CIX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.56Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| B33 | C28 | sing | 1.57Å | 1.62Å | |
| B33 | O34 | sing | 1.42Å | 1.41Å | |
| B33 | O35 | sing | 1.42Å | 1.33Å | |
| C28 | N27 | sing | 1.46Å | 1.49Å | |
| N27 | C25 | sing | 1.35Å | 1.30Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C25 | O26 | doub | 1.21Å | 1.23Å | |
| C25 | C20 | sing | 1.51Å | 1.57Å | |
| C13 | C14 | sing | 1.53Å | 1.65Å | |
| C13 | C12 | sing | 1.53Å | 1.49Å | |
| C14 | C16 | sing | 1.53Å | 1.58Å | |
| C20 | N19 | sing | 1.47Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.42Å | |
| O18 | C17 | doub | 1.21Å | 1.25Å | |
| C17 | N19 | sing | 1.35Å | 1.32Å | |
| C17 | C12 | sing | 1.51Å | 1.54Å | |
| C12 | N11 | sing | 1.46Å | 1.45Å | |
| C21 | C22 | sing | 1.53Å | 1.48Å | |
| N11 | C9 | sing | 1.35Å | 1.34Å | |
| C23 | C22 | sing | 1.53Å | 1.57Å | |
| C22 | C24 | sing | 1.53Å | 1.55Å | |
| C9 | O8 | sing | 1.35Å | 1.36Å | |
| C9 | O10 | doub | 1.22Å | 1.24Å | |
| O8 | C7 | sing | 1.45Å | 1.34Å | |
| C7 | C6 | sing | 1.51Å | 1.47Å | |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | H1 | sing | 1.09Å | 1.10Å | |
| C31 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| O35 | H11 | sing | 0.97Å | 0.95Å | |
| O34 | H12 | sing | 0.97Å | 0.95Å | |
| N27 | H13 | sing | 0.97Å | 1.00Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N19 | H24 | sing | 0.97Å | 1.00Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| N11 | H35 | sing | 0.97Å | 1.00Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| C7 | H37 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.08Å | 1.08Å | |
| C2 | H39 | sing | 1.08Å | 1.08Å | |
| C3 | H40 | sing | 1.08Å | 1.08Å | |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C5 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C30 | C31 | 102.1° | 109.5° |
| C32 | C30 | C29 | 112.7° | 109.5° |
| C32 | C30 | H4 | 109.6° | 109.5° |
| C30 | C32 | H5 | 109.5° | 109.5° |
| C30 | C32 | H6 | 109.5° | 109.5° |
| C30 | C32 | H7 | 109.4° | 109.5° |
| C31 | C30 | C29 | 113.6° | 109.4° |
| C30 | C31 | H1 | 109.5° | 109.4° |
| C30 | C31 | H2 | 109.5° | 109.5° |
| C30 | C31 | H3 | 109.5° | 109.5° |
| C31 | C30 | H4 | 109.1° | 109.4° |
| C30 | C29 | C28 | 116.4° | 109.5° |
| C29 | C30 | H4 | 109.4° | 109.5° |
