X9S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | O39 | sing | 1.43Å | 1.44Å | |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| O39 | C40 | sing | 1.43Å | 1.42Å | |
| C37 | C22 | sing | 1.53Å | 1.53Å | |
| C40 | C41 | sing | 1.53Å | 1.51Å | |
| N19 | N20 | sing | 1.40Å | 1.37Å | Aromatic |
| N19 | C18 | doub | 1.30Å | 1.31Å | Aromatic |
| C41 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | N20 | sing | 1.46Å | 1.47Å | |
| N20 | C21 | sing | 1.35Å | 1.35Å | Aromatic |
| C18 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C23 | sing | 1.51Å | 1.49Å | |
| C17 | C15 | sing | 1.48Å | 1.44Å | |
| C15 | N14 | sing | 1.37Å | 1.36Å | Aromatic |
| C15 | N16 | doub | 1.31Å | 1.32Å | Aromatic |
| N14 | C13 | sing | 1.38Å | 1.36Å | Aromatic |
| N16 | C12 | sing | 1.35Å | 1.38Å | Aromatic |
| C13 | N11 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.38Å | Aromatic |
| N11 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C12 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C1 | sing | 1.48Å | 1.49Å | |
| C4 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | C33 | sing | 1.51Å | 1.51Å | |
| C36 | C43 | sing | 1.53Å | 1.56Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.51Å | 1.51Å | |
| C35 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | O7 | doub | 1.21Å | 1.24Å | |
| C6 | C24 | sing | 1.48Å | 1.53Å | |
| C24 | N28 | doub | 1.32Å | 1.31Å | Aromatic |
| C24 | O25 | sing | 1.34Å | 1.36Å | Aromatic |
| N28 | C27 | sing | 1.34Å | 1.39Å | Aromatic |
| O25 | N26 | sing | 1.21Å | 1.44Å | Aromatic |
| C32 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | N26 | doub | 1.30Å | 1.30Å | Aromatic |
| C27 | C29 | sing | 1.51Å | 1.50Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| N14 | H18 | sing | 0.97Å | 1.00Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C38 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C43 | H36 | sing | 1.09Å | 1.10Å | |
| C43 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | C38 | C37 | 111.6° | 109.4° |
| C38 | O39 | C40 | 110.3° | 114.1° |
| O39 | C38 | H28 | 108.9° | 109.5° |
| O39 | C38 | H29 | 108.9° | 109.5° |
| C38 | C37 | C22 | 117.9° | 109.2° |
| C38 | C37 | H26 | 107.3° | 109.5° |
| C38 | C37 | H27 | 107.3° | 109.6° |
| C37 | C38 | H28 | 108.9° | 109.5° |
| C37 | C38 | H29 | 109.0° | 109.5° |
| O39 | C40 | C41 | 111.1° | 109.5° |
| O39 | C40 | H30 | 109.1° | 109.5° |
| O39 | C40 | H31 | 109.1° | 109.5° |
| C37 | C22 | C41 | 114.4° | 109.1° |
| C37 | C22 | N20 | 110.4° | 109.5° |
| C37 | C22 | H5 | 107.0° | 109.5° |
| C22 | C37 | H26 | 107.3° | 109.5° |
