81L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C11 | sing | 1.53Å | 1.53Å | |
| C30 | C26 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| O29 | C9 | doub | 1.21Å | 1.23Å | |
| O38 | C15 | doub | 1.21Å | 1.23Å | |
| C11 | N10 | sing | 1.46Å | 1.45Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.52Å | |
| N13 | C12 | sing | 1.35Å | 1.34Å | |
| N13 | C14 | sing | 1.47Å | 1.45Å | |
| C9 | N10 | sing | 1.35Å | 1.33Å | |
| C9 | O8 | sing | 1.35Å | 1.46Å | |
| C8 | C34 | sing | 1.53Å | 1.53Å | |
| C8 | C29 | sing | 1.53Å | 1.53Å | |
| C8 | C28 | sing | 1.53Å | 1.53Å | |
| C34 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | O33 | doub | 1.21Å | 1.23Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N16 | sing | 1.35Å | 1.34Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| O8 | C7 | sing | 1.45Å | 1.43Å | |
| C22 | N23 | sing | 1.47Å | 1.46Å | |
| C17 | N16 | sing | 1.46Å | 1.46Å | |
| C17 | C27 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| O28 | C27 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C24 | sing | 1.51Å | 1.50Å | |
| N23 | C24 | sing | 1.34Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.20Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C5 | H31 | sing | 1.08Å | 1.08Å | |
| C6 | H32 | sing | 1.08Å | 1.08Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | H35 | sing | 1.09Å | 1.10Å | |
| N10 | H36 | sing | 0.97Å | 1.00Å | |
| N13 | H37 | sing | 0.97Å | 1.00Å | |
| N16 | H38 | sing | 0.97Å | 1.00Å | |
| N23 | H39 | sing | 0.97Å | 1.00Å | |
| O28 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C6 | C5 | 119.4° | 120.0° |
| C6 | C1 | C2 | 119.8° | 120.0° |
| C6 | C1 | H1 | 120.1° | 120.0° |
| C1 | C6 | H32 | 120.3° | 120.0° |
| C6 | C5 | C4 | 121.5° | 120.0° |
| C6 | C5 | H31 | 119.3° | 120.1° |
| C5 | C6 | H32 | 120.3° | 120.0° |
| C1 | C2 | C3 | 120.4° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | H7 | 119.8° | 120.0° |
| C31 | C30 | C32 | 108.3° | 109.4° |
| C31 | C30 | C11 | 109.7° | 109.5° |
| C31 | C30 | C26 | 108.3° | 109.5° |
| C30 | C31 | H23 | 109.5° | 109.5° |
| C30 | C31 | H24 | 109.5° | 109.5° |
| C30 | C31 | H25 | 109.5° | 109.4° |
| C32 | C30 | C11 | 110.2° | 109.5° |
| C32 | C30 | C26 | 108.9° | 109.4° |
| C30 | C32 | H26 | 109.5° | 109.4° |
| C30 | C32 | H27 | 109.5° | 109.5° |
| C30 | C32 | H28 | 109.5° | 109.4° |
| C5 | C4 | C3 | 118.6° | 120.0° |
