CM7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.54Å | 1.54Å | |
| C02 | C03 | sing | 1.55Å | 1.55Å | |
| C03 | C04 | doub | 1.45Å | 1.45Å | Aromatic |
| C03 | C17 | sing | 1.44Å | 1.44Å | Aromatic |
| C04 | N05 | sing | 1.40Å | 1.40Å | Aromatic |
| N05 | C06 | sing | 1.51Å | 1.51Å | |
| N05 | C18 | sing | 1.46Å | 1.46Å | Aromatic |
| C06 | C07 | sing | 1.54Å | 1.54Å | |
| C07 | S08 | sing | 1.85Å | 1.85Å | |
| S08 | O09 | doub | 1.49Å | 1.49Å | |
| S08 | O10 | doub | 1.44Å | 1.44Å | |
| S08 | N11 | sing | 1.56Å | 1.56Å | |
| N11 | C12 | sing | 1.48Å | 1.48Å | |
| N11 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.43Å | 1.43Å | Aromatic |
| C13 | C18 | doub | 1.48Å | 1.48Å | Aromatic |
| C14 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.47Å | Aromatic |
| C15 | C19 | sing | 1.50Å | 1.50Å | |
| C16 | C17 | doub | 1.47Å | 1.47Å | Aromatic |
| C17 | C18 | sing | 1.42Å | 1.42Å | Aromatic |
| C19 | O20 | doub | 1.21Å | 1.21Å | |
| C19 | N21 | sing | 1.43Å | 1.43Å | |
| N21 | C22 | sing | 1.45Å | 1.45Å | |
| C22 | C23 | sing | 1.56Å | 1.56Å | |
| C22 | C30 | sing | 1.54Å | 1.54Å | |
| C23 | C24 | sing | 1.55Å | 1.55Å | |
| C24 | C25 | sing | 1.46Å | 1.46Å | Aromatic |
| C24 | C29 | doub | 1.46Å | 1.46Å | Aromatic |
| C25 | C26 | doub | 1.44Å | 1.44Å | Aromatic |
| C26 | C27 | sing | 1.47Å | 1.47Å | Aromatic |
| C27 | C28 | doub | 1.45Å | 1.45Å | Aromatic |
| C28 | C29 | sing | 1.45Å | 1.45Å | Aromatic |
| C30 | O31 | sing | 1.44Å | 1.44Å | |
| C30 | C32 | sing | 1.56Å | 1.56Å | |
| C32 | N33 | sing | 1.50Å | 1.50Å | |
| N33 | C34 | sing | 1.49Å | 1.49Å | |
| C34 | C35 | sing | 1.55Å | 1.55Å | |
| C35 | C36 | sing | 1.46Å | 1.46Å | Aromatic |
| C35 | C40 | doub | 1.45Å | 1.45Å | Aromatic |
| C36 | C37 | doub | 1.45Å | 1.45Å | Aromatic |
| C37 | C38 | sing | 1.46Å | 1.46Å | Aromatic |
| C38 | C39 | doub | 1.45Å | 1.45Å | Aromatic |
| C39 | C40 | sing | 1.45Å | 1.45Å | Aromatic |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | F42 | sing | 1.35Å | 1.35Å | |
| C41 | F43 | sing | 1.35Å | 1.35Å | |
| C41 | F44 | sing | 1.35Å | 1.35Å | |
| C01 | H011 | sing | 1.10Å | 1.10Å | |
| C01 | H012 | sing | 1.10Å | 1.10Å | |
| C01 | H013 | sing | 1.10Å | 1.10Å | |
| C02 | H021 | sing | 1.10Å | 1.10Å | |
| C02 | H022 | sing | 1.10Å | 1.10Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C12 | H123 | sing | 1.10Å | 1.10Å | |
| C14 | H14 | 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) |
| C01 | C02 | C03 | 110.5° | 110.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 109.1° | 109.1° |
