CM8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.50Å | 1.50Å | |
| C01 | N03 | sing | 1.43Å | 1.43Å | |
| C06 | C07 | sing | 1.57Å | 1.57Å | |
| C06 | C31 | sing | 1.58Å | 1.58Å | |
| C07 | S08 | sing | 1.86Å | 1.86Å | |
| S08 | O09 | doub | 1.45Å | 1.45Å | |
| S08 | O10 | doub | 1.45Å | 1.45Å | |
| S08 | N11 | sing | 1.56Å | 1.56Å | |
| N11 | C12 | sing | 1.49Å | 1.49Å | |
| N11 | C13 | sing | 1.44Å | 1.44Å | |
| C12 | C31 | sing | 1.57Å | 1.57Å | |
| C13 | C14 | sing | 1.45Å | 1.45Å | Aromatic |
| C13 | C18 | doub | 1.41Å | 1.41Å | Aromatic |
| C14 | C15 | doub | 1.42Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.43Å | 1.43Å | Aromatic |
| C15 | C19 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.45Å | 1.45Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.47Å | Aromatic |
| C17 | N03 | sing | 1.45Å | 1.45Å | |
| C19 | O20 | doub | 1.20Å | 1.20Å | |
| C19 | N21 | sing | 1.45Å | 1.45Å | |
| N21 | C22 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.54Å | 1.54Å | |
| C22 | C30 | sing | 1.56Å | 1.56Å | |
| C23 | C24 | sing | 1.55Å | 1.55Å | |
| C24 | C25 | doub | 1.46Å | 1.46Å | Aromatic |
| C24 | C29 | sing | 1.46Å | 1.46Å | Aromatic |
| C25 | C26 | sing | 1.44Å | 1.44Å | Aromatic |
| C26 | C27 | doub | 1.45Å | 1.45Å | Aromatic |
| C27 | C28 | sing | 1.44Å | 1.44Å | Aromatic |
| C28 | C29 | doub | 1.45Å | 1.45Å | Aromatic |
| C30 | O31 | sing | 1.45Å | 1.45Å | |
| C30 | C32 | sing | 1.55Å | 1.55Å | |
| C32 | N33 | sing | 1.49Å | 1.49Å | |
| N33 | C34 | sing | 1.48Å | 1.48Å | |
| C34 | C35 | sing | 1.55Å | 1.55Å | |
| C35 | C36 | sing | 1.45Å | 1.45Å | Aromatic |
| C35 | C40 | doub | 1.44Å | 1.44Å | Aromatic |
| C36 | C37 | doub | 1.45Å | 1.45Å | Aromatic |
| C37 | C38 | sing | 1.44Å | 1.44Å | Aromatic |
| C38 | C39 | doub | 1.45Å | 1.45Å | Aromatic |
| C39 | C40 | sing | 1.45Å | 1.45Å | Aromatic |
| C39 | C41 | sing | 1.51Å | 1.51Å | |
| C41 | F42 | sing | 1.36Å | 1.36Å | |
| C41 | F43 | sing | 1.35Å | 1.35Å | |
| C41 | F44 | sing | 1.34Å | 1.34Å | |
| C01 | H011 | sing | 1.10Å | 1.10Å | |
| C01 | H012 | sing | 1.10Å | 1.10Å | |
| C02 | H021 | sing | 1.10Å | 1.10Å | |
| C02 | H022 | sing | 1.10Å | 1.10Å | |
| C02 | H023 | sing | 1.10Å | 1.10Å | |
| N03 | H03 | sing | 1.00Å | 1.00Å | |
| C06 | H061 | sing | 1.10Å | 1.10Å | |
| C06 | H062 | sing | 1.10Å | 1.10Å | |
| C07 | H071 | sing | 1.10Å | 1.10Å | |
| C07 | H072 | sing | 1.10Å | 1.10Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.10Å | 1.10Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N21 | H21 | sing | 1.00Å | 1.00Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| C23 | H231 | sing | 1.10Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| C30 | H30 | sing | 1.10Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| O31 | H31 | sing | 0.95Å | 0.95Å | |