| C22 | C37 | H27 | 107.3° | 109.5° |
| C40 | C41 | C22 | 112.8° | 109.2° |
| C41 | C40 | H30 | 109.1° | 109.4° |
| C41 | C40 | H31 | 109.1° | 109.4° |
| C40 | C41 | H32 | 108.6° | 109.5° |
| C40 | C41 | H33 | 108.7° | 109.5° |
| N20 | N19 | C18 | 105.0° | 108.8° |
| N19 | N20 | C22 | 121.6° | 125.8° |
| N19 | N20 | C21 | 112.5° | 108.4° |
| N19 | C18 | C17 | 111.4° | 108.1° |
| N19 | C18 | H20 | 124.3° | 125.9° |
| C41 | C22 | N20 | 110.1° | 109.6° |
| C41 | C22 | H5 | 107.0° | 109.6° |
| C22 | C41 | H32 | 108.7° | 109.6° |
| C22 | C41 | H33 | 108.6° | 109.4° |
| C22 | N20 | C21 | 125.8° | 125.8° |
| N20 | C22 | H5 | 107.7° | 109.5° |
| N20 | C21 | C17 | 105.5° | 107.5° |
| N20 | C21 | C23 | 123.3° | 126.2° |
| C18 | C17 | C21 | 105.6° | 107.3° |
| C18 | C17 | C15 | 125.9° | 126.3° |
| C17 | C18 | H20 | 124.3° | 126.0° |
| C17 | C21 | C23 | 131.1° | 126.3° |
| C21 | C17 | C15 | 128.5° | 126.4° |
| C21 | C23 | H21 | 109.5° | 109.5° |
| C21 | C23 | H22 | 109.5° | 109.4° |
| C21 | C23 | H23 | 109.5° | 109.4° |
| C17 | C15 | N14 | 122.3° | 125.2° |
| C17 | C15 | N16 | 124.0° | 125.1° |
| N14 | C15 | N16 | 113.5° | 109.7° |
| C15 | N14 | C13 | 106.3° | 107.3° |
| C15 | N14 | H18 | 126.8° | 126.3° |
| C15 | N16 | C12 | 103.5° | 109.5° |
| N14 | C13 | N11 | 127.6° | 133.6° |
| N14 | C13 | C12 | 105.9° | 106.0° |
| C13 | N14 | H18 | 126.9° | 126.3° |
| N16 | C12 | C13 | 110.8° | 107.5° |
| N16 | C12 | C8 | 132.3° | 133.7° |
| N11 | C13 | C12 | 126.5° | 120.4° |
| C13 | N11 | C10 | 115.2° | 121.9° |
| C13 | C12 | C8 | 116.9° | 118.8° |
| N11 | C10 | C9 | 124.3° | 121.5° |
| N11 | C10 | H4 | 117.8° | 119.3° |
| C12 | C8 | C9 | 118.4° | 118.0° |
| C12 | C8 | C1 | 121.7° | 121.1° |
| C10 | C9 | C8 | 118.7° | 119.4° |
| C10 | C9 | H3 | 120.6° | 120.3° |
| C9 | C10 | H4 | 117.9° | 119.2° |
| C9 | C8 | C1 | 119.9° | 121.0° |
| C8 | C9 | H3 | 120.7° | 120.3° |
| C8 | C1 | C4 | 119.8° | 120.3° |
| C8 | C1 | C2 | 121.6° | 120.2° |
| C1 | C4 | C33 | 121.5° | 120.5° |
| C4 | C1 | C2 | 118.2° | 119.5° |
| C1 | C4 | H16 | 119.2° | 119.8° |
| C4 | C33 | C36 | 119.5° | 117.6° |
| C4 | C33 | C34 | 119.7° | 119.8° |
| C33 | C4 | H16 | 119.2° | 119.8° |
| C33 | C36 | C43 | 117.4° | 110.6° |
| C36 | C33 | C34 | 120.8° | 122.5° |
| C33 | C36 | H24 | 107.5° | 109.2° |
| C33 | C36 | H25 | 107.4° | 109.2° |
| C36 | C43 | C42 | 113.7° | 108.4° |
| C43 | C36 | H24 | 107.5° | 109.3° |
| C43 | C36 | H25 | 107.5° | 109.2° |
| C36 | C43 | H36 | 108.4° | 109.6° |
| C36 | C43 | H37 | 108.4° | 109.7° |
| C1 | C2 | C3 | 120.8° | 119.6° |
| C1 | C2 | H1 | 119.6° | 120.2° |