| C01 | C02 | H022 | 108.9° | 108.9° |
| C02 | C03 | C04 | 125.9° | 125.9° |
| C02 | C03 | C17 | 125.0° | 125.0° |
| C03 | C02 | H021 | 109.2° | 109.2° |
| C03 | C02 | H022 | 108.9° | 108.9° |
| C04 | C03 | C17 | 109.0° | 109.0° |
| C03 | C04 | N05 | 105.2° | 105.2° |
| C03 | C04 | H04 | 127.4° | 127.4° |
| C03 | C17 | C16 | 131.8° | 131.8° |
| C03 | C17 | C18 | 108.5° | 108.5° |
| C04 | N05 | C06 | 114.2° | 114.2° |
| C04 | N05 | C18 | 111.8° | 111.8° |
| N05 | C04 | H04 | 127.4° | 127.4° |
| C06 | N05 | C18 | 133.6° | 133.6° |
| N05 | C06 | C07 | 124.4° | 124.4° |
| N05 | C06 | H061 | 104.8° | 104.8° |
| N05 | C06 | H062 | 101.3° | 101.3° |
| N05 | C18 | C13 | 133.7° | 133.7° |
| N05 | C18 | C17 | 105.3° | 105.3° |
| C06 | C07 | S08 | 112.0° | 112.0° |
| C07 | C06 | H061 | 104.7° | 104.7° |
| C07 | C06 | H062 | 101.2° | 101.2° |
| C06 | C07 | H071 | 108.6° | 108.6° |
| C06 | C07 | H072 | 108.1° | 108.1° |
| C07 | S08 | O09 | 108.9° | 108.9° |
| C07 | S08 | O10 | 102.9° | 102.9° |
| C07 | S08 | N11 | 117.0° | 117.0° |
| S08 | C07 | H071 | 108.6° | 108.6° |
| S08 | C07 | H072 | 108.1° | 108.1° |
| O09 | S08 | O10 | 110.8° | 110.8° |
| O09 | S08 | N11 | 106.8° | 106.8° |
| O10 | S08 | N11 | 110.3° | 110.3° |
| S08 | N11 | C12 | 121.3° | 121.3° |
| S08 | N11 | C13 | 121.5° | 121.5° |
| C12 | N11 | C13 | 114.3° | 114.3° |
| N11 | C12 | H121 | 109.5° | 109.5° |
| N11 | C12 | H122 | 109.5° | 109.5° |
| N11 | C12 | H123 | 109.5° | 109.5° |
| N11 | C13 | C14 | 124.4° | 124.4° |
| N11 | C13 | C18 | 115.4° | 115.4° |
| C14 | C13 | C18 | 120.1° | 120.1° |
| C13 | C14 | C15 | 118.7° | 118.7° |
| C13 | C14 | H14 | 120.6° | 120.6° |
| C13 | C18 | C17 | 121.0° | 121.0° |
| C14 | C15 | C16 | 123.7° | 123.7° |
| C14 | C15 | C19 | 114.0° | 114.0° |
| C15 | C14 | H14 | 120.7° | 120.7° |
| C16 | C15 | C19 | 122.3° | 122.3° |
| C15 | C16 | C17 | 116.8° | 116.8° |
| C15 | C16 | H16 | 121.6° | 121.6° |
| C15 | C19 | O20 | 119.0° | 119.0° |
| C15 | C19 | N21 | 114.7° | 114.7° |
| C16 | C17 | C18 | 119.7° | 119.7° |
| C17 | C16 | H16 | 121.6° | 121.6° |
| O20 | C19 | N21 | 123.4° | 123.4° |
| C19 | N21 | C22 | 122.2° | 122.2° |
| C19 | N21 | H21 | 118.9° | 118.9° |
| N21 | C22 | C23 | 104.9° | 104.9° |
| N21 | C22 | C30 | 106.9° | 106.9° |
| C22 | N21 | H21 | 118.9° | 118.9° |
| N21 | C22 | H22 | 114.6° | 114.6° |
| C23 | C22 | C30 | 111.3° | 111.3° |
| C22 | C23 | C24 | 111.9° | 111.9° |
| C23 | C22 | H22 | 110.5° | 110.5° |
| C22 | C23 | H231 | 108.7° | 108.7° |