| C32 | H321 | sing | 1.10Å | 1.10Å | |
| C32 | H322 | sing | 1.10Å | 1.10Å | |
| N33 | H33 | sing | 1.00Å | 1.00Å | |
| C34 | H341 | sing | 1.10Å | 1.10Å | |
| C34 | H342 | sing | 1.10Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | N03 | 113.2° | 113.2° |
| C02 | C01 | H011 | 108.2° | 108.2° |
| C02 | C01 | H012 | 107.4° | 107.4° |
| C01 | C02 | H021 | 109.5° | 109.5° |
| C01 | C02 | H022 | 109.5° | 109.5° |
| C01 | C02 | H023 | 109.5° | 109.5° |
| C01 | N03 | C17 | 121.2° | 121.2° |
| N03 | C01 | H011 | 108.2° | 108.2° |
| N03 | C01 | H012 | 107.4° | 107.4° |
| C01 | N03 | H03 | 105.7° | 105.7° |
| C07 | C06 | C31 | 111.2° | 111.2° |
| C06 | C07 | S08 | 106.6° | 106.6° |
| C07 | C06 | H061 | 108.9° | 108.9° |
| C07 | C06 | H062 | 108.5° | 108.5° |
| C06 | C07 | H071 | 110.4° | 110.4° |
| C06 | C07 | H072 | 111.1° | 111.1° |
| C06 | C31 | C12 | 114.4° | 114.4° |
| C31 | C06 | H061 | 108.9° | 108.9° |
| C31 | C06 | H062 | 108.5° | 108.5° |
| C06 | C31 | H311 | 107.8° | 107.8° |
| C06 | C31 | H312 | 106.7° | 106.7° |
| C07 | S08 | O09 | 107.3° | 107.3° |
| C07 | S08 | O10 | 108.8° | 108.8° |
| C07 | S08 | N11 | 109.4° | 109.4° |
| S08 | C07 | H071 | 110.4° | 110.4° |
| S08 | C07 | H072 | 111.0° | 111.0° |
| O09 | S08 | O10 | 111.9° | 111.9° |
| O09 | S08 | N11 | 108.1° | 108.1° |
| O10 | S08 | N11 | 111.3° | 111.3° |
| S08 | N11 | C12 | 115.6° | 115.6° |
| S08 | N11 | C13 | 118.6° | 118.6° |
| C12 | N11 | C13 | 116.6° | 116.6° |
| N11 | C12 | C31 | 109.9° | 109.9° |
| N11 | C12 | H121 | 109.4° | 109.4° |
| N11 | C12 | H122 | 109.2° | 109.2° |
| N11 | C13 | C14 | 114.1° | 114.1° |
| N11 | C13 | C18 | 124.5° | 124.5° |
| C12 | C31 | H311 | 107.8° | 107.8° |
| C12 | C31 | H312 | 106.7° | 106.7° |
| C31 | C12 | H121 | 109.3° | 109.3° |
| C31 | C12 | H122 | 109.3° | 109.3° |
| C14 | C13 | C18 | 121.3° | 121.3° |
| C13 | C14 | C15 | 119.4° | 119.4° |
| C13 | C14 | H14 | 120.3° | 120.3° |
| C13 | C18 | C17 | 118.6° | 118.6° |
| C13 | C18 | H18 | 120.7° | 120.7° |
| C14 | C15 | C16 | 121.5° | 121.5° |
| C14 | C15 | C19 | 118.7° | 118.7° |
| C15 | C14 | H14 | 120.3° | 120.3° |
| C16 | C15 | C19 | 119.8° | 119.8° |
| C15 | C16 | C17 | 118.6° | 118.6° |
| C15 | C16 | H16 | 120.7° | 120.7° |
| C15 | C19 | O20 | 121.9° | 121.9° |
| C15 | C19 | N21 | 115.1° | 115.1° |
| C16 | C17 | C18 | 120.5° | 120.5° |
| C16 | C17 | N03 | 121.3° | 121.3° |
| C17 | C16 | H16 | 120.7° | 120.7° |
| C18 | C17 | N03 | 118.2° | 118.2° |
| C17 | C18 | H18 | 120.7° | 120.7° |
