A1EDS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL27 | C26 | sing | 1.74Å | 1.77Å | |
| F18 | C14 | sing | 1.35Å | 1.36Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| O20 | C19 | doub | 1.22Å | 1.18Å | |
| C22 | N21 | sing | 1.47Å | 1.44Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | N21 | sing | 1.34Å | 1.49Å | |
| C19 | C08 | sing | 1.42Å | 1.59Å | |
| N21 | C30 | sing | 1.39Å | 1.45Å | |
| C12 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C09 | C08 | sing | 1.51Å | 1.44Å | |
| C09 | N10 | sing | 1.47Å | 1.58Å | |
| C08 | C07 | doub | 1.34Å | 1.49Å | |
| C30 | N31 | doub | 1.30Å | 1.47Å | |
| C30 | N34 | sing | 1.37Å | 1.41Å | |
| C11 | N10 | sing | 1.47Å | 1.25Å | |
| N10 | C05 | sing | 1.47Å | 1.26Å | |
| N31 | C32 | sing | 1.47Å | 1.43Å | |
| C07 | N34 | sing | 1.37Å | 1.43Å | |
| C07 | C06 | sing | 1.51Å | 1.36Å | |
| N34 | C33 | sing | 1.47Å | 1.46Å | |
| C05 | C06 | sing | 1.53Å | 1.65Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.54Å | 1.50Å | |
| C04 | O03 | sing | 1.43Å | 1.39Å | |
| O03 | C02 | sing | 1.43Å | 1.40Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL27 | C26 | C25 | 119.6° | 120.0° |
| CL27 | C26 | C28 | 119.9° | 120.0° |
| F18 | C14 | C15 | 119.2° | 120.0° |
| F18 | C14 | C13 | 120.6° | 120.1° |
| C25 | C26 | C28 | 120.5° | 120.0° |
| C26 | C25 | C24 | 119.6° | 120.0° |
| C26 | C25 | H251 | 120.2° | 120.0° |
| C26 | C28 | C29 | 119.9° | 119.9° |
| C26 | C28 | H281 | 120.0° | 120.0° |
| C25 | C24 | C23 | 120.1° | 120.0° |
| C25 | C24 | H241 | 119.9° | 119.9° |
| C24 | C25 | H251 | 120.2° | 120.0° |
| C28 | C29 | C23 | 119.6° | 120.1° |
| C29 | C28 | H281 | 120.0° | 120.1° |
| C28 | C29 | H291 | 120.2° | 120.0° |
| C24 | C23 | C29 | 120.2° | 120.0° |
| C24 | C23 | C22 | 118.2° | 120.0° |
| C23 | C24 | H241 | 120.0° | 120.0° |
| C15 | C14 | C13 | 120.2° | 119.9° |
| C14 | C15 | C16 | 119.8° | 120.0° |
| C14 | C15 | H151 | 120.1° | 120.0° |
| C14 | C13 | C12 | 119.8° | 120.0° |
| C14 | C13 | H131 | 120.1° | 120.0° |
| C29 | C23 | C22 | 121.6° | 120.0° |
| C23 | C29 | H291 | 120.2° | 119.9° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C16 | C15 | H151 | 120.1° | 120.0° |
| C15 | C16 | H161 | 120.1° | 120.0° |
| C23 | C22 | N21 | 112.6° | 109.4° |
| C23 | C22 | H221 | 108.7° | 109.5° |
| C23 | C22 | H222 | 108.7° | 109.5° |
| O20 | C19 | N21 | 120.9° | 119.9° |
| O20 | C19 | C08 | 121.9° | 119.8° |
| C22 | N21 | C19 | 121.9° | 119.9° |
| C22 | N21 | C30 | 119.9° | 119.9° |
| N21 | C22 | H221 | 108.7° | 109.5° |
| N21 | C22 | H222 | 108.7° | 109.5° |
| C13 | C12 | C17 | 119.8° | 120.0° |
| C13 | C12 | C11 | 121.0° | 120.0° |
| C12 | C13 | H131 | 120.0° | 120.0° |
| C16 | C17 | C12 | 120.4° | 120.0° |
| C16 | C17 | H171 | 119.8° | 120.0° |
| C17 | C16 | H161 | 120.0° | 120.0° |
| N21 | C19 | C08 | 117.2° | 120.4° |
| C19 | N21 | C30 | 118.3° | 120.2° |
| C19 | C08 | C09 | 118.5° | 118.4° |