| C22 | C23 | H232 | 108.1° | 108.1° |
| C22 | C30 | O31 | 108.0° | 108.0° |
| C22 | C30 | C32 | 110.8° | 110.8° |
| C30 | C22 | H22 | 108.6° | 108.6° |
| C22 | C30 | H30 | 108.7° | 108.7° |
| C23 | C24 | C25 | 121.4° | 121.4° |
| C23 | C24 | C29 | 117.5° | 117.5° |
| C24 | C23 | H231 | 108.7° | 108.7° |
| C24 | C23 | H232 | 108.1° | 108.1° |
| C25 | C24 | C29 | 121.0° | 121.0° |
| C24 | C25 | C26 | 119.4° | 119.4° |
| C24 | C25 | H25 | 120.3° | 120.3° |
| C24 | C29 | C28 | 119.6° | 119.6° |
| C24 | C29 | H29 | 120.2° | 120.2° |
| C25 | C26 | C27 | 119.1° | 119.1° |
| C26 | C25 | H25 | 120.3° | 120.3° |
| C25 | C26 | H26 | 120.4° | 120.4° |
| C26 | C27 | C28 | 121.7° | 121.7° |
| C27 | C26 | H26 | 120.4° | 120.4° |
| C26 | C27 | H27 | 119.1° | 119.1° |
| C27 | C28 | C29 | 119.1° | 119.1° |
| C28 | C27 | H27 | 119.1° | 119.1° |
| C27 | C28 | H28 | 120.5° | 120.5° |
| C28 | C29 | H29 | 120.2° | 120.2° |
| C29 | C28 | H28 | 120.5° | 120.5° |
| O31 | C30 | C32 | 106.7° | 106.7° |
| O31 | C30 | H30 | 112.7° | 112.7° |
| C30 | O31 | H31 | 109.5° | 109.5° |
| C30 | C32 | N33 | 107.8° | 107.8° |
| C32 | C30 | H30 | 110.0° | 110.0° |
| C30 | C32 | H321 | 110.0° | 110.1° |
| C30 | C32 | H322 | 110.4° | 110.4° |
| C32 | N33 | C34 | 113.2° | 113.2° |
| N33 | C32 | H321 | 110.1° | 110.0° |
| N33 | C32 | H322 | 110.5° | 110.4° |
| C32 | N33 | H33 | 108.2° | 108.2° |
| N33 | C34 | C35 | 112.3° | 112.3° |
| C34 | N33 | H33 | 108.3° | 108.3° |
| N33 | C34 | H341 | 108.5° | 108.5° |
| N33 | C34 | H342 | 107.9° | 107.9° |
| C34 | C35 | C36 | 120.4° | 120.4° |
| C34 | C35 | C40 | 119.7° | 119.7° |
| C35 | C34 | H341 | 108.5° | 108.5° |
| C35 | C34 | H342 | 107.9° | 107.9° |
| C36 | C35 | C40 | 119.8° | 119.8° |
| C35 | C36 | C37 | 119.8° | 119.8° |
| C35 | C36 | H36 | 120.1° | 120.1° |
| C35 | C40 | C39 | 119.8° | 119.8° |
| C35 | C40 | H40 | 120.1° | 120.1° |
| C36 | C37 | C38 | 120.3° | 120.3° |
| C37 | C36 | H36 | 120.1° | 120.1° |
| C36 | C37 | H37 | 119.9° | 119.9° |
| C37 | C38 | C39 | 119.4° | 119.4° |
| C38 | C37 | H37 | 119.8° | 119.8° |
| C37 | C38 | H38 | 120.3° | 120.3° |
| C38 | C39 | C40 | 120.8° | 120.8° |
| C38 | C39 | C41 | 121.0° | 121.0° |
| C39 | C38 | H38 | 120.3° | 120.3° |
| C40 | C39 | C41 | 118.2° | 118.2° |
| C39 | C40 | H40 | 120.1° | 120.1° |
| C39 | C41 | F42 | 111.4° | 111.4° |
| C39 | C41 | F43 | 108.6° | 108.6° |
| C39 | C41 | F44 | 110.7° | 110.7° |
| F42 | C41 | F43 | 107.5° | 107.5° |
| F42 | C41 | F44 | 108.9° | 108.9° |
| F43 | C41 | F44 | 109.7° | 109.7° |
