MI9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C38 | sing | 1.46Å | 1.46Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C42 | C41 | sing | 1.47Å | 1.47Å | |
| C38 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.41Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.46Å | 1.46Å | |
| C17 | N37 | sing | 1.34Å | 1.34Å | Aromatic |
| C16 | C15 | doub | 1.46Å | 1.46Å | |
| C41 | C40 | sing | 1.51Å | 1.51Å | |
| C21 | N37 | sing | 1.36Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.44Å | 1.44Å | |
| N37 | MO | sing | 2.09Å | 2.09Å | |
| C15 | C40 | sing | 1.41Å | 1.41Å | |
| C15 | N14 | sing | 1.31Å | 1.31Å | |
| C40 | C02 | doub | 1.35Å | 1.35Å | |
| C22 | C23 | doub | 1.46Å | 1.46Å | |
| O36 | C34 | doub | 1.27Å | 1.27Å | |
| N14 | C03 | doub | 1.32Å | 1.32Å | |
| N14 | MO | sing | 2.12Å | 2.12Å | |
| C02 | C01 | sing | 1.50Å | 1.50Å | |
| C02 | C03 | sing | 1.39Å | 1.39Å | |
| C23 | C25 | sing | 1.39Å | 1.39Å | |
| C23 | N24 | sing | 1.36Å | 1.36Å | |
| C33 | C34 | sing | 1.52Å | 1.52Å | |
| C33 | C32 | sing | 1.55Å | 1.55Å | |
| C26 | C25 | sing | 1.50Å | 1.50Å | |
| C03 | C04 | sing | 1.48Å | 1.48Å | |
| C25 | C27 | doub | 1.37Å | 1.37Å | |
| C34 | O35 | sing | 1.24Å | 1.24Å | |
| N24 | MO | sing | 2.06Å | 2.06Å | |
| N24 | C28 | doub | 1.36Å | 1.36Å | |
| MO | N31 | sing | 2.09Å | 2.09Å | |
| MO | O | doub | 1.78Å | 1.78Å | |
| C27 | C28 | sing | 1.39Å | 1.39Å | |
| C27 | C32 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | sing | 1.46Å | 1.46Å | |
| C04 | C05 | doub | 1.47Å | 1.47Å | |
| N31 | C05 | sing | 1.38Å | 1.38Å | |
| N31 | C30 | sing | 1.34Å | 1.34Å | |
| C05 | C06 | sing | 1.39Å | 1.39Å | |
| C29 | C30 | doub | 1.47Å | 1.47Å | |
| C30 | C08 | sing | 1.40Å | 1.40Å | |
| C06 | C08 | doub | 1.39Å | 1.39Å | |
| C06 | C07 | sing | 1.51Å | 1.51Å | |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C09 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| O12 | C11 | doub | 1.25Å | 1.25Å | |
| C11 | O13 | sing | 1.25Å | 1.25Å | |
| O35 | H1 | sing | 0.95Å | 0.95Å | |
| C33 | H2 | sing | 1.10Å | 1.10Å | |
| C33 | H3 | sing | 1.10Å | 1.10Å | |
| C32 | H4 | sing | 1.10Å | 1.10Å | |
| C32 | H5 | sing | 1.10Å | 1.10Å | |
| C29 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.10Å | 1.10Å | |
| C09 | H8 | sing | 1.10Å | 1.10Å | |
| C10 | H9 | sing | 1.10Å | 1.10Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| O13 | H11 | sing | 0.95Å | 0.95Å | |
| C07 | H12 | sing | 1.10Å | 1.10Å | |
| C07 | H13 | sing | 1.10Å | 1.10Å | |
| C07 | H14 | sing | 1.10Å | 1.10Å | |
| C04 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.10Å | 1.10Å | |
| C26 | H17 | sing | 1.10Å | 1.10Å | |
| C26 | H18 | sing | 1.10Å | 1.10Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C38 | H20 | sing | 1.10Å | 1.10Å | |
| C38 | H21 | sing | 1.10Å | 1.10Å | |
| C39 | H22 | sing | 1.10Å | 1.10Å | |
| C39 | H23 | sing | 1.10Å | 1.10Å | |
| C39 | H24 | sing | 1.10Å | 1.10Å | |