| C5 | C4 | C7 | 122.8° | 120.0° |
| C4 | C5 | H31 | 119.3° | 120.0° |
| C11 | C30 | C26 | 111.4° | 109.5° |
| C30 | C11 | N10 | 112.1° | 109.5° |
| C30 | C11 | C12 | 113.1° | 109.5° |
| C30 | C11 | H2 | 106.5° | 109.4° |
| C30 | C26 | H13 | 109.5° | 109.5° |
| C30 | C26 | H14 | 109.4° | 109.5° |
| C30 | C26 | H15 | 109.5° | 109.5° |
| C2 | C3 | C4 | 120.3° | 120.0° |
| C3 | C2 | H7 | 119.8° | 120.0° |
| C2 | C3 | H22 | 119.8° | 120.0° |
| O29 | C9 | N10 | 121.6° | 120.0° |
| O29 | C9 | O8 | 118.8° | 120.0° |
| O38 | C15 | C14 | 119.3° | 120.0° |
| O38 | C15 | N16 | 123.0° | 120.0° |
| N10 | C11 | C12 | 110.6° | 109.5° |
| C11 | N10 | C9 | 119.0° | 120.0° |
| N10 | C11 | H2 | 107.4° | 109.5° |
| C11 | N10 | H36 | 120.5° | 120.0° |
| C11 | C12 | N13 | 116.3° | 120.0° |
| C11 | C12 | O33 | 121.2° | 120.0° |
| C12 | C11 | H2 | 106.7° | 109.4° |
| C3 | C4 | C7 | 118.6° | 120.0° |
| C4 | C3 | H22 | 119.9° | 120.0° |
| C4 | C7 | O8 | 114.7° | 109.4° |
| C4 | C7 | H33 | 108.2° | 109.5° |
| C4 | C7 | H34 | 108.1° | 109.5° |
| C12 | N13 | C14 | 119.6° | 120.0° |
| N13 | C12 | O33 | 122.5° | 120.0° |
| C12 | N13 | H37 | 120.2° | 120.1° |
| N13 | C14 | C34 | 109.5° | 109.5° |
| N13 | C14 | C15 | 109.8° | 109.5° |
| N13 | C14 | H3 | 109.1° | 109.5° |
| C14 | N13 | H37 | 120.2° | 120.0° |
| N10 | C9 | O8 | 119.6° | 120.0° |
| C9 | N10 | H36 | 120.5° | 120.0° |
| C9 | O8 | C7 | 123.8° | 117.0° |
| C34 | C8 | C29 | 111.2° | 117.5° |
| C34 | C8 | C28 | 109.8° | 117.5° |
| C8 | C34 | C14 | 110.1° | 109.4° |
| C8 | C34 | H29 | 109.3° | 109.5° |
| C8 | C34 | H30 | 109.3° | 109.5° |
| C34 | C8 | H35 | 120.4° | 115.6° |
| C29 | C8 | C28 | 60.0° | 60.0° |
| C8 | C29 | C28 | 60.1° | 60.0° |
| C8 | C29 | H20 | 120.0° | 117.5° |
| C8 | C29 | H21 | 120.0° | 117.5° |
| C29 | C8 | H35 | 120.4° | 117.5° |
| C8 | C28 | C29 | 59.9° | 60.1° |
| C8 | C28 | H18 | 120.0° | 117.5° |
| C8 | C28 | H19 | 120.0° | 117.5° |
| C28 | C8 | H35 | 120.4° | 117.5° |
| C34 | C14 | C15 | 111.9° | 109.4° |
| C34 | C14 | H3 | 108.1° | 109.4° |
| C14 | C34 | H29 | 109.3° | 109.5° |
| C14 | C34 | H30 | 109.3° | 109.5° |
| C29 | C28 | H18 | 120.0° | 117.5° |
| C29 | C28 | H19 | 120.0° | 117.5° |
| C28 | C29 | H20 | 120.0° | 117.5° |
| C28 | C29 | H21 | 120.0° | 117.5° |
| C14 | C15 | N16 | 117.7° | 120.0° |
| C15 | C14 | H3 | 108.4° | 109.5° |
| C15 | N16 | C17 | 122.2° | 120.0° |
| C15 | N16 | H38 | 118.9° | 120.0° |