| C30 | C29 | H8 | 107.7° | 109.5° |
| C30 | C29 | H9 | 107.7° | 109.4° |
| C29 | C28 | B33 | 113.8° | 109.5° |
| C29 | C28 | N27 | 109.5° | 109.5° |
| C28 | C29 | H8 | 107.7° | 109.5° |
| C28 | C29 | H9 | 107.7° | 109.4° |
| C29 | C28 | H10 | 104.5° | 109.5° |
| C28 | B33 | O34 | 112.6° | 120.0° |
| C28 | B33 | O35 | 108.8° | 120.0° |
| B33 | C28 | N27 | 118.9° | 109.5° |
| B33 | C28 | H10 | 103.6° | 109.4° |
| O34 | B33 | O35 | 108.6° | 120.0° |
| B33 | O34 | H12 | 109.5° | 114.0° |
| B33 | O35 | H11 | 109.5° | 114.0° |
| C28 | N27 | C25 | 128.7° | 120.0° |
| N27 | C28 | H10 | 105.0° | 109.4° |
| C28 | N27 | H13 | 115.6° | 120.0° |
| N27 | C25 | O26 | 125.0° | 120.0° |
| N27 | C25 | C20 | 114.1° | 120.0° |
| C25 | N27 | H13 | 115.7° | 120.0° |
| C15 | C14 | C13 | 113.0° | 109.5° |
| C15 | C14 | C16 | 105.7° | 109.5° |
| C15 | C14 | H28 | 107.7° | 109.5° |
| C14 | C15 | H32 | 109.5° | 109.5° |
| C14 | C15 | H33 | 109.4° | 109.4° |
| C14 | C15 | H34 | 109.5° | 109.5° |
| O26 | C25 | C20 | 120.6° | 120.0° |
| C25 | C20 | N19 | 109.7° | 109.5° |
| C25 | C20 | C21 | 104.7° | 109.5° |
| C25 | C20 | H14 | 110.9° | 109.5° |
| C14 | C13 | C12 | 114.2° | 109.4° |
| C13 | C14 | C16 | 116.7° | 109.5° |
| C14 | C13 | H26 | 108.3° | 109.5° |
| C14 | C13 | H27 | 108.3° | 109.4° |
| C13 | C14 | H28 | 106.3° | 109.5° |
| C13 | C12 | C17 | 109.3° | 109.4° |
| C13 | C12 | N11 | 114.1° | 109.5° |
| C13 | C12 | H25 | 108.9° | 109.5° |
| C12 | C13 | H26 | 108.3° | 109.4° |
| C12 | C13 | H27 | 108.3° | 109.5° |
| C16 | C14 | H28 | 107.1° | 109.4° |
| C14 | C16 | H29 | 109.5° | 109.5° |
| C14 | C16 | H30 | 109.5° | 109.5° |
| C14 | C16 | H31 | 109.5° | 109.5° |
| N19 | C20 | C21 | 106.1° | 109.5° |
| C20 | N19 | C17 | 127.3° | 120.0° |
| N19 | C20 | H14 | 111.8° | 109.4° |
| C20 | N19 | H24 | 116.3° | 119.9° |
| C20 | C21 | C22 | 114.0° | 109.5° |
| C21 | C20 | H14 | 113.3° | 109.5° |
| C20 | C21 | H15 | 108.3° | 109.5° |
| C20 | C21 | H16 | 108.3° | 109.5° |
| O18 | C17 | N19 | 125.9° | 120.0° |
| O18 | C17 | C12 | 121.4° | 120.0° |
| N19 | C17 | C12 | 112.7° | 120.0° |
| C17 | N19 | H24 | 116.3° | 120.0° |
| C17 | C12 | N11 | 106.8° | 109.5° |
| C17 | C12 | H25 | 108.2° | 109.5° |
| C12 | N11 | C9 | 122.6° | 120.0° |
| N11 | C12 | H25 | 109.4° | 109.5° |
| C12 | N11 | H35 | 118.7° | 120.0° |