| C17 | N03 | H03 | 105.7° | 105.7° |
| O20 | C19 | N21 | 122.2° | 122.2° |
| C19 | N21 | C22 | 120.4° | 120.4° |
| C19 | N21 | H21 | 119.8° | 119.8° |
| N21 | C22 | C23 | 106.8° | 106.8° |
| N21 | C22 | C30 | 108.2° | 108.2° |
| C22 | N21 | H21 | 119.8° | 119.8° |
| N21 | C22 | H22 | 112.3° | 112.3° |
| C23 | C22 | C30 | 110.3° | 110.3° |
| C22 | C23 | C24 | 112.2° | 112.2° |
| C23 | C22 | H22 | 110.3° | 110.3° |
| C22 | C23 | H231 | 108.6° | 108.6° |
| C22 | C23 | H232 | 108.0° | 108.0° |
| C22 | C30 | O31 | 108.6° | 108.6° |
| C22 | C30 | C32 | 108.4° | 108.4° |
| C30 | C22 | H22 | 108.9° | 108.9° |
| C22 | C30 | H30 | 109.4° | 109.4° |
| C23 | C24 | C25 | 121.0° | 121.0° |
| C23 | C24 | C29 | 117.6° | 117.6° |
| C24 | C23 | H231 | 108.6° | 108.6° |
| C24 | C23 | H232 | 108.0° | 108.0° |
| C25 | C24 | C29 | 121.4° | 121.4° |
| C24 | C25 | C26 | 120.5° | 120.5° |
| C24 | C25 | H25 | 119.8° | 119.8° |
| C24 | C29 | C28 | 117.4° | 117.4° |
| C24 | C29 | H29 | 121.3° | 121.3° |
| C25 | C26 | C27 | 117.9° | 117.9° |
| C26 | C25 | H25 | 119.7° | 119.7° |
| C25 | C26 | H26 | 121.0° | 121.0° |
| C26 | C27 | C28 | 121.9° | 121.9° |
| C27 | C26 | H26 | 121.1° | 121.1° |
| C26 | C27 | H27 | 119.0° | 119.0° |
| C27 | C28 | C29 | 120.8° | 120.8° |
| C28 | C27 | H27 | 119.0° | 119.0° |
| C27 | C28 | H28 | 119.6° | 119.6° |
| C28 | C29 | H29 | 121.3° | 121.3° |
| C29 | C28 | H28 | 119.6° | 119.6° |
| O31 | C30 | C32 | 105.1° | 105.1° |
| O31 | C30 | H30 | 112.5° | 112.5° |
| C30 | O31 | H31 | 109.5° | 109.5° |
| C30 | C32 | N33 | 107.7° | 107.7° |
| C32 | C30 | H30 | 112.6° | 112.6° |
| C30 | C32 | H321 | 110.1° | 110.1° |
| C30 | C32 | H322 | 110.4° | 110.4° |
| C32 | N33 | C34 | 110.7° | 110.7° |
| N33 | C32 | H321 | 110.0° | 110.0° |
| N33 | C32 | H322 | 110.4° | 110.4° |
| C32 | N33 | H33 | 109.1° | 109.1° |
| N33 | C34 | C35 | 111.2° | 111.2° |
| C34 | N33 | H33 | 109.0° | 109.0° |
| N33 | C34 | H341 | 108.9° | 108.9° |
| N33 | C34 | H342 | 108.5° | 108.5° |
| C34 | C35 | C36 | 118.9° | 118.9° |
| C34 | C35 | C40 | 121.6° | 121.6° |
| C35 | C34 | H341 | 108.9° | 108.9° |
| C35 | C34 | H342 | 108.5° | 108.5° |
| C36 | C35 | C40 | 119.6° | 119.6° |
| C35 | C36 | C37 | 120.7° | 120.7° |
| C35 | C36 | H36 | 119.6° | 119.6° |
| C35 | C40 | C39 | 119.3° | 119.3° |
| C35 | C40 | H40 | 120.4° | 120.4° |
| C36 | C37 | C38 | 120.1° | 120.1° |
| C37 | C36 | H36 | 119.6° | 119.6° |
| C36 | C37 | H37 | 120.0° | 120.0° |
| C37 | C38 | C39 | 118.9° | 118.9° |
| C38 | C37 | H37 | 120.0° | 120.0° |
| C37 | C38 | H38 | 120.6° | 120.6° |
| C38 | C39 | C40 | 121.5° | 121.5° |
| C38 | C39 | C41 | 119.0° | 119.0° |
| C39 | C38 | H38 | 120.6° | 120.6° |