| C22 | C21 | C20 | 105.8° | 101.8° |
| C21 | C22 | N23 | 105.0° | 105.5° |
| C22 | C21 | H9 | 110.4° | 111.0° |
| C22 | C21 | H10 | 110.4° | 111.0° |
| C21 | C22 | H11 | 110.6° | 110.2° |
| C21 | C22 | H12 | 110.6° | 110.2° |
| C21 | C20 | C19 | 112.3° | 110.4° |
| C21 | C20 | C24 | 102.9° | 104.2° |
| C21 | C20 | H8 | 109.7° | 110.6° |
| C20 | C21 | H9 | 110.4° | 111.0° |
| C20 | C21 | H10 | 110.4° | 110.9° |
| O8 | C7 | H33 | 108.1° | 109.4° |
| O8 | C7 | H34 | 108.1° | 109.5° |
| C22 | N23 | C24 | 111.7° | 111.3° |
| N23 | C22 | H11 | 110.5° | 110.3° |
| N23 | C22 | H12 | 110.6° | 110.2° |
| C22 | N23 | H39 | 124.1° | 124.4° |
| N16 | C17 | C27 | 108.7° | 109.5° |
| N16 | C17 | C19 | 109.2° | 109.5° |
| N16 | C17 | H4 | 109.5° | 109.5° |
| C17 | N16 | H38 | 119.0° | 120.0° |
| C27 | C17 | C19 | 112.4° | 109.4° |
| C17 | C27 | O28 | 112.8° | 109.5° |
| C27 | C17 | H4 | 108.5° | 109.5° |
| C17 | C27 | H16 | 108.7° | 109.5° |
| C17 | C27 | H17 | 108.6° | 109.5° |
| C17 | C19 | C20 | 109.2° | 109.4° |
| C19 | C17 | H4 | 108.5° | 109.5° |
| C17 | C19 | H5 | 109.6° | 109.5° |
| C17 | C19 | H6 | 109.6° | 109.5° |
| O28 | C27 | H16 | 108.6° | 109.5° |
| O28 | C27 | H17 | 108.6° | 109.4° |
| C27 | O28 | H40 | 109.5° | 114.0° |
| C19 | C20 | C24 | 112.1° | 110.5° |
| C20 | C19 | H5 | 109.5° | 109.5° |
| C20 | C19 | H6 | 109.5° | 109.4° |
| C19 | C20 | H8 | 109.6° | 110.5° |
| C20 | C24 | N23 | 112.1° | 110.1° |
| C20 | C24 | O26 | 122.1° | 124.9° |
| C24 | C20 | H8 | 110.1° | 110.5° |
| N23 | C24 | O26 | 125.8° | 125.0° |
| C24 | N23 | H39 | 124.2° | 124.3° |
| H5 | C19 | H6 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 110.9° |
| H11 | C22 | H12 | 109.5° | 110.3° |
| H13 | C26 | H14 | 109.4° | 109.4° |
| H13 | C26 | H15 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.4° | 109.5° |
| H18 | C28 | H19 | 109.5° | 115.5° |
| H20 | C29 | H21 | 109.5° | 115.6° |
| H23 | C31 | H24 | 109.5° | 109.5° |
| H23 | C31 | H25 | 109.5° | 109.5° |
| H24 | C31 | H25 | 109.5° | 109.4° |
| H26 | C32 | H27 | 109.5° | 109.5° |
| H26 | C32 | H28 | 109.5° | 109.4° |
| H27 | C32 | H28 | 109.5° | 109.5° |
| H29 | C34 | H30 | 109.5° | 109.5° |
| H33 | C7 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C6 | C5 | H32 | 180.0° | 179.4° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C6 | C5 | C4 | 0.1° | 0.6° |
| C6 | C1 | C2 | C3 | 0.1° | 0.2° |
| C6 | C1 | C2 | H7 | 179.9° | 179.7° |