| C19 | H25 | sing | 1.10Å | 1.10Å | |
| C19 | H26 | sing | 1.10Å | 1.10Å | |
| C19 | H27 | sing | 1.10Å | 1.10Å | |
| C16 | H28 | sing | 1.08Å | 1.08Å | |
| C41 | H29 | sing | 1.10Å | 1.10Å | |
| C41 | H30 | sing | 1.10Å | 1.10Å | |
| C42 | H31 | sing | 1.10Å | 1.10Å | |
| C42 | H32 | sing | 1.10Å | 1.10Å | |
| C42 | H33 | sing | 1.10Å | 1.10Å | |
| C01 | H34 | sing | 1.10Å | 1.10Å | |
| C01 | H35 | sing | 1.10Å | 1.10Å | |
| C01 | H36 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C38 | C20 | 109.8° | 109.8° |
| C39 | C38 | H20 | 109.4° | 109.4° |
| C39 | C38 | H21 | 109.4° | 109.4° |
| C38 | C39 | H22 | 109.5° | 109.5° |
| C38 | C39 | H23 | 109.5° | 109.5° |
| C38 | C39 | H24 | 109.4° | 109.4° |
| C19 | C18 | C20 | 127.7° | 127.7° |
| C19 | C18 | C17 | 127.0° | 127.0° |
| C18 | C19 | H25 | 109.5° | 109.5° |
| C18 | C19 | H26 | 109.5° | 109.5° |
| C18 | C19 | H27 | 109.5° | 109.5° |
| C42 | C41 | C40 | 113.2° | 113.2° |
| C42 | C41 | H29 | 108.5° | 108.5° |
| C42 | C41 | H30 | 108.5° | 108.5° |
| C41 | C42 | H31 | 109.5° | 109.5° |
| C41 | C42 | H32 | 109.5° | 109.5° |
| C41 | C42 | H33 | 109.5° | 109.5° |
| C38 | C20 | C18 | 126.9° | 126.9° |
| C38 | C20 | C21 | 128.3° | 128.3° |
| C20 | C38 | H20 | 109.4° | 109.4° |
| C20 | C38 | H21 | 109.4° | 109.4° |
| C20 | C18 | C17 | 105.2° | 105.2° |
| C18 | C20 | C21 | 104.7° | 104.7° |
| C18 | C17 | C16 | 125.6° | 125.6° |
| C18 | C17 | N37 | 113.8° | 113.8° |
| C20 | C21 | N37 | 113.6° | 113.6° |
| C20 | C21 | C22 | 124.3° | 124.3° |
| C16 | C17 | N37 | 120.6° | 120.6° |
| C17 | C16 | C15 | 129.6° | 129.6° |
| C17 | C16 | H28 | 115.2° | 115.2° |
| C17 | N37 | C21 | 102.7° | 102.7° |
| C17 | N37 | MO | 129.3° | 129.3° |
| C16 | C15 | C40 | 125.2° | 125.2° |
| C16 | C15 | N14 | 122.3° | 122.3° |
| C15 | C16 | H28 | 115.2° | 115.2° |
| C41 | C40 | C15 | 125.6° | 125.6° |
| C41 | C40 | C02 | 129.3° | 129.3° |
| C40 | C41 | H29 | 108.5° | 108.5° |
| C40 | C41 | H30 | 108.5° | 108.5° |
| N37 | C21 | C22 | 122.2° | 122.2° |
| C21 | N37 | MO | 127.4° | 127.4° |
| C21 | C22 | C23 | 129.0° | 129.0° |
| C21 | C22 | H19 | 115.5° | 115.5° |
| N37 | MO | N14 | 88.5° | 88.5° |
| N37 | MO | N24 | 89.8° | 89.8° |
| N37 | MO | N31 | 165.0° | 165.0° |
| N37 | MO | O | 97.7° | 97.7° |
| C40 | C15 | N14 | 112.5° | 112.5° |
| C15 | C40 | C02 | 105.1° | 105.1° |
| C15 | N14 | C03 | 104.3° | 104.3° |
| C15 | N14 | MO | 128.4° | 128.4° |
| C40 | C02 | C01 | 127.9° | 127.9° |
| C40 | C02 | C03 | 104.8° | 104.8° |
| C22 | C23 | C25 | 124.8° | 124.8° |
| C22 | C23 | N24 | 121.7° | 121.7° |
| C23 | C22 | H19 | 115.5° | 115.5° |
| O36 | C34 | C33 | 120.5° | 120.5° |
| O36 | C34 | O35 | 120.8° | 120.8° |
| C03 | N14 | MO | 127.0° | 127.0° |
| N14 | C03 | C02 | 113.3° | 113.3° |
| N14 | C03 | C04 | 123.6° | 123.6° |
| N14 | MO | N24 | 165.1° | 165.1° |
| N14 | MO | N31 | 90.6° | 90.6° |
| N14 | MO | O | 96.3° | 96.3° |