| C33 | C34 | C3 | 119.2° | 119.8° |
| C33 | C34 | C35 | 120.0° | 122.5° |
| C43 | C42 | C35 | 111.2° | 108.4° |
| C43 | C42 | H34 | 109.1° | 109.6° |
| C43 | C42 | H35 | 109.1° | 109.7° |
| C42 | C43 | H36 | 108.4° | 109.7° |
| C42 | C43 | H37 | 108.4° | 109.7° |
| C2 | C3 | C34 | 120.6° | 120.7° |
| C3 | C2 | H1 | 119.6° | 120.2° |
| C2 | C3 | H2 | 119.7° | 119.6° |
| C42 | C35 | C34 | 109.3° | 110.6° |
| C42 | C35 | N5 | 116.0° | 109.2° |
| C42 | C35 | H15 | 104.0° | 109.2° |
| C35 | C42 | H34 | 109.0° | 109.7° |
| C35 | C42 | H35 | 109.0° | 109.7° |
| C3 | C34 | C35 | 120.6° | 117.6° |
| C34 | C3 | H2 | 119.7° | 119.6° |
| C34 | C35 | N5 | 117.2° | 109.2° |
| C34 | C35 | H15 | 104.1° | 109.3° |
| C35 | N5 | C6 | 112.7° | 120.0° |
| N5 | C35 | H15 | 104.6° | 109.2° |
| C35 | N5 | H17 | 123.6° | 120.0° |
| N5 | C6 | O7 | 122.7° | 120.0° |
| N5 | C6 | C24 | 116.6° | 119.9° |
| C6 | N5 | H17 | 123.6° | 120.0° |
| O7 | C6 | C24 | 120.7° | 120.0° |
| C6 | C24 | N28 | 129.1° | 126.6° |
| C6 | C24 | O25 | 120.5° | 126.7° |
| N28 | C24 | O25 | 110.3° | 106.7° |
| C24 | N28 | C27 | 106.0° | 105.6° |
| C24 | O25 | N26 | 107.1° | 109.7° |
| N28 | C27 | N26 | 112.6° | 107.6° |
| N28 | C27 | C29 | 121.8° | 126.1° |
| O25 | N26 | C27 | 104.1° | 110.4° |
| C32 | C29 | C27 | 109.7° | 109.4° |
| C32 | C29 | C31 | 110.2° | 109.5° |
| C32 | C29 | C30 | 108.7° | 109.5° |
| C29 | C32 | H12 | 109.5° | 109.5° |
| C29 | C32 | H13 | 109.5° | 109.4° |
| C29 | C32 | H14 | 109.5° | 109.4° |
| N26 | C27 | C29 | 125.5° | 126.2° |
| C27 | C29 | C31 | 109.5° | 109.5° |
| C27 | C29 | C30 | 109.3° | 109.5° |
| C31 | C29 | C30 | 109.5° | 109.5° |
| C29 | C31 | H9 | 109.5° | 109.5° |
| C29 | C31 | H10 | 109.5° | 109.5° |
| C29 | C31 | H11 | 109.5° | 109.4° |
| C29 | C30 | H6 | 109.5° | 109.5° |
| C29 | C30 | H7 | 109.4° | 109.4° |
| C29 | C30 | H8 | 109.4° | 109.4° |
| H6 | C30 | H7 | 109.5° | 109.5° |
| H6 | C30 | H8 | 109.5° | 109.5° |
| H7 | C30 | H8 | 109.5° | 109.4° |
| H9 | C31 | H10 | 109.4° | 109.5° |
| H9 | C31 | H11 | 109.5° | 109.5° |
| H10 | C31 | H11 | 109.5° | 109.5° |
| H12 | C32 | H13 | 109.5° | 109.5° |
| H12 | C32 | H14 | 109.5° | 109.5° |
| H13 | C32 | H14 | 109.4° | 109.5° |
| H21 | C23 | H22 | 109.4° | 109.5° |
| H21 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.4° | 109.5° |
| H24 | C36 | H25 | 109.5° | 109.2° |
| H26 | C37 | H27 | 109.5° | 109.5° |
| H28 | C38 | H29 | 109.5° | 109.5° |
| H30 | C40 | H31 | 109.4° | 109.5° |
| H32 | C41 | H33 | 109.5° | 109.6° |
| H34 | C42 | H35 | 109.5° | 109.7° |