| C21 | C22 | C23 | 115.5° | 109.5° |
| C21 | C22 | C24 | 105.5° | 109.5° |
| C22 | C21 | H15 | 108.3° | 109.5° |
| C22 | C21 | H16 | 108.3° | 109.4° |
| C21 | C22 | H17 | 108.1° | 109.5° |
| N11 | C9 | O8 | 116.1° | 120.0° |
| N11 | C9 | O10 | 124.9° | 120.0° |
| C9 | N11 | H35 | 118.7° | 120.0° |
| C23 | C22 | C24 | 113.1° | 109.5° |
| C23 | C22 | H17 | 107.1° | 109.4° |
| C22 | C23 | H21 | 109.5° | 109.4° |
| C22 | C23 | H22 | 109.4° | 109.5° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C24 | C22 | H17 | 107.3° | 109.5° |
| C22 | C24 | H18 | 109.5° | 109.5° |
| C22 | C24 | H19 | 109.5° | 109.5° |
| C22 | C24 | H20 | 109.5° | 109.5° |
| O8 | C9 | O10 | 118.5° | 120.0° |
| C9 | O8 | C7 | 123.9° | 117.0° |
| O8 | C7 | C6 | 117.1° | 109.5° |
| O8 | C7 | H36 | 107.5° | 109.4° |
| O8 | C7 | H37 | 107.5° | 109.5° |
| C7 | C6 | C1 | 118.6° | 120.0° |
| C7 | C6 | C5 | 118.9° | 120.0° |
| C6 | C7 | H36 | 107.5° | 109.5° |
| C6 | C7 | H37 | 107.5° | 109.5° |
| C6 | C1 | C2 | 118.9° | 120.0° |
| C1 | C6 | C5 | 122.3° | 120.0° |
| C6 | C1 | H38 | 120.5° | 120.0° |
| C1 | C2 | C3 | 119.3° | 119.9° |
| C2 | C1 | H38 | 120.6° | 120.0° |
| C1 | C2 | H39 | 120.3° | 120.0° |
| C6 | C5 | C4 | 119.1° | 120.0° |
| C6 | C5 | H42 | 120.5° | 120.0° |
| C5 | C4 | C3 | 119.2° | 120.0° |
| C5 | C4 | H41 | 120.4° | 120.0° |
| C4 | C5 | H42 | 120.4° | 120.0° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C3 | C2 | H39 | 120.4° | 120.0° |
| C2 | C3 | H40 | 119.5° | 120.0° |
| C4 | C3 | H40 | 119.5° | 120.0° |
| C3 | C4 | H41 | 120.4° | 120.0° |
| H1 | C31 | H2 | 109.5° | 109.5° |
| H1 | C31 | H3 | 109.5° | 109.4° |
| H2 | C31 | H3 | 109.4° | 109.4° |
| H5 | C32 | H6 | 109.5° | 109.4° |
| H5 | C32 | H7 | 109.5° | 109.4° |
| H6 | C32 | H7 | 109.5° | 109.5° |
| H8 | C29 | H9 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.4° |
| H18 | C24 | H19 | 109.5° | 109.5° |
| H18 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.4° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H26 | C13 | H27 | 109.5° | 109.5° |
| H29 | C16 | H30 | 109.5° | 109.5° |
| H29 | C16 | H31 | 109.5° | 109.5° |
| H30 | C16 | H31 | 109.5° | 109.4° |
| H32 | C15 | H33 | 109.5° | 109.5° |
| H32 | C15 | H34 | 109.4° | 109.5° |
| H33 | C15 | H34 | 109.5° | 109.4° |