| C01 | C02 | C03 | 127.3° | 127.3° |
| C02 | C01 | H34 | 109.5° | 109.5° |
| C02 | C01 | H35 | 109.4° | 109.4° |
| C02 | C01 | H36 | 109.5° | 109.5° |
| C02 | C03 | C04 | 123.1° | 123.1° |
| C25 | C23 | N24 | 113.5° | 113.5° |
| C23 | C25 | C26 | 128.5° | 128.5° |
| C23 | C25 | C27 | 106.4° | 106.4° |
| C23 | N24 | MO | 128.0° | 128.0° |
| C23 | N24 | C28 | 100.9° | 100.9° |
| C34 | C33 | C32 | 112.2° | 112.2° |
| C33 | C34 | O35 | 118.7° | 118.7° |
| C34 | C33 | H2 | 108.8° | 108.8° |
| C34 | C33 | H3 | 108.8° | 108.8° |
| C33 | C32 | C27 | 108.0° | 108.0° |
| C32 | C33 | H2 | 108.8° | 108.8° |
| C32 | C33 | H3 | 108.8° | 108.8° |
| C33 | C32 | H4 | 109.8° | 109.8° |
| C33 | C32 | H5 | 109.8° | 109.8° |
| C26 | C25 | C27 | 125.0° | 125.0° |
| C25 | C26 | H16 | 109.5° | 109.5° |
| C25 | C26 | H17 | 109.5° | 109.5° |
| C25 | C26 | H18 | 109.5° | 109.5° |
| C03 | C04 | C05 | 128.4° | 128.4° |
| C03 | C04 | H15 | 115.8° | 115.8° |
| C25 | C27 | C28 | 103.9° | 103.9° |
| C25 | C27 | C32 | 125.6° | 125.6° |
| C34 | O35 | H1 | 109.5° | 109.5° |
| MO | N24 | C28 | 130.5° | 130.5° |
| N24 | MO | N31 | 87.2° | 87.2° |
| N24 | MO | O | 98.6° | 98.6° |
| N24 | C28 | C27 | 115.3° | 115.3° |
| N24 | C28 | C29 | 121.7° | 121.7° |
| N31 | MO | O | 97.3° | 97.3° |
| MO | N31 | C05 | 126.8° | 126.8° |
| MO | N31 | C30 | 131.3° | 131.3° |
| C28 | C27 | C32 | 130.5° | 130.5° |
| C27 | C28 | C29 | 123.0° | 123.0° |
| C27 | C32 | H4 | 109.9° | 109.9° |
| C27 | C32 | H5 | 109.8° | 109.8° |
| C28 | C29 | C30 | 127.8° | 127.8° |
| C28 | C29 | H6 | 116.1° | 116.1° |
| C04 | C05 | N31 | 122.2° | 122.2° |
| C04 | C05 | C06 | 123.8° | 123.8° |
| C05 | C04 | H15 | 115.8° | 115.8° |
| C05 | N31 | C30 | 101.7° | 101.7° |
| N31 | C05 | C06 | 113.9° | 113.9° |
| N31 | C30 | C29 | 120.3° | 120.3° |
| N31 | C30 | C08 | 114.4° | 114.4° |
| C05 | C06 | C08 | 104.9° | 104.9° |
| C05 | C06 | C07 | 126.4° | 126.4° |
| C29 | C30 | C08 | 125.1° | 125.1° |
| C30 | C29 | H6 | 116.1° | 116.1° |
| C30 | C08 | C06 | 104.9° | 104.9° |
| C30 | C08 | C09 | 128.3° | 128.3° |
| C08 | C06 | C07 | 128.6° | 128.6° |
| C06 | C08 | C09 | 126.8° | 126.8° |
| C06 | C07 | H12 | 109.5° | 109.5° |
| C06 | C07 | H13 | 109.4° | 109.5° |
| C06 | C07 | H14 | 109.5° | 109.5° |
| C08 | C09 | C10 | 110.4° | 110.4° |
| C08 | C09 | H7 | 109.2° | 109.2° |
| C08 | C09 | H8 | 109.3° | 109.3° |
| C09 | C10 | C11 | 115.6° | 115.6° |
| C10 | C09 | H7 | 109.3° | 109.3° |
| C10 | C09 | H8 | 109.3° | 109.3° |
| C09 | C10 | H9 | 107.9° | 107.9° |
| C09 | C10 | H10 | 107.9° | 107.9° |
| C10 | C11 | O12 | 119.3° | 119.3° |
| C10 | C11 | O13 | 116.6° | 116.6° |
| C11 | C10 | H9 | 107.9° | 107.9° |
| C11 | C10 | H10 | 107.9° | 107.9° |
| O12 | C11 | O13 | 124.0° | 124.0° |
| C11 | O13 | H11 | 109.5° | 109.5° |
| H2 | C33 | H3 | 109.5° | 109.5° |
| H4 | C32 | H5 | 109.5° | 109.5° |
| H7 | C09 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H12 | C07 | H13 | 109.5° | 109.5° |