| H36 | C43 | H37 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | C38 | C37 | H28 | 120.3° | 119.9° |
| O39 | C38 | C37 | H29 | 120.3° | 120.0° |
| O39 | C38 | C37 | C22 | 0.2° | 57.6° |
| C38 | O39 | C40 | C41 | 74.0° | 61.1° |
| O39 | C38 | C37 | H26 | 121.0° | 62.3° |
| O39 | C38 | C37 | H27 | 121.4° | 177.6° |
| O39 | C38 | H28 | H29 | 119.0° | 120.0° |
| C38 | O39 | C40 | H30 | 46.2° | 178.9° |
| C38 | O39 | C40 | H31 | 165.7° | 58.8° |
| C37 | C38 | O39 | C40 | 52.1° | 61.2° |
| C38 | C37 | C22 | H26 | 121.2° | 119.9° |
| C38 | C37 | C22 | H27 | 121.2° | 120.0° |
| C38 | C37 | C22 | C41 | 31.2° | 56.9° |
| C38 | C37 | C22 | N20 | 156.0° | 176.9° |
| C38 | C37 | C22 | H5 | 87.1° | 63.0° |
| C38 | C37 | H26 | H27 | 116.2° | 120.2° |
| C37 | C38 | H28 | H29 | 119.1° | 120.1° |
| O39 | C40 | C41 | H30 | 120.3° | 120.1° |
| O39 | C40 | C41 | H31 | 120.3° | 120.0° |
| O39 | C40 | C41 | C22 | 38.0° | 57.5° |
| C40 | O39 | C38 | H28 | 172.5° | 178.9° |
| C40 | O39 | C38 | H29 | 68.2° | 58.9° |
| O39 | C40 | H30 | H31 | 119.2° | 120.1° |
| O39 | C40 | C41 | H32 | 158.5° | 177.5° |
| O39 | C40 | C41 | H33 | 82.5° | 62.3° |
| C37 | C22 | C41 | C40 | 11.8° | 56.8° |
| C37 | C22 | N20 | N19 | 45.2° | 59.9° |
| C37 | C22 | C41 | N20 | 125.0° | 119.9° |
| C37 | C22 | C41 | H5 | 118.3° | 119.9° |
| C37 | C22 | N20 | H5 | 116.4° | 120.1° |
| C37 | C22 | N20 | C21 | 138.6° | 120.6° |
| C22 | C37 | H26 | H27 | 116.2° | 120.1° |
| C22 | C37 | C38 | H28 | 120.5° | 177.5° |
| C22 | C37 | C38 | H29 | 120.2° | 62.4° |
| C37 | C22 | C41 | H32 | 108.7° | 176.8° |
| C37 | C22 | C41 | H33 | 132.3° | 63.0° |
| C40 | C41 | C22 | H32 | 120.5° | 120.0° |
| C40 | C41 | C22 | H33 | 120.5° | 119.8° |
| C40 | C41 | C22 | N20 | 136.8° | 176.7° |
| C40 | C41 | C22 | H5 | 106.5° | 63.1° |
| C41 | C40 | H30 | H31 | 119.3° | 119.9° |
| C40 | C41 | H32 | H33 | 118.5° | 120.2° |
| N19 | N20 | C22 | C41 | 82.1° | 59.8° |
| N19 | N20 | C22 | C21 | 176.2° | 179.5° |
| N20 | N19 | C18 | C17 | 0.2° | 0.2° |
| N19 | N20 | C21 | C17 | 0.6° | 0.3° |
| N19 | N20 | C21 | C23 | 179.2° | 179.8° |
| N19 | N20 | C22 | H5 | 161.6° | 180.0° |
| N20 | N19 | C18 | H20 | 179.8° | 179.8° |
| C18 | N19 | N20 | C22 | 176.5° | 179.9° |
| C18 | N19 | N20 | C21 | 0.2° | 0.3° |
| N19 | C18 | C17 | H20 | 180.0° | 180.0° |
| N19 | C18 | C17 | C21 | 0.5° | 0.0° |
| N19 | C18 | C17 | C15 | 179.7° | 180.0° |
| C41 | C22 | N20 | H5 | 116.3° | 120.2° |
| C41 | C22 | N20 | C21 | 94.2° | 119.8° |
| C41 | C22 | C37 | H26 | 152.4° | 63.0° |
| C41 | C22 | C37 | H27 | 90.0° | 176.9° |
| C22 | C41 | C40 | H30 | 82.2° | 177.5° |