| H36 | C7 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C30 | C31 | C29 | 121.7° | 120.1° |
| C32 | C30 | C31 | H4 | 116.0° | 120.0° |
| C32 | C30 | C29 | H4 | 122.3° | 120.1° |
| C32 | C30 | C29 | C28 | 177.5° | 175.0° |
| C32 | C30 | C31 | H1 | 180.0° | 59.9° |
| C32 | C30 | C31 | H2 | 60.0° | 180.0° |
| C32 | C30 | C31 | H3 | 60.0° | 60.0° |
| C30 | C32 | H5 | H6 | 120.0° | 120.1° |
| C30 | C32 | H5 | H7 | 120.0° | 120.0° |
| C30 | C32 | H6 | H7 | 120.0° | 120.0° |
| C32 | C30 | C29 | H8 | 56.5° | 65.0° |
| C32 | C30 | C29 | H9 | 61.5° | 55.0° |
| C31 | C30 | C29 | H4 | 122.2° | 119.9° |
| C31 | C30 | C29 | C28 | 62.0° | 65.0° |
| C30 | C31 | H1 | H2 | 120.0° | 120.1° |
| C30 | C31 | H1 | H3 | 120.0° | 120.0° |
| C30 | C31 | H2 | H3 | 120.0° | 120.0° |
| C31 | C30 | C32 | H5 | 180.0° | 180.0° |
| C31 | C30 | C32 | H6 | 60.0° | 60.0° |
| C31 | C30 | C32 | H7 | 60.0° | 60.1° |
| C31 | C30 | C29 | H8 | 59.0° | 55.1° |
| C31 | C30 | C29 | H9 | 177.0° | 175.1° |
| C30 | C29 | C28 | H8 | 121.0° | 120.1° |
| C30 | C29 | C28 | H9 | 121.0° | 120.0° |
| C30 | C29 | C28 | B33 | 170.6° | 60.0° |
| C30 | C29 | C28 | N27 | 53.6° | 180.0° |
| C29 | C30 | C31 | H1 | 58.3° | 180.0° |
| C29 | C30 | C31 | H2 | 178.4° | 59.9° |
| C29 | C30 | C31 | H3 | 61.7° | 60.0° |
| C29 | C30 | C32 | H5 | 57.7° | 60.0° |
| C29 | C30 | C32 | H6 | 62.3° | 180.0° |
| C29 | C30 | C32 | H7 | 177.7° | 59.9° |
| C30 | C29 | H8 | H9 | 116.9° | 120.0° |
| C30 | C29 | C28 | H10 | 58.3° | 60.0° |
| C29 | C28 | B33 | N27 | 131.3° | 120.1° |
| C29 | C28 | B33 | H10 | 112.8° | 120.0° |
| C29 | C28 | B33 | O34 | 71.8° | 90.0° |
| C29 | C28 | B33 | O35 | 167.8° | 90.0° |
| C29 | C28 | N27 | H10 | 111.6° | 120.0° |
| C29 | C28 | N27 | C25 | 127.5° | 135.0° |
| C28 | C29 | C30 | H4 | 60.3° | 54.9° |
| C28 | C29 | H8 | H9 | 116.9° | 120.0° |
| C29 | C28 | N27 | H13 | 52.5° | 45.1° |
| C28 | B33 | O34 | O35 | 120.5° | 180.0° |
| B33 | C28 | N27 | H10 | 115.2° | 119.9° |
| B33 | C28 | N27 | C25 | 99.4° | 105.0° |
| B33 | C28 | C29 | H8 | 49.6° | 180.0° |
| B33 | C28 | C29 | H9 | 68.4° | 60.0° |
| C28 | B33 | O35 | H11 | 180.0° | 0.0° |
| C28 | B33 | O34 | H12 | 180.0° | 0.0° |
| B33 | C28 | N27 | H13 | 80.6° | 75.0° |
| O34 | B33 | C28 | N27 | 59.5° | 150.0° |
| O34 | B33 | C28 | H10 | 175.4° | 30.0° |
| O34 | B33 | O35 | H11 | 57.2° | 180.0° |