| C40 | C39 | C41 | 119.5° | 119.5° |
| C39 | C40 | H40 | 120.4° | 120.4° |
| C39 | C41 | F42 | 111.1° | 111.1° |
| C39 | C41 | F43 | 110.2° | 110.2° |
| C39 | C41 | F44 | 107.8° | 107.8° |
| F42 | C41 | F43 | 110.1° | 110.1° |
| F42 | C41 | F44 | 107.9° | 107.9° |
| F43 | C41 | F44 | 109.6° | 109.6° |
| H011 | C01 | H012 | 112.5° | 112.5° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H021 | C02 | H023 | 109.5° | 109.4° |
| H022 | C02 | H023 | 109.5° | 109.5° |
| H061 | C06 | H062 | 110.9° | 110.9° |
| H071 | C07 | H072 | 107.3° | 107.3° |
| H311 | C31 | H312 | 113.4° | 113.4° |
| H121 | C12 | H122 | 109.8° | 109.8° |
| H231 | C23 | H232 | 111.6° | 111.6° |
| H321 | C32 | H322 | 108.1° | 108.1° |
| H341 | C34 | H342 | 110.8° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | N03 | H011 | 120.0° | 120.0° |
| C02 | C01 | N03 | H012 | 118.3° | 118.3° |
| C02 | C01 | N03 | C17 | 93.1° | 93.1° |
| C02 | C01 | H011 | H012 | 118.4° | 118.4° |
| C01 | C02 | H021 | H022 | 120.0° | 120.0° |
| C01 | C02 | H021 | H023 | 120.0° | 120.0° |
| C01 | C02 | H022 | H023 | 120.0° | 120.0° |
| C02 | C01 | N03 | H03 | 26.9° | 26.9° |
| C01 | N03 | C17 | C16 | 0.4° | 0.4° |
| C01 | N03 | C17 | C18 | 179.1° | 179.1° |
| C01 | N03 | C17 | H03 | 120.0° | 120.0° |
| N03 | C01 | H011 | H012 | 118.5° | 118.5° |
| N03 | C01 | C02 | H021 | 11.2° | 11.3° |
| N03 | C01 | C02 | H022 | 108.7° | 108.7° |
| N03 | C01 | C02 | H023 | 131.3° | 131.3° |
| C07 | C06 | C31 | H061 | 120.0° | 120.0° |
| C07 | C06 | C31 | H062 | 119.3° | 119.3° |
| C06 | C07 | S08 | H071 | 120.0° | 120.0° |
| C06 | C07 | S08 | H072 | 121.1° | 121.1° |
| C06 | C07 | S08 | O09 | 68.4° | 68.4° |
| C06 | C07 | S08 | O10 | 170.4° | 170.4° |
| C06 | C07 | S08 | N11 | 48.6° | 48.6° |
| C07 | C06 | C31 | C12 | 61.2° | 61.2° |
| C07 | C06 | H061 | H062 | 119.3° | 119.3° |
| C06 | C07 | H071 | H072 | 121.2° | 121.2° |
| C07 | C06 | C31 | H311 | 178.8° | 178.8° |
| C07 | C06 | C31 | H312 | 56.6° | 56.6° |
| C31 | C06 | C07 | S08 | 51.7° | 51.7° |
| C06 | C31 | C12 | N11 | 60.2° | 60.2° |
| C06 | C31 | C12 | H311 | 120.0° | 120.0° |
| C06 | C31 | C12 | H312 | 117.8° | 117.8° |
| C31 | C06 | H061 | H062 | 119.3° | 119.3° |
| C31 | C06 | C07 | H071 | 68.3° | 68.3° |
| C31 | C06 | C07 | H072 | 172.8° | 172.8° |
| C06 | C31 | H311 | H312 | 118.0° | 118.0° |
| C06 | C31 | C12 | H121 | 179.7° | 179.7° |
| C06 | C31 | C12 | H122 | 59.6° | 59.6° |
| C07 | S08 | O09 | O10 | 119.2° | 119.2° |
| C07 | S08 | O09 | N11 | 117.9° | 117.9° |
| C07 | S08 | O10 | N11 | 120.6° | 120.6° |
| C07 | S08 | N11 | C12 | 53.0° | 53.0° |
| C07 | S08 | N11 | C13 | 92.8° | 92.8° |