| C1 | C6 | C5 | H31 | 179.9° | 179.7° |
| C5 | C6 | C1 | C2 | 0.1° | 0.5° |
| C6 | C5 | C4 | H31 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.0° | 0.3° |
| C6 | C5 | C4 | C7 | 179.3° | 179.8° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| C1 | C2 | C3 | H7 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H22 | 180.0° | 180.0° |
| C2 | C1 | C6 | H32 | 179.9° | 180.0° |
| C31 | C30 | C32 | C11 | 120.0° | 120.1° |
| C31 | C30 | C32 | C26 | 117.5° | 120.0° |
| C31 | C30 | C11 | C26 | 119.9° | 120.0° |
| C31 | C30 | C11 | N10 | 59.8° | 178.4° |
| C31 | C30 | C11 | C12 | 174.3° | 61.6° |
| C31 | C30 | C11 | H2 | 57.4° | 58.4° |
| C31 | C30 | C26 | H13 | 180.0° | 60.0° |
| C31 | C30 | C26 | H14 | 60.0° | 59.9° |
| C31 | C30 | C26 | H15 | 60.0° | 180.0° |
| C30 | C31 | H23 | H24 | 120.0° | 120.1° |
| C30 | C31 | H23 | H25 | 120.0° | 119.9° |
| C30 | C31 | H24 | H25 | 120.0° | 119.9° |
| C31 | C30 | C32 | H26 | 180.0° | 180.0° |
| C31 | C30 | C32 | H27 | 60.0° | 60.0° |
| C31 | C30 | C32 | H28 | 60.0° | 60.1° |
| C32 | C30 | C11 | C26 | 121.0° | 120.0° |
| C32 | C30 | C11 | N10 | 178.9° | 58.4° |
| C32 | C30 | C11 | C12 | 55.2° | 178.4° |
| C32 | C30 | C11 | H2 | 61.7° | 61.6° |
| C32 | C30 | C26 | H13 | 62.5° | 180.0° |
| C32 | C30 | C26 | H14 | 57.5° | 60.0° |
| C32 | C30 | C26 | H15 | 177.5° | 60.1° |
| C32 | C30 | C31 | H23 | 180.0° | 59.5° |
| C32 | C30 | C31 | H24 | 60.0° | 60.6° |
| C32 | C30 | C31 | H25 | 60.0° | 179.5° |
| C30 | C32 | H26 | H27 | 120.0° | 120.0° |
| C30 | C32 | H26 | H28 | 120.0° | 119.9° |
| C30 | C32 | H27 | H28 | 120.0° | 120.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C5 | C4 | C3 | C7 | 179.4° | 179.9° |
| C5 | C4 | C7 | O8 | 8.1° | 90.1° |
| C5 | C4 | C3 | H22 | 179.9° | 180.0° |
| C4 | C5 | C6 | H32 | 180.0° | 180.0° |
| C5 | C4 | C7 | H33 | 112.7° | 29.9° |
| C5 | C4 | C7 | H34 | 128.9° | 150.0° |
| C30 | C11 | N10 | C12 | 127.3° | 120.0° |
| C30 | C11 | N10 | H2 | 116.6° | 120.0° |
| C30 | C11 | C12 | H2 | 116.8° | 119.9° |
| C30 | C11 | C12 | N13 | 110.8° | 78.0° |
| C30 | C11 | N10 | C9 | 125.3° | 85.0° |
| C30 | C11 | C12 | O33 | 69.8° | 102.0° |
| C11 | C30 | C26 | H13 | 59.2° | 60.0° |
| C11 | C30 | C26 | H14 | 179.2° | 180.0° |
| C11 | C30 | C26 | H15 | 60.8° | 60.0° |
| C11 | C30 | C31 | H23 | 59.7° | 60.5° |
| C11 | C30 | C31 | H24 | 179.7° | 179.4° |
| C11 | C30 | C31 | H25 | 60.3° | 59.5° |