| O35 | B33 | C28 | N27 | 60.9° | 30.1° |
| O35 | B33 | C28 | H10 | 55.0° | 150.0° |
| O35 | B33 | O34 | H12 | 59.5° | 180.0° |
| C28 | N27 | C25 | H13 | 180.0° | 179.9° |
| C28 | N27 | C25 | O26 | 8.2° | 0.0° |
| C28 | N27 | C25 | C20 | 178.6° | 180.0° |
| N27 | C28 | C29 | H8 | 174.7° | 59.9° |
| N27 | C28 | C29 | H9 | 67.4° | 60.0° |
| N27 | C25 | O26 | C20 | 172.8° | 180.0° |
| N27 | C25 | C20 | N19 | 125.7° | 180.0° |
| N27 | C25 | C20 | C21 | 120.8° | 60.0° |
| C25 | N27 | C28 | H10 | 15.8° | 15.0° |
| N27 | C25 | C20 | H14 | 1.7° | 60.0° |
| C15 | C14 | C13 | C16 | 122.8° | 120.0° |
| C15 | C14 | C13 | H28 | 117.9° | 120.0° |
| C15 | C14 | C13 | C12 | 173.4° | 66.3° |
| C15 | C14 | C16 | H28 | 114.6° | 120.0° |
| C15 | C14 | C13 | H26 | 52.7° | 53.7° |
| C15 | C14 | C13 | H27 | 65.9° | 173.7° |
| C15 | C14 | C16 | H29 | 180.0° | 180.0° |
| C15 | C14 | C16 | H30 | 60.0° | 59.9° |
| C15 | C14 | C16 | H31 | 60.0° | 60.0° |
| C14 | C15 | H32 | H33 | 120.0° | 120.0° |
| C14 | C15 | H32 | H34 | 120.0° | 120.0° |
| C14 | C15 | H33 | H34 | 120.0° | 119.9° |
| O26 | C25 | C20 | N19 | 47.9° | 0.0° |
| O26 | C25 | C20 | C21 | 65.6° | 120.0° |
| O26 | C25 | N27 | H13 | 171.8° | 179.9° |
| O26 | C25 | C20 | H14 | 171.9° | 120.0° |
| C25 | C20 | N19 | C21 | 112.6° | 120.0° |
| C25 | C20 | N19 | H14 | 123.5° | 120.0° |
| C25 | C20 | C21 | H14 | 121.0° | 120.0° |
| C25 | C20 | N19 | C17 | 124.6° | 155.0° |
| C25 | C20 | C21 | C22 | 143.1° | 175.0° |
| C20 | C25 | N27 | H13 | 1.4° | 0.1° |
| C25 | C20 | C21 | H15 | 96.2° | 65.0° |
| C25 | C20 | C21 | H16 | 22.5° | 55.0° |
| C25 | C20 | N19 | H24 | 55.4° | 25.0° |
| C14 | C13 | C12 | H26 | 120.7° | 120.0° |
| C14 | C13 | C12 | H27 | 120.7° | 120.0° |
| C13 | C14 | C16 | H28 | 118.9° | 120.0° |
| C14 | C13 | C12 | C17 | 171.6° | 66.0° |
| C14 | C13 | C12 | N11 | 69.0° | 174.0° |
| C14 | C13 | C12 | H25 | 53.6° | 53.9° |
| C14 | C13 | H26 | H27 | 117.8° | 120.0° |
| C13 | C14 | C16 | H29 | 53.5° | 60.0° |
| C13 | C14 | C16 | H30 | 173.5° | 180.0° |
| C13 | C14 | C16 | H31 | 66.5° | 60.0° |
| C13 | C14 | C15 | H32 | 180.0° | 175.8° |
| C13 | C14 | C15 | H33 | 60.0° | 55.8° |
| C13 | C14 | C15 | H34 | 60.0° | 64.1° |
| C12 | C13 | C14 | C16 | 50.6° | 173.7° |
| C13 | C12 | C17 | O18 | 89.1° | 106.8° |