| S08 | C07 | C06 | H061 | 68.2° | 68.2° |
| S08 | C07 | C06 | H062 | 171.0° | 171.0° |
| S08 | C07 | H071 | H072 | 121.2° | 121.2° |
| O09 | S08 | O10 | N11 | 121.0° | 121.0° |
| O09 | S08 | N11 | C12 | 63.5° | 63.5° |
| O09 | S08 | N11 | C13 | 150.7° | 150.7° |
| O09 | S08 | C07 | H071 | 171.6° | 171.6° |
| O09 | S08 | C07 | H072 | 52.7° | 52.7° |
| O10 | S08 | N11 | C12 | 173.2° | 173.2° |
| O10 | S08 | N11 | C13 | 27.4° | 27.4° |
| O10 | S08 | C07 | H071 | 50.4° | 50.4° |
| O10 | S08 | C07 | H072 | 68.5° | 68.5° |
| S08 | N11 | C12 | C13 | 146.5° | 146.5° |
| S08 | N11 | C12 | C31 | 58.1° | 58.1° |
| S08 | N11 | C13 | C14 | 145.1° | 145.1° |
| S08 | N11 | C13 | C18 | 39.1° | 39.1° |
| N11 | S08 | C07 | H071 | 71.4° | 71.4° |
| N11 | S08 | C07 | H072 | 169.7° | 169.7° |
| S08 | N11 | C12 | H121 | 178.1° | 178.1° |
| S08 | N11 | C12 | H122 | 61.7° | 61.7° |
| N11 | C12 | C31 | H121 | 120.0° | 120.0° |
| N11 | C12 | C31 | H122 | 119.8° | 119.8° |
| C12 | N11 | C13 | C14 | 69.4° | 69.4° |
| C12 | N11 | C13 | C18 | 106.4° | 106.4° |
| N11 | C12 | C31 | H311 | 179.8° | 179.8° |
| N11 | C12 | C31 | H312 | 57.5° | 57.5° |
| N11 | C12 | H121 | H122 | 119.8° | 119.8° |
| C13 | N11 | C12 | C31 | 88.3° | 88.3° |
| N11 | C13 | C14 | C18 | 175.9° | 175.9° |
| N11 | C13 | C14 | C15 | 178.7° | 178.7° |
| N11 | C13 | C18 | C17 | 178.2° | 178.2° |
| C13 | N11 | C12 | H121 | 31.7° | 31.7° |
| C13 | N11 | C12 | H122 | 151.8° | 151.8° |
| N11 | C13 | C14 | H14 | 1.3° | 1.4° |
| N11 | C13 | C18 | H18 | 1.8° | 1.8° |
| C12 | C31 | C06 | H061 | 58.8° | 58.8° |
| C12 | C31 | C06 | H062 | 179.5° | 179.5° |
| C12 | C31 | H311 | H312 | 118.0° | 118.0° |
| C31 | C12 | H121 | H122 | 119.9° | 119.9° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.7° | 0.7° |
| C13 | C14 | C15 | C19 | 177.5° | 177.5° |
| C14 | C13 | C18 | C17 | 2.7° | 2.7° |
| C14 | C13 | C18 | H18 | 177.3° | 177.3° |
| C18 | C13 | C14 | C15 | 2.7° | 2.7° |
| C13 | C18 | C17 | C16 | 0.8° | 0.8° |
| C13 | C18 | C17 | H18 | 180.0° | 180.0° |
| C13 | C18 | C17 | N03 | 179.8° | 179.8° |
| C18 | C13 | C14 | H14 | 177.3° | 177.3° |
| C14 | C15 | C16 | C19 | 178.2° | 178.2° |
| C14 | C15 | C16 | C17 | 1.2° | 1.2° |
| C14 | C15 | C19 | O20 | 49.7° | 49.7° |
| C14 | C15 | C19 | N21 | 140.5° | 140.5° |
| C14 | C15 | C16 | H16 | 178.8° | 178.8° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.2° | 1.2° |
| C15 | C16 | C17 | N03 | 178.3° | 178.3° |
| C16 | C15 | C19 | O20 | 132.0° | 132.0° |
| C16 | C15 | C19 | N21 | 37.7° | 37.7° |
| C16 | C15 | C14 | H14 | 179.3° | 179.4° |
| C19 | C15 | C16 | C17 | 179.4° | 179.4° |
| C15 | C19 | O20 | N21 | 169.0° | 169.0° |
| C15 | C19 | N21 | C22 | 167.6° | 167.6° |
