° | 60.1° |
| C27 | C7 | N8 | H42 | 97.7° | 120.0° |
| O33 | C12 | C11 | H3 | 172.7° | 156.8° |
| C22 | C21 | C20 | H13 | 119.1° | 118.1° |
| C22 | C21 | C20 | H14 | 119.1° | 118.1° |
| C21 | C22 | N23 | H15 | 119.2° | 119.0° |
| C21 | C22 | N23 | H16 | 119.2° | 118.9° |
| C22 | C21 | C20 | C19 | 144.6° | 93.9° |
| C22 | C21 | C20 | C24 | 22.9° | 24.8° |
| C21 | C22 | N23 | C24 | 15.8° | 17.1° |
| C22 | C21 | C20 | H12 | 92.4° | 143.6° |
| C22 | C21 | H13 | H14 | 122.5° | 123.8° |
| C21 | C22 | H15 | H16 | 122.2° | 122.0° |
| C21 | C22 | N23 | H41 | 164.2° | 163.0° |
| C20 | C21 | C22 | N23 | 23.9° | 25.5° |
| C21 | C20 | C19 | C17 | 71.4° | 178.7° |
| C21 | C20 | C19 | C24 | 116.4° | 114.8° |
| C21 | C20 | C19 | H12 | 123.0° | 122.7° |
| C21 | C20 | C24 | H12 | 115.2° | 118.8° |
| C21 | C20 | C24 | N23 | 14.6° | 16.2° |
| C21 | C20 | C24 | O26 | 164.3° | 163.7° |
| C21 | C20 | C19 | H8 | 167.9° | 61.2° |
| C21 | C20 | C19 | H9 | 49.2° | 58.8° |
| C20 | C21 | H13 | H14 | 122.5° | 123.8° |
| C20 | C21 | C22 | H15 | 143.1° | 93.6° |
| C20 | C21 | C22 | H16 | 95.4° | 144.4° |
| C14 | C15 | N16 | C17 | 177.8° | 180.0° |
| C15 | C14 | C34 | H35 | 93.1° | 22.2° |
| C15 | C14 | C34 | H36 | 30.9° | 101.1° |
| C14 | C15 | N16 | H40 | 2.1° | 0.1° |
| C15 | N16 | C17 | H40 | 180.0° | 179.9° |
| C15 | N16 | C17 | C8 | 112.1° | 85.0° |
| C15 | N16 | C17 | C19 | 124.5° | 155.0° |
| N16 | C15 | C14 | H6 | 8.6° | 40.8° |
| C15 | N16 | C17 | H7 | 4.8° | 34.9° |
| C29 | C7 | N8 | C28 | 118.3° | 119.9° |
| C29 | C7 | C27 | H20 | 180.0° | 60.0° |
| C29 | C7 | C27 | H21 | 60.0° | 180.0° |
| C29 | C7 | C27 | H22 | 60.0° | 60.0° |
| C29 | C7 | C28 | H23 | 58.7° | 60.1° |
| C29 | C7 | C28 | H24 | 178.7° | 60.0° |
| C29 | C7 | C28 | H25 | 61.3° | 180.0° |
| C7 | C29 | H26 | H27 | 120.0° | 119.9° |
| C7 | C29 | H26 | H28 | 120.0° | 120.0° |
| C7 | C29 | H27 | H28 | 120.0° | 119.9° |
| C29 | C7 | N8 | H42 | 137.9° | 0.0° |
| C22 | N23 | C24 | C20 | 0.6° | 0.5° |
| C22 | N23 | C24 | H41 | 180.0° | 179.9° |
| C22 | N23 | C24 | O26 | 179.5° | 179.6° |
| N23 | C22 | C21 | H13 | 143.0° | 143.5° |
| N23 | C22 | C21 | H14 | 95.3° | 92.6° |
| N23 | C22 | H15 | H16 | 122.3° | 122.0° |
| N8 | C7 | C27 | H20 | 55.2° | 180.0° |
| N8 | C7 | C27 | H21 | 64.8° | 60.0° |
| N8 | C7 | C27 | H22 | 175.2° | 60.0° |
| N8 | C7 | C28 | H23 | 62.5° | 180.0° |
| N8 | C7 | C28 | H24 | 57.5° | 60.0° |
| N8 | C7 | C28 | H25 | 177.5° | 60.1° |
| N8 | C7 | C29 | H26 | 57.1° | 60.0° |
| N8 | C7 | C29 | H27 | 177.2° | 60.0° |
| N8 | C7 | C29 | H28 | 62.9° | 180.0° |
| C28 | C7 | C27 | H20 | 61.0° | 60.0° |
| C28 | C7 | C27 | H21 | 179.0° | 60.0° |
| C28 | C7 | C27 | H22 | 59.0° | 180.0° |
| C7 | C28 | H23 | H24 | 120.0° | 120.1° |
| C7 | C28 | H23 | H25 | 120.0° | 119.9° |
| C7 | C28 | H24 | H25 | 120.0° | 120.1° |
| C28 | C7 | C29 | H26 | 60.5° | 179.9° |
| C28 | C7 | C29 | H27 | 59.5° | 59.9° |
| C28 | C7 | C29 | H28 | 179.5° | 60.0° |
| C28 | C7 | N8 | H42 | 19.6° | 120.0° |
| N16 | C17 | C8 | C19 | 123.5° | 120.0° |
| N16 | C17 | C8 | H7 | 117.4° | 120.0° |
| N16 | C17 | C19 | H7 | 120.2° | 120.0° |