| H12 | C07 | H14 | 109.5° | 109.5° |
| H13 | C07 | H14 | 109.5° | 109.5° |
| H16 | C26 | H17 | 109.4° | 109.4° |
| H16 | C26 | H18 | 109.5° | 109.5° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H20 | C38 | H21 | 109.5° | 109.5° |
| H22 | C39 | H23 | 109.5° | 109.5° |
| H22 | C39 | H24 | 109.5° | 109.5° |
| H23 | C39 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.4° |
| H25 | C19 | H27 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.4° | 109.5° |
| H29 | C41 | H30 | 109.5° | 109.5° |
| H31 | C42 | H32 | 109.4° | 109.5° |
| H31 | C42 | H33 | 109.5° | 109.5° |
| H32 | C42 | H33 | 109.5° | 109.4° |
| H34 | C01 | H35 | 109.5° | 109.5° |
| H34 | C01 | H36 | 109.4° | 109.4° |
| H35 | C01 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C38 | C20 | H20 | 120.1° | 120.1° |
| C39 | C38 | C20 | H21 | 120.1° | 120.0° |
| C39 | C38 | C20 | C18 | 88.2° | 88.2° |
| C39 | C38 | C20 | C21 | 96.4° | 96.4° |
| C39 | C38 | H20 | H21 | 119.9° | 119.8° |
| C38 | C39 | H22 | H23 | 120.0° | 120.0° |
| C38 | C39 | H22 | H24 | 120.0° | 120.0° |
| C38 | C39 | H23 | H24 | 120.0° | 120.0° |
| C19 | C18 | C20 | C38 | 2.7° | 2.7° |
| C19 | C18 | C20 | C17 | 178.8° | 178.8° |
| C19 | C18 | C20 | C21 | 179.0° | 179.0° |
| C19 | C18 | C17 | C16 | 2.0° | 2.0° |
| C19 | C18 | C17 | N37 | 179.0° | 179.0° |
| C18 | C19 | H25 | H26 | 120.0° | 120.0° |
| C18 | C19 | H25 | H27 | 120.0° | 120.0° |
| C18 | C19 | H26 | H27 | 120.0° | 120.0° |
| C42 | C41 | C40 | H29 | 120.6° | 120.6° |
| C42 | C41 | C40 | H30 | 120.5° | 120.5° |
| C42 | C41 | C40 | C15 | 109.1° | 109.1° |
| C42 | C41 | C40 | C02 | 71.1° | 71.1° |
| C42 | C41 | H29 | H30 | 118.3° | 118.3° |
| C41 | C42 | H31 | H32 | 120.0° | 120.0° |
| C41 | C42 | H31 | H33 | 120.0° | 120.0° |
| C41 | C42 | H32 | H33 | 120.0° | 120.0° |
| C38 | C20 | C18 | C21 | 176.3° | 176.3° |
| C38 | C20 | C18 | C17 | 176.1° | 176.1° |
| C38 | C20 | C21 | N37 | 176.0° | 176.0° |
| C38 | C20 | C21 | C22 | 3.3° | 3.3° |
| C20 | C38 | H20 | H21 | 119.8° | 119.8° |
| C20 | C38 | C39 | H22 | 180.0° | 180.0° |
| C20 | C38 | C39 | H23 | 60.0° | 60.0° |
| C20 | C38 | C39 | H24 | 60.0° | 60.0° |
| C20 | C18 | C17 | C16 | 179.2° | 179.2° |
| C20 | C18 | C17 | N37 | 0.2° | 0.2° |
| C18 | C20 | C21 | N37 | 0.2° | 0.2° |
| C18 | C20 | C21 | C22 | 179.6° | 179.6° |
| C18 | C20 | C38 | H20 | 31.9° | 31.9° |
| C18 | C20 | C38 | H21 | 151.8° | 151.8° |
| C20 | C18 | C19 | H25 | 89.3° | 89.3° |
| C20 | C18 | C19 | H26 | 150.7° | 150.8° |
| C20 | C18 | C19 | H27 | 30.8° | 30.8° |
| C17 | C18 | C20 | C21 | 0.3° | 0.3° |
| C18 | C17 | C16 | N37 | 178.9° | 178.9° |
| C18 | C17 | C16 | C15 | 178.9° | 178.9° |
| C18 | C17 | N37 | C21 | 0.1° | 0.1° |
| C18 | C17 | N37 | MO | 172.3° | 172.3° |
| C17 | C18 | C19 | H25 | 89.2° | 89.2° |
| C17 | C18 | C19 | H26 | 30.8° | 30.7° |
| C17 | C18 | C19 | H27 | 150.7° | 150.7° |
| C18 | C17 | C16 | H28 | 1.1° | 1.1° |