| C19 | C15 | C14 | H14 | 2.5° | 2.5° |
| C19 | C15 | C16 | H16 | 0.6° | 0.6° |
| C15 | C19 | N21 | H21 | 12.5° | 12.5° |
| C16 | C17 | C18 | N03 | 179.5° | 179.5° |
| C16 | C17 | N03 | H03 | 119.6° | 119.6° |
| C16 | C17 | C18 | H18 | 179.2° | 179.3° |
| C18 | C17 | N03 | H03 | 60.9° | 61.0° |
| C18 | C17 | C16 | H16 | 178.8° | 178.8° |
| C17 | N03 | C01 | H011 | 146.9° | 146.9° |
| C17 | N03 | C01 | H012 | 25.2° | 25.2° |
| N03 | C17 | C18 | H18 | 0.2° | 0.2° |
| N03 | C17 | C16 | H16 | 1.7° | 1.7° |
| O20 | C19 | N21 | C22 | 2.2° | 2.2° |
| O20 | C19 | N21 | H21 | 177.8° | 177.8° |
| C19 | N21 | C22 | H21 | 180.0° | 180.0° |
| C19 | N21 | C22 | C23 | 135.4° | 135.4° |
| C19 | N21 | C22 | C30 | 106.0° | 106.0° |
| C19 | N21 | C22 | H22 | 14.3° | 14.3° |
| N21 | C22 | C23 | C30 | 117.4° | 117.4° |
| N21 | C22 | C23 | H22 | 122.3° | 122.3° |
| N21 | C22 | C30 | H22 | 122.4° | 122.4° |
| N21 | C22 | C23 | C24 | 46.8° | 46.8° |
| N21 | C22 | C30 | O31 | 172.8° | 172.8° |
| N21 | C22 | C30 | C32 | 73.5° | 73.5° |
| N21 | C22 | C23 | H231 | 73.2° | 73.2° |
| N21 | C22 | C23 | H232 | 165.6° | 165.6° |
| N21 | C22 | C30 | H30 | 49.7° | 49.7° |
| C23 | C22 | C30 | H22 | 121.2° | 121.2° |
| C22 | C23 | C24 | H231 | 120.0° | 120.0° |
| C22 | C23 | C24 | H232 | 118.8° | 118.8° |
| C22 | C23 | C24 | C25 | 48.3° | 48.3° |
| C22 | C23 | C24 | C29 | 132.4° | 132.4° |
| C23 | C22 | C30 | O31 | 56.3° | 56.3° |
| C23 | C22 | C30 | C32 | 170.0° | 170.0° |
| C23 | C22 | N21 | H21 | 44.7° | 44.7° |
| C22 | C23 | H231 | H232 | 118.9° | 118.9° |
| C23 | C22 | C30 | H30 | 66.8° | 66.8° |
| C30 | C22 | C23 | C24 | 164.1° | 164.1° |
| C22 | C30 | O31 | C32 | 115.9° | 115.9° |
| C22 | C30 | O31 | H30 | 121.2° | 121.2° |
| C22 | C30 | C32 | H30 | 121.2° | 121.2° |
| C22 | C30 | C32 | N33 | 173.6° | 173.6° |
| C30 | C22 | N21 | H21 | 74.0° | 74.0° |
| C30 | C22 | C23 | H231 | 44.1° | 44.1° |
| C30 | C22 | C23 | H232 | 77.0° | 77.0° |
| C22 | C30 | O31 | H31 | 143.8° | 143.8° |
| C22 | C30 | C32 | H321 | 66.4° | 66.4° |
| C22 | C30 | C32 | H322 | 52.9° | 52.9° |
| C23 | C24 | C25 | C29 | 179.3° | 179.3° |
| C23 | C24 | C25 | C26 | 179.4° | 179.4° |
| C23 | C24 | C29 | C28 | 179.7° | 179.7° |
| C24 | C23 | C22 | H22 | 75.5° | 75.5° |
| C24 | C23 | H231 | H232 | 118.9° | 118.9° |
| C23 | C24 | C25 | H25 | 0.6° | 0.6° |
| C23 | C24 | C29 | H29 | 0.3° | 0.3° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 1.5° | 1.5° |
| C25 | C24 | C29 | C28 | 0.9° | 0.9° |
| C25 | C24 | C23 | H231 | 168.3° | 168.3° |
| C25 | C24 | C23 | H232 | 70.6° | 70.6° |
| C25 | C24 | C29 | H29 | 179.1° | 179.1° |
| C24 | C25 | C26 | H26 | 178.5° | 178.5° |