| C11 | C30 | C32 | H26 | 60.0° | 59.9° |
| C11 | C30 | C32 | H27 | 60.0° | 179.9° |
| C11 | C30 | C32 | H28 | 180.0° | 60.0° |
| C30 | C11 | N10 | H36 | 54.7° | 95.0° |
| C26 | C30 | C11 | N10 | 60.2° | 61.6° |
| C26 | C30 | C11 | C12 | 65.7° | 58.5° |
| C26 | C30 | C11 | H2 | 177.4° | 178.4° |
| C30 | C26 | H13 | H14 | 120.0° | 120.0° |
| C30 | C26 | H13 | H15 | 120.0° | 120.0° |
| C30 | C26 | H14 | H15 | 120.0° | 120.0° |
| C26 | C30 | C31 | H23 | 62.1° | 179.4° |
| C26 | C30 | C31 | H24 | 57.9° | 59.4° |
| C26 | C30 | C31 | H25 | 177.9° | 60.6° |
| C26 | C30 | C32 | H26 | 62.5° | 60.0° |
| C26 | C30 | C32 | H27 | 177.5° | 60.0° |
| C26 | C30 | C32 | H28 | 57.5° | 180.0° |
| C2 | C3 | C4 | H22 | 180.0° | 180.0° |
| C2 | C3 | C4 | C7 | 179.3° | 179.9° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| O29 | C9 | N10 | C11 | 16.4° | 0.0° |
| O29 | C9 | N10 | O8 | 179.9° | 180.0° |
| O29 | C9 | O8 | C7 | 102.1° | 0.0° |
| O29 | C9 | N10 | H36 | 163.6° | 180.0° |
| O38 | C15 | C14 | N13 | 49.2° | 0.0° |
| O38 | C15 | C14 | C34 | 72.6° | 120.0° |
| O38 | C15 | C14 | N16 | 178.9° | 180.0° |
| O38 | C15 | N16 | C17 | 4.2° | 0.1° |
| O38 | C15 | C14 | H3 | 168.3° | 120.1° |
| O38 | C15 | N16 | H38 | 175.8° | 180.0° |
| N10 | C11 | C12 | H2 | 116.5° | 120.0° |
| N10 | C11 | C12 | N13 | 122.5° | 161.9° |
| C11 | N10 | C9 | H36 | 180.0° | 180.0° |
| C11 | N10 | C9 | O8 | 163.7° | 180.0° |
| N10 | C11 | C12 | O33 | 56.9° | 18.1° |
| C11 | C12 | N13 | O33 | 179.4° | 180.0° |
| C11 | C12 | N13 | C14 | 178.0° | 175.7° |
| C12 | C11 | N10 | C9 | 107.5° | 155.0° |
| C12 | C11 | N10 | H36 | 72.6° | 25.0° |
| C11 | C12 | N13 | H37 | 2.0° | 4.3° |
| C3 | C4 | C7 | O8 | 172.5° | 90.0° |
| C4 | C3 | C2 | H7 | 180.0° | 180.0° |
| C3 | C4 | C5 | H31 | 180.0° | 179.9° |
| C3 | C4 | C7 | H33 | 66.7° | 150.0° |
| C3 | C4 | C7 | H34 | 51.8° | 29.9° |
| C4 | C7 | O8 | C9 | 66.1° | 180.0° |
| C4 | C7 | O8 | H33 | 120.8° | 120.0° |
| C4 | C7 | O8 | H34 | 120.8° | 120.0° |
| C7 | C4 | C3 | H22 | 0.7° | 0.1° |
| C7 | C4 | C5 | H31 | 0.7° | 0.0° |
| C4 | C7 | H33 | H34 | 117.6° | 120.0° |
| C12 | N13 | C14 | H37 | 180.0° | 180.0° |
| C12 | N13 | C14 | C34 | 163.9° | 103.1° |
| C12 | N13 | C14 | C15 | 72.9° | 136.9° |
| N13 | C12 | C11 | H2 | 5.9° | 41.9° |
| C12 | N13 | C14 | H3 | 45.8° | 16.9° |
| N13 | C14 | C34 | C8 | 48.8° | 65.7° |
| N13 | C14 | C34 | C15 | 122.0° | 120.0° |