| C20 | C21 | N37 | C17 | 0.1° | 0.1° |
| C20 | C21 | N37 | C22 | 179.4° | 179.4° |
| C20 | C21 | N37 | MO | 172.3° | 172.3° |
| C20 | C21 | C22 | C23 | 177.8° | 177.8° |
| C20 | C21 | C22 | H19 | 2.2° | 2.2° |
| C21 | C20 | C38 | H20 | 143.6° | 143.6° |
| C21 | C20 | C38 | H21 | 23.7° | 23.6° |
| C17 | C16 | C15 | H28 | 180.0° | 180.0° |
| C16 | C17 | N37 | C21 | 179.1° | 179.1° |
| C16 | C17 | N37 | MO | 8.7° | 8.7° |
| C17 | C16 | C15 | C40 | 178.8° | 178.8° |
| C17 | C16 | C15 | N14 | 0.3° | 0.3° |
| N37 | C17 | C16 | C15 | 0.1° | 0.1° |
| C17 | N37 | C21 | MO | 172.4° | 172.4° |
| C17 | N37 | C21 | C22 | 179.5° | 179.5° |
| C17 | N37 | MO | N14 | 11.9° | 11.9° |
| C17 | N37 | MO | N24 | 177.0° | 177.0° |
| C17 | N37 | MO | N31 | 98.6° | 98.6° |
| C17 | N37 | MO | O | 84.3° | 84.3° |
| N37 | C17 | C16 | H28 | 179.9° | 179.9° |
| C16 | C15 | C40 | C41 | 0.9° | 0.9° |
| C16 | C15 | C40 | N14 | 178.6° | 178.6° |
| C16 | C15 | C40 | C02 | 179.3° | 179.3° |
| C16 | C15 | N14 | C03 | 178.5° | 178.5° |
| C16 | C15 | N14 | MO | 7.8° | 7.8° |
| C41 | C40 | C15 | C02 | 179.8° | 179.8° |
| C41 | C40 | C15 | N14 | 177.7° | 177.7° |
| C41 | C40 | C02 | C01 | 1.3° | 1.3° |
| C41 | C40 | C02 | C03 | 179.4° | 179.4° |
| C40 | C41 | H29 | H30 | 118.3° | 118.3° |
| C40 | C41 | C42 | H31 | 180.0° | 180.0° |
| C40 | C41 | C42 | H32 | 60.0° | 60.0° |
| C40 | C41 | C42 | H33 | 60.0° | 60.0° |
| N37 | C21 | C22 | C23 | 2.9° | 2.9° |
| C21 | N37 | MO | N14 | 177.8° | 177.8° |
| C21 | N37 | MO | N24 | 12.6° | 12.6° |
| C21 | N37 | MO | N31 | 91.1° | 91.1° |
| C21 | N37 | MO | O | 86.0° | 86.0° |
| N37 | C21 | C22 | H19 | 177.1° | 177.1° |
| C22 | C21 | N37 | MO | 7.1° | 7.1° |
| C21 | C22 | C23 | H19 | 180.0° | 180.0° |
| C21 | C22 | C23 | C25 | 176.3° | 176.3° |
| C21 | C22 | C23 | N24 | 1.4° | 1.4° |
| N37 | MO | N14 | C15 | 11.3° | 11.3° |
| N37 | MO | N14 | C03 | 176.3° | 176.3° |
| N37 | MO | N14 | N24 | 83.5° | 83.5° |
| N37 | MO | N14 | N31 | 165.0° | 165.0° |
| N37 | MO | N14 | O | 97.5° | 97.5° |
| N37 | MO | N24 | C23 | 14.1° | 14.1° |
| N37 | MO | N24 | N31 | 165.3° | 165.3° |
| N37 | MO | N24 | O | 97.7° | 97.7° |
| N37 | MO | N24 | C28 | 176.1° | 176.1° |
| N37 | MO | N31 | O | 177.1° | 177.1° |
| N37 | MO | N31 | C05 | 98.1° | 98.1° |
| N37 | MO | N31 | C30 | 89.3° | 89.3° |
| C40 | C15 | N14 | C03 | 2.9° | 2.9° |
| C40 | C15 | N14 | MO | 170.8° | 170.8° |
| C15 | C40 | C02 | C01 | 178.9° | 178.9° |
| C15 | C40 | C02 | C03 | 0.4° | 0.4° |
| C40 | C15 | C16 | H28 | 1.2° | 1.2° |
| C15 | C40 | C41 | H29 | 130.3° | 130.3° |
| C15 | C40 | C41 | H30 | 11.4° | 11.4° |
| N14 | C15 | C40 | C02 | 2.1° | 2.1° |
| C15 | N14 | C03 | MO | 173.8° | 173.8° |
| C15 | N14 | C03 | C02 | 2.6° | 2.6° |
| C15 | N14 | C03 | C04 | 179.3° | 179.3° |
| C15 | N14 | MO | N24 | 94.9° | 94.9° |
| C15 | N14 | MO | N31 | 176.4° | 176.4° |
| C15 | N14 | MO | O | 86.2° | 86.2° |
| N14 | C15 | C16 | H28 | 179.7° | 179.7° |