| N16 | C17 | C8 | O9 | 178.0° | 65.0° |
| N16 | C17 | C19 | C20 | 69.4° | 65.0° |
| N16 | C17 | C19 | H8 | 51.2° | 55.0° |
| N16 | C17 | C19 | H9 | 170.0° | 175.0° |
| N16 | C17 | C8 | H37 | 57.2° | 55.0° |
| N16 | C17 | C8 | H38 | 61.1° | 174.9° |
| C8 | C17 | C19 | H7 | 119.2° | 120.0° |
| C17 | C8 | O9 | H37 | 120.9° | 120.0° |
| C17 | C8 | O9 | H38 | 120.8° | 120.1° |
| C8 | C17 | C19 | C20 | 170.0° | 175.0° |
| C8 | C17 | C19 | H8 | 69.4° | 65.0° |
| C8 | C17 | C19 | H9 | 49.3° | 55.0° |
| C17 | C8 | H37 | H38 | 117.4° | 120.0° |
| C8 | C17 | N16 | H40 | 67.9° | 95.1° |
| C17 | C8 | O9 | H43 | 180.0° | 180.0° |
| C19 | C17 | C8 | O9 | 54.5° | 55.0° |
| C17 | C19 | C20 | H8 | 120.6° | 120.0° |
| C17 | C19 | C20 | H9 | 120.6° | 120.0° |
| C17 | C19 | C20 | C24 | 172.2° | 66.5° |
| C17 | C19 | H8 | H9 | 118.1° | 120.0° |
| C17 | C19 | C20 | H12 | 51.6° | 56.1° |
| C19 | C17 | C8 | H37 | 66.3° | 175.0° |
| C19 | C17 | C8 | H38 | 175.4° | 65.1° |
| C19 | C17 | N16 | H40 | 55.5° | 24.9° |
| O9 | C8 | C17 | H7 | 64.6° | 175.0° |
| O9 | C8 | H37 | H38 | 117.4° | 120.0° |
| C19 | C20 | C24 | H12 | 120.5° | 122.5° |
| C19 | C20 | C24 | N23 | 138.9° | 102.5° |
| C19 | C20 | C24 | O26 | 40.1° | 77.6° |
| C20 | C19 | C17 | H7 | 50.8° | 55.0° |
| C20 | C19 | H8 | H9 | 118.0° | 120.0° |
| C19 | C20 | C21 | H13 | 96.3° | 24.2° |
| C19 | C20 | C21 | H14 | 25.4° | 148.0° |
| C20 | C24 | N23 | O26 | 178.9° | 179.9° |
| C24 | C20 | C19 | H8 | 51.5° | 53.6° |
| C24 | C20 | C19 | H9 | 67.2° | 173.6° |
| C24 | C20 | C21 | H13 | 142.0° | 142.9° |
| C24 | C20 | C21 | H14 | 96.2° | 93.3° |
| C20 | C24 | N23 | H41 | 179.4° | 179.6° |
| N23 | C24 | C20 | H12 | 100.6° | 135.0° |
| C24 | N23 | C22 | H15 | 135.0° | 101.9° |
| C24 | N23 | C22 | H16 | 103.4° | 136.0° |
| O26 | C24 | C20 | H12 | 80.5° | 44.8° |
| O26 | C24 | N23 | H41 | 0.5° | 0.2° |
| H1 | C1 | C2 | H10 | 0.0° | 0.0° |
| H1 | C1 | C2 | H11 | 141.1° | 145.2° |
| H2 | C1 | C2 | H10 | 141.1° | 145.2° |
| H2 | C1 | C2 | H11 | 0.1° | 0.0° |
| H3 | C11 | N10 | H39 | 178.0° | 145.0° |
| H6 | C14 | C34 | H35 | 27.1° | 143.1° |
| H6 | C14 | C34 | H36 | 151.2° | 19.8° |
| H7 | C17 | C19 | H8 | 171.4° | 175.0° |
| H7 | C17 | C19 | H9 | 69.8° | 65.0° |
| H7 | C17 | C8 | H37 | 174.6° | 64.9° |
| H7 | C17 | C8 | H38 | 56.3° | 55.0° |
| H7 | C17 | N16 | H40 | 175.2° | 144.9° |
| H8 | C19 | C20 | H12 | 69.1° | 176.1° |
| H9 | C19 | C20 | H12 | 172.2° | 63.9° |
| H12 | C20 | C21 | H13 | 26.7° | 98.4° |
| H12 | C20 | C21 | H14 | 148.4° | 25.4° |
| H13 | C21 | C22 | H15 | 97.8° | 24.5° |
| H13 | C21 | C22 | H16 | 23.8° | 97.5° |
| H14 | C21 | C22 | H15 | 24.0° | 148.3° |
| H14 | C21 | C22 | H16 | 145.5° | 26.3° |
| H15 | C22 | N23 | H41 | 45.0° | 77.9° |
| H16 | C22 | N23 | H41 | 76.6° | 44.1° |
| H17 | C26 | H18 | H19 | 120.0° | 120.0° |
| H20 | C27 | H21 | H22 | 120.0° | 120.0° |
| H23 | C28 | H24 | H25 | 120.0° | 119.9° |
| H26 | C29 | H27 | H28 | 120.0° | 120.1° |
| H29 | C31 | H30 | H31 | 120.0° | 120.0° |
| H32 | C32 | H33 | H34 | 119.9° | 120.0° |
| H37 | C8 | O9 | H43 | 59.1° | 60.0° |
| H38 | C8 | O9 | H43 | 59.2° | 59.9° |