| H011 | C01 | H012 | 109.4° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H021 | C02 | H022 | 110.2° | 110.2° |
| H061 | C06 | H062 | 122.2° | 122.2° |
| H071 | C07 | H072 | 111.5° | 111.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.4° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H231 | C23 | H232 | 111.4° | 111.4° |
| H321 | C32 | H322 | 108.1° | 108.2° |
| H341 | C34 | H342 | 111.7° | 111.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H021 | 120.0° | 120.0° |
| C01 | C02 | C03 | H022 | 119.6° | 119.6° |
| C01 | C02 | C03 | C04 | 112.9° | 112.9° |
| C01 | C02 | C03 | C17 | 67.5° | 67.5° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 119.6° | 119.6° |
| C02 | C03 | C04 | C17 | 179.7° | 179.7° |
| C02 | C03 | C04 | N05 | 178.5° | 178.5° |
| C02 | C03 | C17 | C16 | 0.7° | 0.7° |
| C02 | C03 | C17 | C18 | 179.5° | 179.5° |
| C03 | C02 | C01 | H011 | 33.1° | 33.1° |
| C03 | C02 | C01 | H012 | 86.9° | 86.9° |
| C03 | C02 | C01 | H013 | 153.1° | 153.1° |
| C03 | C02 | H021 | H022 | 119.6° | 119.6° |
| C02 | C03 | C04 | H04 | 1.5° | 1.5° |
| C03 | C04 | N05 | H04 | 180.0° | 180.0° |
| C03 | C04 | N05 | C06 | 176.9° | 176.9° |
| C03 | C04 | N05 | C18 | 3.2° | 3.2° |
| C04 | C03 | C17 | C16 | 178.9° | 178.9° |
| C04 | C03 | C17 | C18 | 0.2° | 0.2° |
| C04 | C03 | C02 | H021 | 7.1° | 7.1° |
| C04 | C03 | C02 | H022 | 127.5° | 127.5° |
| C17 | C03 | C04 | N05 | 1.8° | 1.8° |
| C03 | C17 | C18 | N05 | 2.0° | 2.0° |
| C03 | C17 | C18 | C13 | 178.5° | 178.5° |
| C03 | C17 | C16 | C15 | 178.8° | 178.8° |
| C03 | C17 | C16 | C18 | 178.6° | 178.6° |
| C17 | C03 | C02 | H021 | 172.5° | 172.5° |
| C17 | C03 | C02 | H022 | 52.1° | 52.1° |
| C17 | C03 | C04 | H04 | 178.2° | 178.2° |
| C03 | C17 | C16 | H16 | 1.2° | 1.2° |
| C04 | N05 | C06 | C18 | 172.0° | 172.0° |
| C04 | N05 | C06 | C07 | 151.1° | 151.1° |
| C04 | N05 | C18 | C13 | 177.3° | 177.3° |
| C04 | N05 | C18 | C17 | 3.3° | 3.3° |
| C04 | N05 | C06 | H061 | 31.1° | 31.1° |
| C04 | N05 | C06 | H062 | 96.8° | 96.8° |
| N05 | C06 | C07 | H061 | 120.0° | 120.0° |
| N05 | C06 | C07 | H062 | 112.2° | 112.2° |
| N05 | C06 | C07 | S08 | 15.7° | 15.7° |
| C06 | N05 | C18 | C13 | 5.2° | 5.2° |
| C06 | N05 | C18 | C17 | 175.5° | 175.5° |
| C06 | N05 | C04 | H04 | 3.1° | 3.1° |
| N05 | C06 | H061 | H062 | 113.8° | 113.8° |
| N05 | C06 | C07 | H071 | 104.3° | 104.3° |
| N05 | C06 | C07 | H072 | 134.6° | 134.6° |
| C18 | N05 | C06 | C07 | 37.0° | 37.0° |
| N05 | C18 | C13 | N11 | 2.0° | 2.0° |
| N05 | C18 | C13 | C14 | 177.7° | 177.7° |