| C22 | C41 | C40 | H31 | 158.3° | 62.5° |
| C22 | C41 | H32 | H33 | 118.5° | 120.1° |
| C22 | N20 | C21 | C17 | 176.0° | 179.9° |
| C22 | N20 | C21 | C23 | 4.2° | 0.2° |
| N20 | C22 | C37 | H26 | 82.8° | 57.0° |
| N20 | C22 | C37 | H27 | 34.8° | 63.1° |
| N20 | C22 | C41 | H32 | 16.3° | 63.3° |
| N20 | C22 | C41 | H33 | 102.7° | 56.9° |
| N20 | C21 | C17 | C18 | 0.6° | 0.2° |
| N20 | C21 | C17 | C23 | 179.8° | 179.8° |
| N20 | C21 | C17 | C15 | 179.8° | 179.8° |
| C21 | N20 | C22 | H5 | 22.2° | 0.4° |
| N20 | C21 | C23 | H21 | 89.9° | 90.2° |
| N20 | C21 | C23 | H22 | 150.1° | 29.8° |
| N20 | C21 | C23 | H23 | 30.1° | 149.7° |
| C18 | C17 | C21 | C15 | 179.2° | 179.9° |
| C18 | C17 | C21 | C23 | 179.2° | 180.0° |
| C18 | C17 | C15 | N14 | 2.8° | 0.0° |
| C18 | C17 | C15 | N16 | 172.6° | 178.7° |
| C21 | C17 | C15 | N14 | 176.2° | 179.9° |
| C21 | C17 | C15 | N16 | 8.4° | 1.4° |
| C21 | C17 | C18 | H20 | 179.5° | 180.0° |
| C17 | C21 | C23 | H21 | 89.8° | 89.9° |
| C17 | C21 | C23 | H22 | 30.1° | 150.0° |
| C17 | C21 | C23 | H23 | 150.1° | 30.1° |
| C23 | C21 | C17 | C15 | 0.0° | 0.1° |
| C21 | C23 | H21 | H22 | 120.0° | 120.0° |
| C21 | C23 | H21 | H23 | 120.0° | 120.0° |
| C21 | C23 | H22 | H23 | 120.0° | 119.9° |
| C17 | C15 | N14 | N16 | 175.8° | 178.8° |
| C17 | C15 | N14 | C13 | 174.8° | 180.0° |
| C17 | C15 | N16 | C12 | 175.6° | 179.9° |
| C17 | C15 | N14 | H18 | 5.2° | 1.2° |
| C15 | C17 | C18 | H20 | 0.3° | 0.0° |
| C15 | N14 | C13 | H18 | 180.0° | 178.8° |
| N14 | C15 | N16 | C12 | 0.1° | 1.1° |
| C15 | N14 | C13 | N11 | 179.9° | 180.0° |
| C15 | N14 | C13 | C12 | 1.4° | 0.7° |
| N16 | C15 | N14 | C13 | 1.0° | 1.2° |
| C15 | N16 | C12 | C13 | 0.8° | 0.6° |
| C15 | N16 | C12 | C8 | 177.7° | 179.4° |
| N16 | C15 | N14 | H18 | 179.0° | 180.0° |
| N14 | C13 | C12 | N16 | 1.4° | 0.1° |
| N14 | C13 | N11 | C12 | 178.3° | 179.2° |
| N14 | C13 | N11 | C10 | 177.4° | 180.0° |
| N14 | C13 | C12 | C8 | 177.3° | 179.9° |
| N16 | C12 | C13 | N11 | 179.9° | 179.5° |
| N16 | C12 | C13 | C8 | 178.7° | 180.0° |
| N16 | C12 | C8 | C9 | 179.6° | 180.0° |
| N16 | C12 | C8 | C1 | 2.9° | 0.3° |
| N11 | C13 | C12 | C8 | 1.3° | 0.5° |
| C13 | N11 | C10 | C9 | 0.5° | 0.6° |
| C13 | N11 | C10 | H4 | 179.5° | 179.5° |
| N11 | C13 | N14 | H18 | 0.0° | 1.2° |
| C12 | C13 | N11 | C10 | 1.0° | 0.8° |
| C13 | C12 | C8 | C9 | 1.2° | 0.1° |
| C13 | C12 | C8 | C1 | 175.5° | 179.7° |
| C12 | C13 | N14 | H18 | 178.6° | 179.5° |
| N11 | C10 | C9 | H4 | 180.0° | 179.9° |
| N11 | C10 | C9 | C8 | 0.5° | 0.0° |
| N11 | C10 | C9 | H3 | 179.5° | 179.9° |
| C12 | C8 | C9 | C10 | 0.8° | 0.3° |