| C40 | C02 | C03 | N14 | 1.4° | 1.4° |
| C40 | C02 | C01 | C03 | 179.1° | 179.1° |
| C40 | C02 | C03 | C04 | 179.5° | 179.5° |
| C02 | C40 | C41 | H29 | 49.4° | 49.4° |
| C02 | C40 | C41 | H30 | 168.3° | 168.3° |
| C40 | C02 | C01 | H34 | 180.0° | 180.0° |
| C40 | C02 | C01 | H35 | 60.0° | 60.0° |
| C40 | C02 | C01 | H36 | 60.0° | 60.0° |
| C22 | C23 | C25 | N24 | 177.9° | 177.9° |
| C22 | C23 | C25 | C26 | 6.0° | 6.0° |
| C22 | C23 | C25 | C27 | 177.8° | 177.8° |
| C22 | C23 | N24 | MO | 10.0° | 10.0° |
| C22 | C23 | N24 | C28 | 177.8° | 177.8° |
| O36 | C34 | C33 | O35 | 178.7° | 178.7° |
| O36 | C34 | C33 | C32 | 126.0° | 126.0° |
| O36 | C34 | O35 | H1 | 0.0° | 0.0° |
| O36 | C34 | C33 | H2 | 113.6° | 113.6° |
| O36 | C34 | C33 | H3 | 5.5° | 5.6° |
| N14 | C03 | C02 | C01 | 179.3° | 179.3° |
| N14 | C03 | C02 | C04 | 178.1° | 178.1° |
| C03 | N14 | MO | N24 | 92.8° | 92.8° |
| C03 | N14 | MO | N31 | 11.3° | 11.3° |
| C03 | N14 | MO | O | 86.1° | 86.1° |
| N14 | C03 | C04 | C05 | 1.9° | 1.9° |
| N14 | C03 | C04 | H15 | 178.1° | 178.1° |
| MO | N14 | C03 | C02 | 171.2° | 171.2° |
| N14 | MO | N24 | C23 | 97.5° | 97.5° |
| MO | N14 | C03 | C04 | 6.9° | 6.9° |
| N14 | MO | N24 | N31 | 82.0° | 82.0° |
| N14 | MO | N24 | O | 178.9° | 178.9° |
| N14 | MO | N24 | C28 | 92.7° | 92.7° |
| N14 | MO | N31 | O | 96.5° | 96.5° |
| N14 | MO | N31 | C05 | 11.7° | 11.7° |
| N14 | MO | N31 | C30 | 175.7° | 175.7° |
| C01 | C02 | C03 | C04 | 1.3° | 1.3° |
| C02 | C01 | H34 | H35 | 120.0° | 120.0° |
| C02 | C01 | H34 | H36 | 120.0° | 120.0° |
| C02 | C01 | H35 | H36 | 120.0° | 120.0° |
| C02 | C03 | C04 | C05 | 179.8° | 179.8° |
| C02 | C03 | C04 | H15 | 0.2° | 0.2° |
| C03 | C02 | C01 | H34 | 0.9° | 0.9° |
| C03 | C02 | C01 | H35 | 119.1° | 119.1° |
| C03 | C02 | C01 | H36 | 120.9° | 120.9° |
| C23 | C25 | C26 | C27 | 175.5° | 175.5° |
| C25 | C23 | N24 | MO | 172.0° | 172.0° |
| C25 | C23 | N24 | C28 | 0.1° | 0.1° |
| C23 | C25 | C27 | C28 | 0.0° | 0.0° |
| C23 | C25 | C27 | C32 | 178.2° | 178.2° |
| C23 | C25 | C26 | H16 | 180.0° | 180.0° |
| C23 | C25 | C26 | H17 | 60.0° | 60.0° |
| C23 | C25 | C26 | H18 | 60.0° | 60.0° |
| C25 | C23 | C22 | H19 | 3.7° | 3.7° |
| N24 | C23 | C25 | C26 | 176.1° | 176.1° |
| N24 | C23 | C25 | C27 | 0.1° | 0.1° |
| C23 | N24 | MO | C28 | 169.8° | 169.8° |
| C23 | N24 | MO | N31 | 179.4° | 179.4° |
| C23 | N24 | MO | O | 83.6° | 83.6° |
| C23 | N24 | C28 | C27 | 0.2° | 0.2° |
| C23 | N24 | C28 | C29 | 177.9° | 177.9° |
| N24 | C23 | C22 | H19 | 178.6° | 178.6° |
| C34 | C33 | C32 | H2 | 120.4° | 120.4° |
| C34 | C33 | C32 | H3 | 120.4° | 120.4° |
| C34 | C33 | C32 | C27 | 178.9° | 178.9° |
| C33 | C34 | O35 | H1 | 178.6° | 178.6° |
| C34 | C33 | H2 | H3 | 118.7° | 118.8° |
| C34 | C33 | C32 | H4 | 59.1° | 59.1° |
| C34 | C33 | C32 | H5 | 61.3° | 61.3° |
| C33 | C32 | C27 | C25 | 87.4° | 87.4° |
| C32 | C33 | C34 | O35 | 52.7° | 52.7° |
| C33 | C32 | C27 | C28 | 90.2° | 90.2° |