| N05 | C18 | C13 | C17 | 179.3° | 179.3° |
| N05 | C18 | C17 | C16 | 179.0° | 179.0° |
| C18 | N05 | C04 | H04 | 176.8° | 176.8° |
| C18 | N05 | C06 | H061 | 156.9° | 156.9° |
| C18 | N05 | C06 | H062 | 75.2° | 75.2° |
| C06 | C07 | S08 | H071 | 120.0° | 120.0° |
| C06 | C07 | S08 | H072 | 118.9° | 118.9° |
| C06 | C07 | S08 | O09 | 163.5° | 163.5° |
| C06 | C07 | S08 | O10 | 78.9° | 78.9° |
| C06 | C07 | S08 | N11 | 42.3° | 42.3° |
| C07 | C06 | H061 | H062 | 113.8° | 113.8° |
| C06 | C07 | H071 | H072 | 119.0° | 119.0° |
| C07 | S08 | O09 | O10 | 112.5° | 112.5° |
| C07 | S08 | O09 | N11 | 127.3° | 127.3° |
| C07 | S08 | O10 | N11 | 125.6° | 125.6° |
| C07 | S08 | N11 | C12 | 76.9° | 76.9° |
| C07 | S08 | N11 | C13 | 82.7° | 82.7° |
| S08 | C07 | C06 | H061 | 135.7° | 135.7° |
| S08 | C07 | C06 | H062 | 96.4° | 96.4° |
| S08 | C07 | H071 | H072 | 118.9° | 118.9° |
| O09 | S08 | O10 | N11 | 118.1° | 118.1° |
| O09 | S08 | N11 | C12 | 45.4° | 45.4° |
| O09 | S08 | N11 | C13 | 155.0° | 155.0° |
| O09 | S08 | C07 | H071 | 76.5° | 76.5° |
| O09 | S08 | C07 | H072 | 44.6° | 44.6° |
| O10 | S08 | N11 | C12 | 165.9° | 165.9° |
| O10 | S08 | N11 | C13 | 34.5° | 34.5° |
| O10 | S08 | C07 | H071 | 41.1° | 41.1° |
| O10 | S08 | C07 | H072 | 162.2° | 162.2° |
| S08 | N11 | C12 | C13 | 161.0° | 161.0° |
| S08 | N11 | C13 | C14 | 129.4° | 129.4° |
| S08 | N11 | C13 | C18 | 46.1° | 46.1° |
| N11 | S08 | C07 | H071 | 162.3° | 162.3° |
| N11 | S08 | C07 | H072 | 76.7° | 76.7° |
| S08 | N11 | C12 | H121 | 155.6° | 155.6° |
| S08 | N11 | C12 | H122 | 84.4° | 84.4° |
| S08 | N11 | C12 | H123 | 35.6° | 35.6° |
| C12 | N11 | C13 | C14 | 69.7° | 69.7° |
| C12 | N11 | C13 | C18 | 114.8° | 114.8° |
| N11 | C12 | H121 | H122 | 120.0° | 120.0° |
| N11 | C12 | H121 | H123 | 120.0° | 120.0° |
| N11 | C12 | H122 | H123 | 120.0° | 120.0° |
| N11 | C13 | C14 | C18 | 175.3° | 175.3° |
| N11 | C13 | C14 | C15 | 177.4° | 177.4° |
| N11 | C13 | C18 | C17 | 177.3° | 177.3° |
| C13 | N11 | C12 | H121 | 5.4° | 5.4° |
| C13 | N11 | C12 | H122 | 114.6° | 114.6° |
| C13 | N11 | C12 | H123 | 125.4° | 125.4° |
| N11 | C13 | C14 | H14 | 2.6° | 2.6° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.5° | 1.5° |
| C13 | C14 | C15 | C19 | 178.2° | 178.2° |
| C14 | C13 | C18 | C17 | 1.5° | 1.5° |
| C18 | C13 | C14 | C15 | 2.0° | 2.0° |
| C13 | C18 | C17 | C16 | 0.4° | 0.4° |
| C18 | C13 | C14 | H14 | 178.0° | 178.0° |
| C14 | C15 | C16 | C19 | 179.7° | 179.7° |
| C14 | C15 | C16 | C17 | 0.4° | 0.4° |
| C14 | C15 | C19 | O20 | 52.1° | 52.1° |