| C13 | C12 | C17 | N19 | 88.9° | 73.2° |
| C13 | C12 | C17 | N11 | 123.9° | 120.0° |
| C13 | C12 | C17 | H25 | 118.4° | 120.0° |
| C13 | C12 | N11 | H25 | 122.3° | 120.1° |
| C13 | C12 | N11 | C9 | 142.3° | 88.5° |
| C12 | C13 | H26 | H27 | 117.9° | 120.0° |
| C12 | C13 | C14 | H28 | 68.7° | 53.8° |
| C13 | C12 | N11 | H35 | 37.7° | 91.5° |
| C16 | C14 | C13 | H26 | 70.1° | 66.3° |
| C16 | C14 | C13 | H27 | 171.3° | 53.7° |
| C14 | C16 | H29 | H30 | 120.0° | 120.0° |
| C14 | C16 | H29 | H31 | 120.0° | 120.0° |
| C14 | C16 | H30 | H31 | 120.0° | 120.0° |
| C16 | C14 | C15 | H32 | 51.3° | 64.2° |
| C16 | C14 | C15 | H33 | 171.3° | 175.8° |
| C16 | C14 | C15 | H34 | 68.7° | 55.9° |
| N19 | C20 | C21 | H14 | 123.0° | 120.0° |
| C20 | N19 | C17 | O18 | 3.2° | 5.3° |
| C20 | N19 | C17 | H24 | 180.0° | 180.0° |
| C20 | N19 | C17 | C12 | 174.7° | 174.7° |
| N19 | C20 | C21 | C22 | 100.9° | 65.0° |
| N19 | C20 | C21 | H15 | 19.8° | 55.0° |
| N19 | C20 | C21 | H16 | 138.5° | 175.0° |
| C21 | C20 | N19 | C17 | 122.8° | 85.0° |
| C20 | C21 | C22 | H15 | 120.7° | 120.1° |
| C20 | C21 | C22 | H16 | 120.7° | 120.0° |
| C20 | C21 | C22 | C23 | 22.4° | 175.0° |
| C20 | C21 | C22 | C24 | 148.1° | 65.0° |
| C20 | C21 | H15 | H16 | 117.9° | 120.0° |
| C20 | C21 | C22 | H17 | 97.4° | 55.0° |
| C21 | C20 | N19 | H24 | 57.2° | 95.0° |
| O18 | C17 | N19 | C12 | 177.9° | 180.0° |
| O18 | C17 | C12 | N11 | 34.7° | 13.2° |
| O18 | C17 | N19 | H24 | 176.8° | 174.7° |
| O18 | C17 | C12 | H25 | 152.4° | 133.2° |
| N19 | C17 | C12 | N11 | 147.3° | 166.8° |
| C17 | N19 | C20 | H14 | 1.1° | 35.0° |
| N19 | C17 | C12 | H25 | 29.6° | 46.8° |
| C17 | C12 | N11 | H25 | 116.9° | 120.0° |
| C17 | C12 | N11 | C9 | 96.9° | 151.5° |
| C12 | C17 | N19 | H24 | 5.3° | 5.3° |
| C17 | C12 | C13 | H26 | 50.9° | 174.0° |
| C17 | C12 | C13 | H27 | 67.7° | 53.9° |
| C17 | C12 | N11 | H35 | 83.1° | 28.5° |
| C12 | N11 | C9 | H35 | 180.0° | 180.0° |
| C12 | N11 | C9 | O8 | 175.6° | 175.0° |
| C12 | N11 | C9 | O10 | 4.8° | 5.0° |
| N11 | C12 | C13 | H26 | 170.3° | 54.0° |
| N11 | C12 | C13 | H27 | 51.7° | 66.1° |
| C21 | C22 | C23 | C24 | 121.7° | 120.0° |
| C21 | C22 | C23 | H17 | 120.4° | 120.0° |
| C21 | C22 | C24 | H17 | 115.1° | 120.0° |
| C22 | C21 | C20 | H14 | 22.2° | 55.0° |
| C22 | C21 | H15 | H16 | 118.0° | 119.9° |