| N13 | C14 | C34 | H3 | 118.7° | 120.1° |
| C14 | N13 | C12 | O33 | 2.6° | 4.3° |
| N13 | C14 | C15 | H3 | 119.1° | 120.1° |
| N13 | C14 | C15 | N16 | 129.7° | 180.0° |
| N13 | C14 | C34 | H29 | 168.9° | 54.3° |
| N13 | C14 | C34 | H30 | 71.2° | 174.3° |
| N10 | C9 | O8 | C7 | 77.8° | 180.0° |
| C9 | N10 | C11 | H2 | 8.6° | 35.0° |
| C9 | O8 | C7 | H33 | 54.7° | 60.0° |
| C9 | O8 | C7 | H34 | 173.1° | 60.0° |
| O8 | C9 | N10 | H36 | 16.3° | 0.0° |
| C34 | C8 | C29 | C28 | 101.3° | 107.5° |
| C34 | C8 | C29 | H35 | 148.9° | 145.0° |
| C34 | C8 | C28 | H35 | 146.5° | 145.1° |
| C8 | C34 | C14 | H29 | 120.1° | 120.0° |
| C8 | C34 | C14 | H30 | 120.1° | 120.0° |
| C8 | C34 | C14 | C15 | 170.8° | 174.4° |
| C8 | C34 | C14 | H3 | 69.9° | 54.4° |
| C34 | C8 | C28 | H18 | 5.8° | 145.0° |
| C34 | C8 | C28 | H19 | 146.9° | 0.1° |
| C34 | C8 | C29 | H20 | 149.2° | 0.0° |
| C34 | C8 | C29 | H21 | 8.2° | 145.0° |
| C8 | C34 | H29 | H30 | 119.7° | 120.0° |
| C29 | C8 | C28 | H35 | 109.8° | 107.4° |
| C29 | C8 | C34 | C14 | 149.5° | 176.6° |
| C8 | C29 | C28 | H20 | 109.5° | 107.5° |
| C8 | C29 | C28 | H21 | 109.5° | 107.5° |
| C29 | C8 | C28 | H18 | 109.5° | 107.6° |
| C29 | C8 | C28 | H19 | 109.4° | 107.5° |
| C8 | C29 | H20 | H21 | 144.6° | 145.7° |
| C29 | C8 | C34 | H29 | 29.4° | 56.6° |
| C29 | C8 | C34 | H30 | 90.4° | 63.4° |
| C28 | C8 | C34 | C14 | 85.0° | 114.8° |
| C8 | C28 | H18 | H19 | 144.8° | 145.6° |
| C28 | C8 | C34 | H29 | 35.1° | 125.2° |
| C28 | C8 | C34 | H30 | 154.9° | 5.2° |
| C34 | C14 | C15 | H3 | 119.1° | 119.9° |
| C34 | C14 | C15 | N16 | 108.5° | 60.0° |
| C14 | C34 | H29 | H30 | 119.7° | 120.0° |
| C14 | C34 | C8 | H35 | 61.5° | 31.0° |
| C34 | C14 | N13 | H37 | 16.1° | 76.9° |
| O33 | C12 | C11 | H2 | 173.4° | 138.1° |
| O33 | C12 | N13 | H37 | 177.4° | 175.7° |
| C29 | C28 | H18 | H19 | 144.8° | 145.7° |
| C28 | C29 | H20 | H21 | 144.7° | 145.7° |
| C14 | C15 | N16 | C17 | 176.9° | 180.0° |
| C15 | C14 | C34 | H29 | 69.1° | 65.7° |
| C15 | C14 | C34 | H30 | 50.7° | 54.3° |
| C15 | C14 | N13 | H37 | 107.2° | 43.1° |
| C14 | C15 | N16 | H38 | 3.1° | 0.0° |
| C15 | N16 | C17 | H38 | 180.0° | 179.9° |
| C15 | N16 | C17 | C27 | 105.7° | 85.0° |
| C15 | N16 | C17 | C19 | 131.4° | 155.0° |
| N16 | C15 | C14 | H3 | 10.6° | 60.0° |
| C15 | N16 | C17 | H4 | 12.7° | 35.0° |
| C22 | C21 | C20 | H9 | 119.4° | 118.1° |
| C22 | C21 | C20 | H10 | 119.4° | 118.1° |