| C12 | C8 | C9 | C1 | 176.8° | 179.7° |
| C12 | C8 | C1 | C4 | 31.0° | 130.0° |
| C12 | C8 | C1 | C2 | 142.1° | 50.3° |
| C12 | C8 | C9 | H3 | 179.2° | 179.8° |
| C10 | C9 | C8 | H3 | 180.0° | 180.0° |
| C10 | C9 | C8 | C1 | 175.9° | 179.9° |
| C9 | C8 | C1 | C4 | 152.4° | 49.7° |
| C9 | C8 | C1 | C2 | 34.5° | 130.1° |
| C8 | C9 | C10 | H4 | 179.5° | 180.0° |
| C8 | C1 | C4 | C2 | 173.3° | 179.7° |
| C8 | C1 | C4 | C33 | 173.3° | 179.8° |
| C8 | C1 | C2 | C3 | 174.1° | 179.9° |
| C8 | C1 | C2 | H1 | 5.9° | 0.1° |
| C1 | C8 | C9 | H3 | 4.1° | 0.1° |
| C8 | C1 | C4 | H16 | 6.8° | 0.3° |
| C1 | C4 | C33 | H16 | 180.0° | 179.5° |
| C1 | C4 | C33 | C36 | 176.5° | 179.9° |
| C1 | C4 | C33 | C34 | 1.9° | 0.2° |
| C4 | C1 | C2 | C3 | 0.9° | 0.4° |
| C4 | C1 | C2 | H1 | 179.1° | 179.6° |
| C4 | C33 | C36 | C34 | 178.3° | 179.6° |
| C4 | C33 | C36 | C43 | 171.5° | 162.4° |
| C33 | C4 | C1 | C2 | 0.1° | 0.5° |
| C4 | C33 | C34 | C3 | 2.6° | 0.1° |
| C4 | C33 | C34 | C35 | 172.2° | 179.2° |
| C4 | C33 | C36 | H24 | 67.4° | 42.0° |
| C4 | C33 | C36 | H25 | 50.4° | 77.4° |
| C33 | C36 | C43 | H24 | 121.1° | 120.3° |
| C33 | C36 | C43 | H25 | 121.1° | 120.2° |
| C33 | C36 | C43 | C42 | 12.2° | 51.1° |
| C36 | C33 | C34 | C3 | 175.7° | 179.5° |
| C36 | C33 | C34 | C35 | 9.5° | 1.1° |
| C36 | C33 | C4 | H16 | 3.5° | 0.6° |
| C33 | C36 | H24 | H25 | 116.4° | 119.4° |
| C33 | C36 | C43 | H36 | 108.4° | 68.6° |
| C33 | C36 | C43 | H37 | 132.9° | 170.9° |
| C43 | C36 | C33 | C34 | 6.8° | 18.0° |
| C36 | C43 | C42 | H36 | 120.6° | 119.7° |
| C36 | C43 | C42 | H37 | 120.6° | 119.7° |
| C36 | C43 | C42 | C35 | 46.0° | 69.8° |
| C43 | C36 | H24 | H25 | 116.4° | 119.4° |
| C36 | C43 | C42 | H34 | 166.3° | 49.9° |
| C36 | C43 | C42 | H35 | 74.2° | 170.4° |
| C36 | C43 | H36 | H37 | 118.0° | 120.5° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C34 | 0.1° | 0.0° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C2 | C1 | C4 | H16 | 179.9° | 180.0° |
| C33 | C34 | C3 | C2 | 1.7° | 0.2° |
| C33 | C34 | C35 | C42 | 43.3° | 18.2° |
| C33 | C34 | C3 | C35 | 174.8° | 179.4° |
| C33 | C34 | C35 | N5 | 177.8° | 138.4° |
| C33 | C34 | C3 | H2 | 178.3° | 179.8° |
| C33 | C34 | C35 | H15 | 67.2° | 102.2° |
| C34 | C33 | C4 | H16 | 178.1° | 179.7° |
| C34 | C33 | C36 | H24 | 114.3° | 138.3° |
| C34 | C33 | C36 | H25 | 128.0° | 102.2° |
| C43 | C42 | C35 | H34 | 120.3° | 119.7° |
| C43 | C42 | C35 | H35 | 120.3° | 119.7° |
| C43 | C42 | C35 | C34 | 60.8° | 51.3° |
| C43 | C42 | C35 | N5 | 164.1° | 171.5° |
| C43 | C42 | C35 | H15 | 49.8° | 69.1° |