| C14 | C15 | C19 | N21 | 146.5° | 146.5° |
| C14 | C15 | C16 | H16 | 179.6° | 179.6° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C16 | C15 | C19 | O20 | 127.7° | 127.7° |
| C16 | C15 | C19 | N21 | 33.7° | 33.7° |
| C16 | C15 | C14 | H14 | 178.5° | 178.5° |
| C19 | C15 | C16 | C17 | 179.3° | 179.3° |
| C15 | C19 | O20 | N21 | 159.7° | 159.7° |
| C15 | C19 | N21 | C22 | 160.4° | 160.4° |
| C19 | C15 | C14 | H14 | 1.7° | 1.7° |
| C19 | C15 | C16 | H16 | 0.7° | 0.7° |
| C15 | C19 | N21 | H21 | 19.6° | 19.6° |
| C18 | C17 | C16 | H16 | 179.9° | 179.9° |
| O20 | C19 | N21 | C22 | 0.1° | 0.1° |
| O20 | C19 | N21 | H21 | 179.9° | 179.9° |
| C19 | N21 | C22 | H21 | 180.0° | 180.0° |
| C19 | N21 | C22 | C23 | 140.5° | 140.5° |
| C19 | N21 | C22 | C30 | 101.2° | 101.2° |
| C19 | N21 | C22 | H22 | 19.1° | 19.1° |
| N21 | C22 | C23 | C30 | 115.3° | 115.3° |
| N21 | C22 | C23 | H22 | 124.0° | 124.0° |
| N21 | C22 | C30 | H22 | 124.1° | 124.1° |
| N21 | C22 | C23 | C24 | 49.6° | 49.6° |
| N21 | C22 | C30 | O31 | 173.0° | 173.0° |
| N21 | C22 | C30 | C32 | 70.4° | 70.4° |
| N21 | C22 | C23 | H231 | 70.3° | 70.3° |
| N21 | C22 | C23 | H232 | 168.6° | 168.6° |
| N21 | C22 | C30 | H30 | 50.5° | 50.5° |
| C23 | C22 | C30 | H22 | 121.8° | 121.8° |
| C22 | C23 | C24 | H231 | 120.0° | 120.0° |
| C22 | C23 | C24 | H232 | 119.0° | 119.0° |
| C22 | C23 | C24 | C25 | 45.4° | 45.4° |
| C22 | C23 | C24 | C29 | 135.3° | 135.3° |
| C23 | C22 | C30 | O31 | 59.0° | 59.0° |
| C23 | C22 | C30 | C32 | 175.5° | 175.5° |
| C23 | C22 | N21 | H21 | 39.5° | 39.5° |
| C22 | C23 | H231 | H232 | 119.0° | 119.0° |
| C23 | C22 | C30 | H30 | 63.5° | 63.5° |
| C30 | C22 | C23 | C24 | 164.9° | 164.9° |
| C22 | C30 | O31 | C32 | 119.2° | 119.2° |
| C22 | C30 | O31 | H30 | 120.1° | 120.1° |
| C22 | C30 | C32 | H30 | 120.2° | 120.2° |
| C22 | C30 | C32 | N33 | 175.7° | 175.7° |
| C30 | C22 | N21 | H21 | 78.7° | 78.7° |
| C30 | C22 | C23 | H231 | 45.0° | 45.0° |
| C30 | C22 | C23 | H232 | 76.1° | 76.1° |
| C22 | C30 | O31 | H31 | 145.8° | 145.8° |
| C22 | C30 | C32 | H321 | 64.3° | 64.3° |
| C22 | C30 | C32 | H322 | 55.0° | 55.0° |
| C23 | C24 | C25 | C29 | 179.2° | 179.2° |
| C23 | C24 | C25 | C26 | 179.8° | 179.8° |
| C23 | C24 | C29 | C28 | 179.9° | 179.9° |
| C24 | C23 | C22 | H22 | 74.4° | 74.4° |
| C24 | C23 | H231 | H232 | 119.0° | 119.0° |
| C23 | C24 | C25 | H25 | 0.2° | 0.2° |
| C23 | C24 | C29 | H29 | 0.1° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.2° |
| C25 | C24 | C29 | C28 | 0.9° | 0.9° |