| C21 | C22 | N23 | H11 | 119.3° | 119.0° |
| C21 | C22 | N23 | H12 | 119.3° | 119.0° |
| C22 | C21 | C20 | C19 | 135.8° | 93.9° |
| C22 | C21 | C20 | C24 | 15.0° | 24.8° |
| C21 | C22 | N23 | C24 | 7.9° | 17.0° |
| C22 | C21 | C20 | H8 | 102.1° | 143.5° |
| C22 | C21 | H9 | H10 | 121.7° | 123.8° |
| C21 | C22 | H11 | H12 | 122.1° | 122.0° |
| C21 | C22 | N23 | H39 | 172.1° | 163.0° |
| C20 | C21 | C22 | N23 | 14.3° | 25.4° |
| C21 | C20 | C19 | C17 | 69.6° | 178.8° |
| C21 | C20 | C19 | C24 | 115.3° | 114.7° |
| C21 | C20 | C19 | H8 | 122.2° | 122.7° |
| C21 | C20 | C24 | H8 | 116.9° | 118.8° |
| C21 | C20 | C24 | N23 | 11.1° | 16.2° |
| C21 | C20 | C24 | O26 | 169.3° | 163.8° |
| C21 | C20 | C19 | H5 | 170.4° | 61.2° |
| C21 | C20 | C19 | H6 | 50.4° | 58.8° |
| C20 | C21 | H9 | H10 | 121.7° | 123.8° |
| C20 | C21 | C22 | H11 | 133.6° | 93.6° |
| C20 | C21 | C22 | H12 | 105.0° | 144.4° |
| O8 | C7 | H33 | H34 | 117.6° | 120.0° |
| C22 | N23 | C24 | C20 | 2.1° | 0.4° |
| C22 | N23 | C24 | H39 | 180.0° | 180.0° |
| C22 | N23 | C24 | O26 | 178.3° | 179.6° |
| N23 | C22 | C21 | H9 | 133.7° | 143.5° |
| N23 | C22 | C21 | H10 | 105.1° | 92.6° |
| N23 | C22 | H11 | H12 | 122.0° | 122.0° |
| N16 | C17 | C27 | C19 | 120.9° | 120.0° |
| N16 | C17 | C27 | H4 | 119.0° | 120.0° |
| N16 | C17 | C19 | H4 | 119.3° | 120.0° |
| N16 | C17 | C27 | O28 | 178.3° | 65.0° |
| N16 | C17 | C19 | C20 | 57.4° | 65.1° |
| N16 | C17 | C19 | H5 | 62.6° | 54.9° |
| N16 | C17 | C19 | H6 | 177.3° | 175.0° |
| N16 | C17 | C27 | H16 | 61.2° | 55.0° |
| N16 | C17 | C27 | H17 | 57.8° | 175.1° |
| C27 | C17 | C19 | H4 | 120.0° | 120.0° |
| C17 | C27 | O28 | H16 | 120.5° | 120.0° |
| C17 | C27 | O28 | H17 | 120.5° | 120.0° |
| C27 | C17 | C19 | C20 | 178.1° | 175.0° |
| C27 | C17 | C19 | H5 | 58.1° | 65.1° |
| C27 | C17 | C19 | H6 | 62.0° | 55.0° |
| C17 | C27 | H16 | H17 | 118.5° | 120.1° |
| C27 | C17 | N16 | H38 | 74.3° | 95.0° |
| C17 | C27 | O28 | H40 | 180.0° | 179.9° |
| C19 | C17 | C27 | O28 | 60.8° | 55.0° |
| C17 | C19 | C20 | H5 | 120.0° | 120.0° |
| C17 | C19 | C20 | H6 | 120.0° | 120.0° |
| C17 | C19 | C20 | C24 | 175.1° | 66.5° |
| C17 | C19 | H5 | H6 | 120.1° | 120.1° |
| C17 | C19 | C20 | H8 | 52.6° | 56.1° |
| C19 | C17 | C27 | H16 | 59.7° | 175.0° |
| C19 | C17 | C27 | H17 | 178.7° | 65.0° |
| C19 | C17 | N16 | H38 | 48.6° | 24.9° |
| O28 | C27 | C17 | H4 | 59.2° | 175.0° |