| C42 | C43 | C36 | H24 | 133.3° | 171.4° |
| C42 | C43 | C36 | H25 | 108.9° | 69.1° |
| C43 | C42 | H34 | H35 | 119.3° | 120.5° |
| C42 | C43 | H36 | H37 | 118.1° | 120.6° |
| C2 | C3 | C34 | H2 | 180.0° | 180.0° |
| C2 | C3 | C34 | C35 | 173.1° | 179.2° |
| C42 | C35 | C34 | C3 | 141.9° | 162.5° |
| C42 | C35 | C34 | N5 | 134.5° | 120.2° |
| C42 | C35 | C34 | H15 | 110.6° | 120.3° |
| C42 | C35 | N5 | H15 | 113.9° | 119.4° |
| C42 | C35 | N5 | C6 | 145.2° | 153.9° |
| C42 | C35 | N5 | H17 | 34.8° | 26.0° |
| C35 | C42 | H34 | H35 | 119.2° | 120.6° |
| C35 | C42 | C43 | H36 | 74.6° | 49.8° |
| C35 | C42 | C43 | H37 | 166.6° | 170.4° |
| C3 | C34 | C35 | N5 | 7.4° | 42.2° |
| C34 | C3 | C2 | H1 | 179.9° | 180.0° |
| C3 | C34 | C35 | H15 | 107.5° | 77.2° |
| C34 | C35 | N5 | H15 | 114.6° | 119.5° |
| C34 | C35 | N5 | C6 | 83.3° | 85.0° |
| C35 | C34 | C3 | H2 | 6.9° | 0.8° |
| C34 | C35 | N5 | H17 | 96.8° | 95.0° |
| C34 | C35 | C42 | H34 | 178.9° | 68.4° |
| C34 | C35 | C42 | H35 | 59.4° | 171.0° |
| C35 | N5 | C6 | H17 | 180.0° | 179.9° |
| C35 | N5 | C6 | O7 | 2.2° | 0.1° |
| C35 | N5 | C6 | C24 | 179.1° | 180.0° |
| N5 | C35 | C42 | H34 | 43.8° | 51.8° |
| N5 | C35 | C42 | H35 | 75.7° | 68.8° |
| N5 | C6 | O7 | C24 | 178.7° | 179.9° |
| N5 | C6 | C24 | N28 | 14.9° | 180.0° |
| N5 | C6 | C24 | O25 | 161.0° | 0.3° |
| C6 | N5 | C35 | H15 | 31.4° | 34.4° |
| O7 | C6 | C24 | N28 | 166.3° | 0.0° |
| O7 | C6 | C24 | O25 | 17.8° | 179.7° |
| O7 | C6 | N5 | H17 | 177.8° | 180.0° |
| C6 | C24 | N28 | O25 | 176.2° | 179.7° |
| C6 | C24 | N28 | C27 | 176.1° | 179.7° |
| C6 | C24 | O25 | N26 | 176.0° | 179.7° |
| C24 | C6 | N5 | H17 | 0.9° | 0.1° |
| N28 | C24 | O25 | N26 | 0.6° | 0.0° |
| C24 | N28 | C27 | N26 | 0.5° | 0.0° |
| C24 | N28 | C27 | C29 | 177.4° | 180.0° |
| O25 | C24 | N28 | C27 | 0.1° | 0.0° |
| C24 | O25 | N26 | C27 | 0.9° | 0.0° |
| N28 | C27 | N26 | O25 | 0.8° | 0.0° |
| N28 | C27 | C29 | C32 | 68.8° | 180.0° |
| N28 | C27 | N26 | C29 | 177.8° | 180.0° |
| N28 | C27 | C29 | C31 | 52.2° | 60.0° |
| N28 | C27 | C29 | C30 | 172.1° | 60.0° |
| O25 | N26 | C27 | C29 | 177.0° | 180.0° |
| C32 | C29 | C27 | N26 | 113.5° | 0.1° |
| C32 | C29 | C27 | C31 | 121.1° | 120.0° |
| C32 | C29 | C27 | C30 | 119.0° | 120.0° |
| C32 | C29 | C31 | C30 | 119.5° | 120.0° |
| C32 | C29 | C30 | H6 | 180.0° | 179.9° |
| C32 | C29 | C30 | H7 | 60.0° | 60.0° |
| C32 | C29 | C30 | H8 | 60.0° | 59.9° |
| C32 | C29 | C31 | H9 | 180.0° | 60.0° |
| C32 | C29 | C31 | H10 | 60.0° | 60.0° |
| C32 | C29 | C31 | H11 | 60.0° | 180.0° |
| C29 | C32 | H12 | H13 | 120.0° | 120.0° |