| C21 | C22 | C24 | H18 | 180.0° | 180.0° |
| C21 | C22 | C24 | H19 | 60.0° | 60.0° |
| C21 | C22 | C24 | H20 | 60.0° | 60.0° |
| C21 | C22 | C23 | H21 | 180.0° | 60.0° |
| C21 | C22 | C23 | H22 | 60.0° | 180.0° |
| C21 | C22 | C23 | H23 | 60.0° | 59.9° |
| N11 | C9 | O8 | O10 | 171.4° | 180.0° |
| N11 | C9 | O8 | C7 | 104.0° | 180.0° |
| C9 | N11 | C12 | H25 | 20.0° | 31.5° |
| C23 | C22 | C24 | H17 | 117.8° | 119.9° |
| C23 | C22 | C21 | H15 | 98.3° | 54.9° |
| C23 | C22 | C21 | H16 | 143.1° | 65.0° |
| C23 | C22 | C24 | H18 | 52.9° | 60.0° |
| C23 | C22 | C24 | H19 | 67.1° | 60.0° |
| C23 | C22 | C24 | H20 | 172.9° | 180.0° |
| C22 | C23 | H21 | H22 | 120.0° | 120.0° |
| C22 | C23 | H21 | H23 | 120.0° | 120.0° |
| C22 | C23 | H22 | H23 | 120.0° | 120.1° |
| C24 | C22 | C21 | H15 | 27.4° | 175.0° |
| C24 | C22 | C21 | H16 | 91.3° | 55.0° |
| C22 | C24 | H18 | H19 | 120.0° | 120.0° |
| C22 | C24 | H18 | H20 | 120.0° | 120.0° |
| C22 | C24 | H19 | H20 | 120.0° | 120.0° |
| C24 | C22 | C23 | H21 | 58.3° | 60.0° |
| C24 | C22 | C23 | H22 | 178.3° | 60.0° |
| C24 | C22 | C23 | H23 | 61.7° | 180.0° |
| C9 | O8 | C7 | C6 | 53.5° | 180.0° |
| O8 | C9 | N11 | H35 | 4.3° | 5.0° |
| C9 | O8 | C7 | H36 | 174.6° | 60.0° |
| C9 | O8 | C7 | H37 | 67.6° | 60.0° |
| O10 | C9 | O8 | C7 | 84.6° | 0.0° |
| O10 | C9 | N11 | H35 | 175.1° | 174.9° |
| O8 | C7 | C6 | H36 | 121.1° | 120.0° |
| O8 | C7 | C6 | H37 | 121.1° | 120.0° |
| O8 | C7 | C6 | C1 | 149.8° | 90.0° |
| O8 | C7 | C6 | C5 | 25.8° | 90.0° |
| O8 | C7 | H36 | H37 | 116.5° | 120.0° |
| C7 | C6 | C1 | C5 | 175.5° | 180.0° |
| C7 | C6 | C1 | C2 | 177.0° | 180.0° |
| C7 | C6 | C5 | C4 | 176.8° | 180.0° |
| C6 | C7 | H36 | H37 | 116.5° | 120.0° |
| C7 | C6 | C1 | H38 | 3.0° | 0.3° |
| C7 | C6 | C5 | H42 | 3.2° | 0.0° |
| C6 | C1 | C2 | H38 | 180.0° | 179.7° |
| C1 | C6 | C5 | C4 | 1.3° | 0.1° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C6 | C7 | H36 | 89.0° | 150.0° |
| C1 | C6 | C7 | H37 | 28.8° | 30.0° |
| C6 | C1 | C2 | H39 | 179.7° | 180.0° |
| C1 | C6 | C5 | H42 | 178.7° | 180.0° |
| C2 | C1 | C6 | C5 | 1.5° | 0.0° |
| C1 | C2 | C3 | H39 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 2.3° | 0.0° |
| C1 | C2 | C3 | H40 | 177.7° | 180.0° |
| C6 | C5 | C4 | H42 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.6° | 0.1° |