| O28 | C27 | H16 | H17 | 118.5° | 120.0° |
| C19 | C20 | C24 | H8 | 122.2° | 122.5° |
| C19 | C20 | C24 | N23 | 131.9° | 102.4° |
| C19 | C20 | C24 | O26 | 48.4° | 77.6° |
| C20 | C19 | C17 | H4 | 61.9° | 55.0° |
| C20 | C19 | H5 | H6 | 120.1° | 120.0° |
| C19 | C20 | C21 | H9 | 104.8° | 24.3° |
| C19 | C20 | C21 | H10 | 16.4° | 148.1° |
| C20 | C24 | N23 | O26 | 179.6° | 180.0° |
| C24 | C20 | C19 | H5 | 55.1° | 53.5° |
| C24 | C20 | C19 | H6 | 64.9° | 173.5° |
| C24 | C20 | C21 | H9 | 134.4° | 142.9° |
| C24 | C20 | C21 | H10 | 104.4° | 93.3° |
| C20 | C24 | N23 | H39 | 177.9° | 179.6° |
| N23 | C24 | C20 | H8 | 105.9° | 135.1° |
| C24 | N23 | C22 | H11 | 127.2° | 102.0° |
| C24 | N23 | C22 | H12 | 111.4° | 136.0° |
| O26 | C24 | C20 | H8 | 73.8° | 44.9° |
| O26 | C24 | N23 | H39 | 1.7° | 0.4° |
| H1 | C1 | C2 | H7 | 0.1° | 0.0° |
| H1 | C1 | C6 | H32 | 0.1° | 0.3° |
| H2 | C11 | N10 | H36 | 171.3° | 145.0° |
| H3 | C14 | C34 | H29 | 50.2° | 174.4° |
| H3 | C14 | C34 | H30 | 170.0° | 65.6° |
| H3 | C14 | N13 | H37 | 134.2° | 163.1° |
| H4 | C17 | C19 | H5 | 178.1° | 174.9° |
| H4 | C17 | C19 | H6 | 58.0° | 65.0° |
| H4 | C17 | C27 | H16 | 179.7° | 65.0° |
| H4 | C17 | C27 | H17 | 61.3° | 55.0° |
| H4 | C17 | N16 | H38 | 167.3° | 145.0° |
| H5 | C19 | C20 | H8 | 67.4° | 176.1° |
| H6 | C19 | C20 | H8 | 172.6° | 63.9° |
| H7 | C2 | C3 | H22 | 0.0° | 0.0° |
| H8 | C20 | C21 | H9 | 17.3° | 98.3° |
| H8 | C20 | C21 | H10 | 138.5° | 25.5° |
| H9 | C21 | C22 | H11 | 107.0° | 24.5° |
| H9 | C21 | C22 | H12 | 14.4° | 97.5° |
| H10 | C21 | C22 | H11 | 14.1° | 148.3° |
| H10 | C21 | C22 | H12 | 135.6° | 26.3° |
| H11 | C22 | N23 | H39 | 52.8° | 78.0° |
| H12 | C22 | N23 | H39 | 68.6° | 44.0° |
| H13 | C26 | H14 | H15 | 120.0° | 120.0° |
| H16 | C27 | O28 | H40 | 59.5° | 59.9° |
| H17 | C27 | O28 | H40 | 59.5° | 60.1° |
| H18 | C28 | C29 | H20 | 141.0° | 145.1° |
| H18 | C28 | C29 | H21 | 0.0° | 0.1° |
| H18 | C28 | C8 | H35 | 140.7° | 0.2° |
| H19 | C28 | C29 | H20 | 0.1° | 0.0° |
| H19 | C28 | C29 | H21 | 141.1° | 145.0° |
| H19 | C28 | C8 | H35 | 0.4° | 145.1° |
| H20 | C29 | C8 | H35 | 0.2° | 145.0° |
| H21 | C29 | C8 | H35 | 140.7° | 0.1° |
| H23 | C31 | H24 | H25 | 120.0° | 120.0° |
| H26 | C32 | H27 | H28 | 120.0° | 120.0° |
| H29 | C34 | C8 | H35 | 178.4° | 89.0° |
| H30 | C34 | C8 | H35 | 58.5° | 151.0° |
| H31 | C5 | C6 | H32 | 0.1° | 0.3° |