| C33 | C32 | C27 | H4 | 119.8° | 119.8° |
| C33 | C32 | C27 | H5 | 119.8° | 119.8° |
| C32 | C33 | H2 | H3 | 118.8° | 118.7° |
| C33 | C32 | H4 | H5 | 120.7° | 120.7° |
| C26 | C25 | C27 | C28 | 176.4° | 176.4° |
| C26 | C25 | C27 | C32 | 5.5° | 5.5° |
| C25 | C26 | H16 | H17 | 120.0° | 120.0° |
| C25 | C26 | H16 | H18 | 120.0° | 120.0° |
| C25 | C26 | H17 | H18 | 120.0° | 120.0° |
| C03 | C04 | C05 | H15 | 180.0° | 180.0° |
| C03 | C04 | C05 | N31 | 1.4° | 1.4° |
| C03 | C04 | C05 | C06 | 179.8° | 179.8° |
| C25 | C27 | C28 | N24 | 0.1° | 0.1° |
| C25 | C27 | C28 | C32 | 178.0° | 178.0° |
| C25 | C27 | C28 | C29 | 177.8° | 177.8° |
| C25 | C27 | C32 | H4 | 32.4° | 32.4° |
| C25 | C27 | C32 | H5 | 152.9° | 152.9° |
| C27 | C25 | C26 | H16 | 4.5° | 4.5° |
| C27 | C25 | C26 | H17 | 115.5° | 115.5° |
| C27 | C25 | C26 | H18 | 124.5° | 124.5° |
| O35 | C34 | C33 | H2 | 67.7° | 67.7° |
| O35 | C34 | C33 | H3 | 173.1° | 173.1° |
| N24 | MO | N31 | O | 98.3° | 98.3° |
| MO | N24 | C28 | C27 | 171.7° | 171.7° |
| MO | N24 | C28 | C29 | 6.1° | 6.1° |
| N24 | MO | N31 | C05 | 176.9° | 176.9° |
| N24 | MO | N31 | C30 | 10.5° | 10.5° |
| C28 | N24 | MO | N31 | 10.8° | 10.8° |
| C28 | N24 | MO | O | 86.2° | 86.2° |
| N24 | C28 | C27 | C29 | 177.7° | 177.7° |
| N24 | C28 | C27 | C32 | 178.1° | 178.1° |
| N24 | C28 | C29 | C30 | 4.5° | 4.5° |
| N24 | C28 | C29 | H6 | 175.6° | 175.6° |
| MO | N31 | C05 | C04 | 7.9° | 7.9° |
| MO | N31 | C05 | C30 | 174.3° | 174.3° |
| MO | N31 | C05 | C06 | 171.0° | 171.0° |
| MO | N31 | C30 | C29 | 5.3° | 5.3° |
| MO | N31 | C30 | C08 | 170.8° | 170.8° |
| O | MO | N31 | C05 | 84.8° | 84.8° |
| O | MO | N31 | C30 | 87.8° | 87.8° |
| C27 | C28 | C29 | C30 | 178.0° | 178.0° |
| C28 | C27 | C32 | H4 | 150.0° | 150.0° |
| C28 | C27 | C32 | H5 | 29.5° | 29.5° |
| C27 | C28 | C29 | H6 | 2.0° | 2.0° |
| C32 | C27 | C28 | C29 | 4.2° | 4.2° |
| C27 | C32 | C33 | H2 | 60.7° | 60.7° |
| C27 | C32 | C33 | H3 | 58.5° | 58.5° |
| C27 | C32 | H4 | H5 | 120.7° | 120.7° |
| C28 | C29 | C30 | N31 | 4.8° | 4.8° |
| C28 | C29 | C30 | H6 | 180.0° | 180.0° |
| C28 | C29 | C30 | C08 | 179.6° | 179.6° |
| C04 | C05 | N31 | C06 | 178.9° | 178.9° |
| C04 | C05 | N31 | C30 | 177.8° | 177.8° |
| C04 | C05 | C06 | C08 | 178.8° | 178.8° |
| C04 | C05 | C06 | C07 | 1.8° | 1.8° |
| C05 | N31 | C30 | C29 | 179.2° | 179.2° |
| C05 | N31 | C30 | C08 | 3.1° | 3.1° |
| N31 | C05 | C06 | C08 | 2.3° | 2.3° |
| N31 | C05 | C06 | C07 | 177.0° | 177.0° |
| N31 | C05 | C04 | H15 | 178.6° | 178.6° |
| C30 | N31 | C05 | C06 | 3.3° | 3.3° |
| N31 | C30 | C29 | C08 | 175.6° | 175.6° |
| N31 | C30 | C08 | C06 | 1.9° | 1.9° |
| N31 | C30 | C08 | C09 | 179.3° | 179.3° |
| N31 | C30 | C29 | H6 | 175.2° | 175.2° |
| C05 | C06 | C08 | C30 | 0.2° | 0.2° |
| C05 | C06 | C08 | C07 | 179.3° | 179.3° |
| C05 | C06 | C08 | C09 | 178.5° | 178.5° |
| C05 | C06 | C07 | H12 | 180.0° | 180.0° |