| C29 | C24 | C25 | C26 | 1.3° | 1.3° |
| C24 | C29 | C28 | C27 | 0.9° | 0.9° |
| C24 | C29 | C28 | H29 | 180.0° | 180.0° |
| C29 | C24 | C23 | H231 | 12.4° | 12.4° |
| C29 | C24 | C23 | H232 | 108.8° | 108.8° |
| C29 | C24 | C25 | H25 | 178.8° | 178.8° |
| C24 | C29 | C28 | H28 | 179.1° | 179.1° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 1.4° | 1.4° |
| C25 | C26 | C27 | H27 | 178.6° | 178.6° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 1.2° | 1.2° |
| C27 | C26 | C25 | H25 | 178.5° | 178.5° |
| C26 | C27 | C28 | H28 | 178.8° | 178.8° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 179.1° | 179.1° |
| C28 | C27 | C26 | H26 | 178.5° | 178.5° |
| C29 | C28 | C27 | H27 | 178.8° | 178.8° |
| O31 | C30 | C32 | H30 | 122.8° | 122.8° |
| O31 | C30 | C32 | N33 | 57.6° | 57.6° |
| O31 | C30 | C22 | H22 | 64.9° | 64.9° |
| O31 | C30 | C32 | H321 | 177.6° | 177.6° |
| O31 | C30 | C32 | H322 | 63.1° | 63.1° |
| C30 | C32 | N33 | H321 | 120.0° | 120.0° |
| C30 | C32 | N33 | H322 | 120.7° | 120.7° |
| C30 | C32 | N33 | C34 | 164.7° | 164.7° |
| C32 | C30 | C22 | H22 | 48.8° | 48.8° |
| C32 | C30 | O31 | H31 | 27.9° | 27.9° |
| C30 | C32 | H321 | H322 | 120.7° | 120.7° |
| C30 | C32 | N33 | H33 | 44.7° | 44.7° |
| C32 | N33 | C34 | H33 | 120.0° | 120.0° |
| C32 | N33 | C34 | C35 | 65.9° | 65.9° |
| N33 | C32 | C30 | H30 | 65.2° | 65.2° |
| N33 | C32 | H321 | H322 | 120.7° | 120.7° |
| C32 | N33 | C34 | H341 | 174.1° | 174.1° |
| C32 | N33 | C34 | H342 | 53.4° | 53.4° |
| N33 | C34 | C35 | H341 | 120.0° | 120.0° |
| N33 | C34 | C35 | H342 | 119.3° | 119.3° |
| N33 | C34 | C35 | C36 | 125.8° | 125.8° |
| N33 | C34 | C35 | C40 | 54.0° | 54.0° |
| C34 | N33 | C32 | H321 | 75.3° | 75.3° |
| C34 | N33 | C32 | H322 | 44.0° | 44.0° |
| N33 | C34 | H341 | H342 | 119.3° | 119.3° |
| C34 | C35 | C36 | C40 | 179.8° | 179.8° |
| C34 | C35 | C36 | C37 | 179.8° | 179.8° |
| C34 | C35 | C40 | C39 | 179.7° | 179.7° |
| C35 | C34 | N33 | H33 | 54.1° | 54.1° |
| C35 | C34 | H341 | H342 | 119.3° | 119.3° |
| C34 | C35 | C36 | H36 | 0.2° | 0.2° |
| C34 | C35 | C40 | H40 | 0.3° | 0.3° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.4° | 0.4° |
| C36 | C35 | C40 | C39 | 0.1° | 0.1° |
| C36 | C35 | C34 | H341 | 114.2° | 114.2° |
| C36 | C35 | C34 | H342 | 6.5° | 6.5° |
| C36 | C35 | C40 | H40 | 179.9° | 179.9° |
| C35 | C36 | C37 | H37 | 179.6° | 179.6° |
| C40 | C35 | C36 | C37 | 0.5° | 0.5° |
| C35 | C40 | C39 | C38 | 0.7° | 0.7° |
| C35 | C40 | C39 | H40 | 180.0° | 180.0° |
| C35 | C40 | C39 | C41 | 179.6° | 179.6° |
| C40 | C35 | C34 | H341 | 66.0° | 66.0° |
| C40 | C35 | C34 | H342 | 173.3° | 173.3° |