| C29 | C32 | H12 | H14 | 120.0° | 120.0° |
| C29 | C32 | H13 | H14 | 120.0° | 119.9° |
| N26 | C27 | C29 | C31 | 125.4° | 120.0° |
| N26 | C27 | C29 | C30 | 5.5° | 120.0° |
| C27 | C29 | C31 | C30 | 119.8° | 120.0° |
| C27 | C29 | C30 | H6 | 60.4° | 60.0° |
| C27 | C29 | C30 | H7 | 179.6° | 179.9° |
| C27 | C29 | C30 | H8 | 59.6° | 60.0° |
| C27 | C29 | C31 | H9 | 59.2° | 60.0° |
| C27 | C29 | C31 | H10 | 60.7° | 180.0° |
| C27 | C29 | C31 | H11 | 179.3° | 60.0° |
| C27 | C29 | C32 | H12 | 180.0° | 60.0° |
| C27 | C29 | C32 | H13 | 60.0° | 180.0° |
| C27 | C29 | C32 | H14 | 60.0° | 60.0° |
| C31 | C29 | C30 | H6 | 59.6° | 60.0° |
| C31 | C29 | C30 | H7 | 60.4° | 60.1° |
| C31 | C29 | C30 | H8 | 179.6° | 180.0° |
| C29 | C31 | H9 | H10 | 120.0° | 120.0° |
| C29 | C31 | H9 | H11 | 120.0° | 120.0° |
| C29 | C31 | H10 | H11 | 120.0° | 120.0° |
| C31 | C29 | C32 | H12 | 59.3° | 180.0° |
| C31 | C29 | C32 | H13 | 60.7° | 60.0° |
| C31 | C29 | C32 | H14 | 179.4° | 59.9° |
| C29 | C30 | H6 | H7 | 120.0° | 120.0° |
| C29 | C30 | H6 | H8 | 120.0° | 120.0° |
| C29 | C30 | H7 | H8 | 120.0° | 119.9° |
| C30 | C29 | C31 | H9 | 60.5° | 180.0° |
| C30 | C29 | C31 | H10 | 179.5° | 60.0° |
| C30 | C29 | C31 | H11 | 59.5° | 60.0° |
| C30 | C29 | C32 | H12 | 60.6° | 60.0° |
| C30 | C29 | C32 | H13 | 179.4° | 60.0° |
| C30 | C29 | C32 | H14 | 59.4° | 180.0° |
| H1 | C2 | C3 | H2 | 0.1° | 0.0° |
| H3 | C9 | C10 | H4 | 0.5° | 0.0° |
| H5 | C22 | C37 | H26 | 34.1° | 177.1° |
| H5 | C22 | C37 | H27 | 151.7° | 57.0° |
| H5 | C22 | C41 | H32 | 133.0° | 56.9° |
| H5 | C22 | C41 | H33 | 14.0° | 177.1° |
| H6 | C30 | H7 | H8 | 120.0° | 120.0° |
| H9 | C31 | H10 | H11 | 120.0° | 120.0° |
| H12 | C32 | H13 | H14 | 120.0° | 120.0° |
| H15 | C35 | N5 | H17 | 148.6° | 145.5° |
| H15 | C35 | C42 | H34 | 70.5° | 171.2° |
| H15 | C35 | C42 | H35 | 170.1° | 50.6° |
| H21 | C23 | H22 | H23 | 120.0° | 120.0° |
| H24 | C36 | C43 | H36 | 12.7° | 51.7° |
| H24 | C36 | C43 | H37 | 106.0° | 68.8° |
| H25 | C36 | C43 | H36 | 130.5° | 171.2° |
| H25 | C36 | C43 | H37 | 11.7° | 50.6° |
| H26 | C37 | C38 | H28 | 0.7° | 57.7° |
| H26 | C37 | C38 | H29 | 118.6° | 177.7° |
| H27 | C37 | C38 | H28 | 118.3° | 62.5° |
| H27 | C37 | C38 | H29 | 1.0° | 57.6° |
| H30 | C40 | C41 | H32 | 38.3° | 62.5° |
| H30 | C40 | C41 | H33 | 157.3° | 57.8° |
| H31 | C40 | C41 | H32 | 81.2° | 57.5° |
| H31 | C40 | C41 | H33 | 37.8° | 177.7° |
| H34 | C42 | C43 | H36 | 45.7° | 169.5° |
| H34 | C42 | C43 | H37 | 73.1° | 69.9° |
| H35 | C42 | C43 | H36 | 165.2° | 69.9° |
| H35 | C42 | C43 | H37 | 46.4° | 50.7° |