| C05 | C06 | C07 | H13 | 60.0° | 60.0° |
| C05 | C06 | C07 | H14 | 60.0° | 60.0° |
| C06 | C05 | C04 | H15 | 0.2° | 0.2° |
| C29 | C30 | C08 | C06 | 177.8° | 177.8° |
| C29 | C30 | C08 | C09 | 3.5° | 3.5° |
| C30 | C08 | C06 | C09 | 178.8° | 178.8° |
| C30 | C08 | C06 | C07 | 179.1° | 179.1° |
| C30 | C08 | C09 | C10 | 87.2° | 87.2° |
| C08 | C30 | C29 | H6 | 0.4° | 0.4° |
| C30 | C08 | C09 | H7 | 32.9° | 32.9° |
| C30 | C08 | C09 | H8 | 152.7° | 152.7° |
| C06 | C08 | C09 | C10 | 94.3° | 94.3° |
| C06 | C08 | C09 | H7 | 145.6° | 145.6° |
| C06 | C08 | C09 | H8 | 25.9° | 25.9° |
| C08 | C06 | C07 | H12 | 0.8° | 0.8° |
| C08 | C06 | C07 | H13 | 120.8° | 120.8° |
| C08 | C06 | C07 | H14 | 119.2° | 119.2° |
| C07 | C06 | C08 | C09 | 2.1° | 2.1° |
| C06 | C07 | H12 | H13 | 120.0° | 120.0° |
| C06 | C07 | H12 | H14 | 120.0° | 120.0° |
| C06 | C07 | H13 | H14 | 120.0° | 120.0° |
| C08 | C09 | C10 | H7 | 120.1° | 120.1° |
| C08 | C09 | C10 | H8 | 120.1° | 120.1° |
| C08 | C09 | C10 | C11 | 175.5° | 175.5° |
| C08 | C09 | H7 | H8 | 119.6° | 119.6° |
| C08 | C09 | C10 | H9 | 54.6° | 54.6° |
| C08 | C09 | C10 | H10 | 63.6° | 63.6° |
| C09 | C10 | C11 | H9 | 120.9° | 120.9° |
| C09 | C10 | C11 | H10 | 120.9° | 120.9° |
| C09 | C10 | C11 | O12 | 9.5° | 9.5° |
| C09 | C10 | C11 | O13 | 169.2° | 169.2° |
| C10 | C09 | H7 | H8 | 119.6° | 119.6° |
| C09 | C10 | H9 | H10 | 117.2° | 117.2° |
| C10 | C11 | O12 | O13 | 178.6° | 178.6° |
| C11 | C10 | C09 | H7 | 64.4° | 64.4° |
| C11 | C10 | C09 | H8 | 55.3° | 55.3° |
| C11 | C10 | H9 | H10 | 117.2° | 117.2° |
| C10 | C11 | O13 | H11 | 178.7° | 178.7° |
| O12 | C11 | C10 | H9 | 111.4° | 111.5° |
| O12 | C11 | C10 | H10 | 130.4° | 130.4° |
| O12 | C11 | O13 | H11 | 0.0° | 0.0° |
| O13 | C11 | C10 | H9 | 69.9° | 69.8° |
| O13 | C11 | C10 | H10 | 48.4° | 48.4° |
| H2 | C33 | C32 | H4 | 179.5° | 179.5° |
| H2 | C33 | C32 | H5 | 59.1° | 59.1° |
| H3 | C33 | C32 | H4 | 61.3° | 61.3° |
| H3 | C33 | C32 | H5 | 178.2° | 178.3° |
| H7 | C09 | C10 | H9 | 174.7° | 174.7° |
| H7 | C09 | C10 | H10 | 56.5° | 56.5° |
| H8 | C09 | C10 | H9 | 65.6° | 65.6° |
| H8 | C09 | C10 | H10 | 176.2° | 176.2° |
| H12 | C07 | H13 | H14 | 120.0° | 120.0° |
| H16 | C26 | H17 | H18 | 120.0° | 120.0° |
| H20 | C38 | C39 | H22 | 59.9° | 59.9° |
| H20 | C38 | C39 | H23 | 60.1° | 60.1° |
| H20 | C38 | C39 | H24 | 180.0° | 180.0° |
| H21 | C38 | C39 | H22 | 60.0° | 60.0° |
| H21 | C38 | C39 | H23 | 180.0° | 180.0° |
| H21 | C38 | C39 | H24 | 60.0° | 60.0° |
| H22 | C39 | H23 | H24 | 120.0° | 120.0° |
| H25 | C19 | H26 | H27 | 120.0° | 120.0° |
| H29 | C41 | C42 | H31 | 59.4° | 59.4° |
| H29 | C41 | C42 | H32 | 60.6° | 60.6° |
| H29 | C41 | C42 | H33 | 179.4° | 179.4° |
| H30 | C41 | C42 | H31 | 59.5° | 59.5° |
| H30 | C41 | C42 | H32 | 179.5° | 179.5° |
| H30 | C41 | C42 | H33 | 60.5° | 60.5° |
| H31 | C42 | H32 | H33 | 120.0° | 120.0° |
| H34 | C01 | H35 | H36 | 120.0° | 120.0° |