| C40 | C35 | C36 | H36 | 179.6° | 179.6° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.3° | 0.3° |
| C36 | C37 | C38 | H38 | 179.7° | 179.8° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.8° | 0.8° |
| C37 | C38 | C39 | C41 | 179.7° | 179.7° |
| C38 | C37 | C36 | H36 | 179.7° | 179.7° |
| C38 | C39 | C40 | C41 | 178.9° | 178.9° |
| C38 | C39 | C41 | F42 | 3.3° | 3.3° |
| C38 | C39 | C41 | F43 | 119.0° | 119.0° |
| C38 | C39 | C41 | F44 | 121.4° | 121.4° |
| C38 | C39 | C40 | H40 | 179.3° | 179.3° |
| C39 | C38 | C37 | H37 | 179.7° | 179.7° |
| C40 | C39 | C41 | F42 | 175.6° | 175.6° |
| C40 | C39 | C41 | F43 | 62.1° | 62.1° |
| C40 | C39 | C41 | F44 | 57.5° | 57.5° |
| C40 | C39 | C38 | H38 | 179.2° | 179.2° |
| C39 | C41 | F42 | F43 | 122.3° | 122.3° |
| C39 | C41 | F42 | F44 | 118.0° | 118.0° |
| C39 | C41 | F43 | F44 | 118.5° | 118.5° |
| C41 | C39 | C40 | H40 | 0.4° | 0.4° |
| C41 | C39 | C38 | H38 | 0.3° | 0.3° |
| F42 | C41 | F43 | F44 | 118.6° | 118.6° |
| H011 | C01 | C02 | H021 | 108.8° | 108.7° |
| H011 | C01 | C02 | H022 | 131.2° | 131.2° |
| H011 | C01 | C02 | H023 | 11.3° | 11.2° |
| H011 | C01 | N03 | H03 | 93.1° | 93.2° |
| H012 | C01 | C02 | H021 | 129.6° | 129.6° |
| H012 | C01 | C02 | H022 | 9.6° | 9.6° |
| H012 | C01 | C02 | H023 | 110.4° | 110.4° |
| H012 | C01 | N03 | H03 | 145.2° | 145.2° |
| H021 | C02 | H022 | H023 | 120.0° | 120.0° |
| H061 | C06 | C07 | H071 | 171.7° | 171.7° |
| H061 | C06 | C07 | H072 | 52.8° | 52.8° |
| H061 | C06 | C31 | H311 | 61.2° | 61.2° |
| H061 | C06 | C31 | H312 | 176.6° | 176.6° |
| H062 | C06 | C07 | H071 | 51.0° | 51.0° |
| H062 | C06 | C07 | H072 | 67.9° | 67.9° |
| H062 | C06 | C31 | H311 | 59.5° | 59.5° |
| H062 | C06 | C31 | H312 | 62.7° | 62.7° |
| H311 | C31 | C12 | H121 | 59.8° | 59.8° |
| H311 | C31 | C12 | H122 | 60.4° | 60.4° |
| H312 | C31 | C12 | H121 | 62.5° | 62.5° |
| H312 | C31 | C12 | H122 | 177.4° | 177.4° |
| H21 | N21 | C22 | H22 | 165.7° | 165.7° |
| H22 | C22 | C23 | H231 | 164.5° | 164.5° |
| H22 | C22 | C23 | H232 | 43.3° | 43.3° |
| H22 | C22 | C30 | H30 | 172.0° | 172.0° |
| H30 | C30 | O31 | H31 | 95.0° | 95.0° |
| H30 | C30 | C32 | H321 | 54.8° | 54.8° |
| H30 | C30 | C32 | H322 | 174.2° | 174.2° |
| H25 | C25 | C26 | H26 | 1.5° | 1.5° |
| H29 | C29 | C28 | H28 | 0.8° | 0.8° |
| H26 | C26 | C27 | H27 | 1.4° | 1.4° |
| H27 | C27 | C28 | H28 | 1.1° | 1.1° |
| H321 | C32 | N33 | H33 | 164.7° | 164.7° |
| H322 | C32 | N33 | H33 | 76.0° | 76.0° |
| H33 | N33 | C34 | H341 | 65.8° | 65.8° |
| H33 | N33 | C34 | H342 | 173.4° | 173.4° |
| H36 | C36 | C37 | H37 | 0.3° | 0.3° |
| H37 | C37 | C38 | H38 | 0.3° | 0.2° |