| C25 | C24 | C23 | H231 | 165.4° | 165.4° |
| C25 | C24 | C23 | H232 | 73.5° | 73.5° |
| C25 | C24 | C29 | H29 | 179.1° | 179.2° |
| C24 | C25 | C26 | H26 | 179.7° | 179.7° |
| C29 | C24 | C25 | C26 | 0.6° | 0.6° |
| C24 | C29 | C28 | C27 | 0.8° | 0.8° |
| C24 | C29 | C28 | H29 | 180.0° | 180.0° |
| C29 | C24 | C23 | H231 | 15.3° | 15.3° |
| C29 | C24 | C23 | H232 | 105.7° | 105.7° |
| C29 | C24 | C25 | H25 | 179.5° | 179.5° |
| C24 | C29 | C28 | H28 | 179.2° | 179.2° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.2° |
| C25 | C26 | C27 | H27 | 179.8° | 179.8° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.5° | 0.5° |
| C27 | C26 | C25 | H25 | 179.8° | 179.8° |
| C26 | C27 | C28 | H28 | 179.5° | 179.5° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 179.2° | 179.2° |
| C28 | C27 | C26 | H26 | 179.7° | 179.7° |
| C29 | C28 | C27 | H27 | 179.5° | 179.5° |
| O31 | C30 | C32 | H30 | 122.5° | 122.5° |
| O31 | C30 | C32 | N33 | 58.4° | 58.4° |
| O31 | C30 | C22 | H22 | 62.8° | 62.8° |
| O31 | C30 | C32 | H321 | 178.4° | 178.4° |
| O31 | C30 | C32 | H322 | 62.3° | 62.3° |
| C30 | C32 | N33 | H321 | 120.0° | 120.0° |
| C30 | C32 | N33 | H322 | 120.7° | 120.7° |
| C30 | C32 | N33 | C34 | 159.7° | 159.7° |
| C32 | C30 | C22 | H22 | 53.7° | 53.7° |
| C32 | C30 | O31 | H31 | 26.7° | 26.7° |
| C30 | C32 | H321 | H322 | 120.7° | 120.7° |
| C30 | C32 | N33 | H33 | 39.7° | 39.7° |
| C32 | N33 | C34 | H33 | 120.0° | 120.0° |
| C32 | N33 | C34 | C35 | 57.5° | 57.5° |
| N33 | C32 | C30 | H30 | 64.1° | 64.1° |
| N33 | C32 | H321 | H322 | 120.7° | 120.7° |
| C32 | N33 | C34 | H341 | 177.5° | 177.5° |
| C32 | N33 | C34 | H342 | 61.3° | 61.3° |
| N33 | C34 | C35 | H341 | 120.0° | 120.0° |
| N33 | C34 | C35 | H342 | 118.8° | 118.8° |
| N33 | C34 | C35 | C36 | 117.7° | 117.7° |
| N33 | C34 | C35 | C40 | 62.6° | 62.6° |
| C34 | N33 | C32 | H321 | 80.3° | 80.3° |
| C34 | N33 | C32 | H322 | 39.0° | 39.0° |
| N33 | C34 | H341 | H342 | 118.8° | 118.8° |
| C34 | C35 | C36 | C40 | 179.8° | 179.8° |
| C34 | C35 | C36 | C37 | 179.9° | 179.9° |
| C34 | C35 | C40 | C39 | 179.9° | 179.9° |
| C35 | C34 | N33 | H33 | 62.5° | 62.5° |
| C35 | C34 | H341 | H342 | 118.9° | 118.9° |
| C34 | C35 | C36 | H36 | 0.1° | 0.1° |
| C34 | C35 | C40 | H40 | 0.2° | 0.2° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.8° | 0.8° |
| C36 | C35 | C40 | C39 | 0.1° | 0.1° |
| C36 | C35 | C34 | H341 | 122.3° | 122.3° |
| C36 | C35 | C34 | H342 | 1.1° | 1.1° |
| C36 | C35 | C40 | H40 | 179.9° | 179.9° |