| C5 | C6 | C7 | H36 | 95.3° | 30.0° |
| C5 | C6 | C7 | H37 | 146.9° | 150.0° |
| C5 | C6 | C1 | H38 | 178.5° | 179.8° |
| C6 | C5 | C4 | H41 | 179.4° | 180.0° |
| C5 | C4 | C3 | C2 | 2.5° | 0.1° |
| C5 | C4 | C3 | H41 | 180.0° | 179.9° |
| C5 | C4 | C3 | H40 | 177.6° | 179.9° |
| C2 | C3 | C4 | H40 | 180.0° | 180.0° |
| C3 | C2 | C1 | H38 | 179.7° | 179.7° |
| C2 | C3 | C4 | H41 | 177.5° | 180.0° |
| C4 | C3 | C2 | H39 | 177.7° | 180.0° |
| C3 | C4 | C5 | H42 | 179.3° | 180.0° |
| H1 | C31 | H2 | H3 | 120.0° | 120.0° |
| H1 | C31 | C30 | H4 | 64.1° | 60.1° |
| H2 | C31 | C30 | H4 | 56.0° | 60.0° |
| H3 | C31 | C30 | H4 | 175.9° | 180.0° |
| H4 | C30 | C32 | H5 | 64.4° | 60.0° |
| H4 | C30 | C32 | H6 | 175.6° | 60.0° |
| H4 | C30 | C32 | H7 | 55.6° | 180.0° |
| H4 | C30 | C29 | H8 | 178.7° | 175.0° |
| H4 | C30 | C29 | H9 | 60.7° | 65.0° |
| H5 | C32 | H6 | H7 | 120.0° | 119.9° |
| H8 | C29 | C28 | H10 | 62.7° | 60.1° |
| H9 | C29 | C28 | H10 | 179.3° | 180.0° |
| H10 | C28 | N27 | H13 | 164.2° | 165.1° |
| H14 | C20 | C21 | H15 | 142.8° | 175.0° |
| H14 | C20 | C21 | H16 | 98.5° | 65.0° |
| H14 | C20 | N19 | H24 | 178.9° | 145.0° |
| H15 | C21 | C22 | H17 | 141.9° | 65.0° |
| H16 | C21 | C22 | H17 | 23.3° | 175.0° |
| H17 | C22 | C24 | H18 | 64.9° | 60.0° |
| H17 | C22 | C24 | H19 | 175.0° | 180.0° |
| H17 | C22 | C24 | H20 | 55.1° | 60.0° |
| H17 | C22 | C23 | H21 | 59.7° | 180.0° |
| H17 | C22 | C23 | H22 | 60.4° | 60.0° |
| H17 | C22 | C23 | H23 | 179.7° | 60.0° |
| H18 | C24 | H19 | H20 | 120.0° | 120.0° |
| H21 | C23 | H22 | H23 | 120.0° | 120.0° |
| H25 | C12 | C13 | H26 | 67.1° | 66.0° |
| H25 | C12 | C13 | H27 | 174.3° | 173.9° |
| H25 | C12 | N11 | H35 | 160.0° | 148.5° |
| H26 | C13 | C14 | H28 | 170.6° | 173.7° |
| H27 | C13 | C14 | H28 | 52.0° | 66.2° |
| H28 | C14 | C16 | H29 | 65.4° | 60.0° |
| H28 | C14 | C16 | H30 | 54.6° | 60.0° |
| H28 | C14 | C16 | H31 | 174.6° | 180.0° |
| H28 | C14 | C15 | H32 | 62.9° | 55.8° |
| H28 | C14 | C15 | H33 | 57.1° | 64.2° |
| H28 | C14 | C15 | H34 | 177.1° | 175.9° |
| H29 | C16 | H30 | H31 | 120.0° | 120.0° |
| H32 | C15 | H33 | H34 | 120.0° | 120.1° |
| H38 | C1 | C2 | H39 | 0.3° | 0.3° |
| H39 | C2 | C3 | H40 | 2.3° | 0.0° |
| H40 | C3 | C4 | H41 | 2.4° | 0.0° |
| H41 | C4 | C5 | H42 | 0.7° | 0.1° |