| C35 | C36 | C37 | H37 | 179.2° | 179.2° |
| C40 | C35 | C36 | C37 | 0.1° | 0.1° |
| C35 | C40 | C39 | C38 | 0.7° | 0.7° |
| C35 | C40 | C39 | H40 | 180.0° | 180.0° |
| C35 | C40 | C39 | C41 | 180.0° | 180.0° |
| C40 | C35 | C34 | H341 | 57.4° | 57.4° |
| C40 | C35 | C34 | H342 | 178.7° | 178.7° |
| C40 | C35 | C36 | H36 | 179.9° | 179.9° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 1.4° | 1.4° |
| C36 | C37 | C38 | H38 | 178.6° | 178.5° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 1.4° | 1.4° |
| C37 | C38 | C39 | C41 | 179.4° | 179.4° |
| C38 | C37 | C36 | H36 | 179.2° | 179.2° |
| C38 | C39 | C40 | C41 | 179.2° | 179.2° |
| C38 | C39 | C41 | F42 | 129.7° | 129.7° |
| C38 | C39 | C41 | F43 | 112.2° | 112.2° |
| C38 | C39 | C41 | F44 | 8.3° | 8.3° |
| C38 | C39 | C40 | H40 | 179.3° | 179.3° |
| C39 | C38 | C37 | H37 | 178.6° | 178.6° |
| C40 | C39 | C41 | F42 | 49.6° | 49.6° |
| C40 | C39 | C41 | F43 | 68.6° | 68.6° |
| C40 | C39 | C41 | F44 | 170.9° | 170.9° |
| C40 | C39 | C38 | H38 | 178.6° | 178.6° |
| C39 | C41 | F42 | F43 | 118.9° | 118.9° |
| C39 | C41 | F42 | F44 | 122.3° | 122.3° |
| C39 | C41 | F43 | F44 | 121.1° | 121.1° |
| C41 | C39 | C40 | H40 | 0.0° | 0.0° |
| C41 | C39 | C38 | H38 | 0.6° | 0.6° |
| F42 | C41 | F43 | F44 | 118.3° | 118.3° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 87.0° | 87.0° |
| H011 | C01 | C02 | H022 | 152.7° | 152.7° |
| H012 | C01 | C02 | H021 | 153.1° | 153.1° |
| H012 | C01 | C02 | H022 | 32.7° | 32.7° |
| H013 | C01 | C02 | H021 | 33.0° | 33.0° |
| H013 | C01 | C02 | H022 | 87.3° | 87.3° |
| H061 | C06 | C07 | H071 | 15.7° | 15.7° |
| H061 | C06 | C07 | H072 | 105.4° | 105.4° |
| H062 | C06 | C07 | H071 | 143.6° | 143.6° |
| H062 | C06 | C07 | H072 | 22.5° | 22.5° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| H21 | N21 | C22 | H22 | 160.9° | 160.9° |
| H22 | C22 | C23 | H231 | 165.7° | 165.7° |
| H22 | C22 | C23 | H232 | 44.6° | 44.6° |
| H22 | C22 | C30 | H30 | 174.7° | 174.7° |
| H30 | C30 | O31 | H31 | 94.1° | 94.1° |
| H30 | C30 | C32 | H321 | 55.9° | 55.9° |
| H30 | C30 | C32 | H322 | 175.2° | 175.2° |
| H25 | C25 | C26 | H26 | 0.3° | 0.3° |
| H29 | C29 | C28 | H28 | 0.8° | 0.8° |
| H26 | C26 | C27 | H27 | 0.3° | 0.3° |
| H27 | C27 | C28 | H28 | 0.5° | 0.5° |
| H321 | C32 | N33 | H33 | 159.7° | 159.7° |
| H322 | C32 | N33 | H33 | 81.0° | 81.0° |
| H33 | N33 | C34 | H341 | 57.5° | 57.5° |
| H33 | N33 | C34 | H342 | 178.8° | 178.8° |
| H36 | C36 | C37 | H37 | 0.8° | 0.8° |
| H37 | C37 | C38 | H38 | 1.4° | 1.5° |