| C19 | C08 | C07 | 119.5° | 119.2° |
| N21 | C30 | N31 | 125.0° | 127.8° |
| N21 | C30 | N34 | 123.5° | 118.9° |
| C17 | C12 | C11 | 119.2° | 120.0° |
| C12 | C17 | H171 | 119.8° | 120.0° |
| C12 | C11 | N10 | 111.2° | 109.5° |
| C12 | C11 | H111 | 109.0° | 109.4° |
| C12 | C11 | H112 | 109.0° | 109.5° |
| C08 | C09 | N10 | 113.4° | 110.6° |
| C09 | C08 | C07 | 122.0° | 122.4° |
| C08 | C09 | H091 | 108.5° | 109.2° |
| C08 | C09 | H092 | 108.5° | 109.3° |
| C09 | N10 | C11 | 108.4° | 111.0° |
| C09 | N10 | C05 | 109.5° | 110.1° |
| N10 | C09 | H091 | 108.4° | 109.3° |
| N10 | C09 | H092 | 108.5° | 109.2° |
| C08 | C07 | N34 | 117.3° | 120.0° |
| C08 | C07 | C06 | 118.3° | 122.0° |
| N31 | C30 | N34 | 111.5° | 113.3° |
| C30 | N31 | C32 | 106.3° | 110.5° |
| C30 | N34 | C07 | 124.2° | 121.3° |
| C30 | N34 | C33 | 106.8° | 108.9° |
| C11 | N10 | C05 | 114.6° | 111.0° |
| N10 | C11 | H111 | 109.0° | 109.5° |
| N10 | C11 | H112 | 109.1° | 109.5° |
| N10 | C05 | C06 | 111.3° | 108.3° |
| N10 | C05 | C04 | 117.3° | 109.7° |
| N10 | C05 | H051 | 110.7° | 109.7° |
| N31 | C32 | C33 | 108.0° | 104.0° |
| N31 | C32 | H322 | 109.8° | 110.5° |
| N31 | C32 | H321 | 109.9° | 110.6° |
| N34 | C07 | C06 | 124.4° | 118.0° |
| C07 | N34 | C33 | 129.0° | 129.8° |
| C07 | C06 | C05 | 112.7° | 110.1° |
| C07 | C06 | H062 | 108.7° | 109.4° |
| C07 | C06 | H061 | 108.7° | 109.3° |
| N34 | C33 | C32 | 107.5° | 103.3° |
| N34 | C33 | H331 | 110.0° | 110.7° |
| N34 | C33 | H332 | 110.0° | 110.8° |
| C06 | C05 | C04 | 104.3° | 109.7° |
| C06 | C05 | H051 | 105.6° | 109.7° |
| C05 | C06 | H062 | 108.7° | 109.3° |
| C05 | C06 | H061 | 108.7° | 109.4° |
| C05 | C04 | O03 | 110.4° | 109.5° |
| C05 | C04 | H042 | 109.2° | 109.4° |
| C05 | C04 | H041 | 109.2° | 109.5° |
| C04 | C05 | H051 | 106.9° | 109.7° |
| C33 | C32 | H322 | 109.8° | 110.6° |
| C33 | C32 | H321 | 109.9° | 110.5° |
| C32 | C33 | H331 | 110.0° | 110.7° |
| C32 | C33 | H332 | 110.0° | 110.7° |
| C04 | O03 | C02 | 112.2° | 114.0° |
| O03 | C04 | H042 | 109.2° | 109.4° |
| O03 | C04 | H041 | 109.2° | 109.5° |
| O03 | C02 | C01 | 109.5° | 109.4° |
| O03 | C02 | H021 | 109.4° | 109.5° |
| O03 | C02 | H022 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C01 | C02 | H021 | 109.5° | 109.5° |
| C01 | C02 | H022 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.4° | 109.3° |
| H091 | C09 | H092 | 109.5° | 109.2° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H322 | C32 | H321 | 109.5° | 110.5° |
| H331 | C33 | H332 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL27 | C26 | C25 | C28 | 179.9° | 179.5° |
| CL27 | C26 | C25 | C24 | 179.9° | 180.0° |
| CL27 | C26 | C28 | C29 | 179.9° | 179.8° |
| CL27 | C26 | C28 | H281 | 0.1° | 0.5° |
| CL27 | C26 | C25 | H251 | 0.1° | 0.1° |
| F18 | C14 | C15 | C13 | 179.8° | 180.0° |
| F18 | C14 | C15 | C16 | 179.9° | 179.9° |
| F18 | C14 | C13 | C12 | 179.9° | 180.0° |
| F18 | C14 | C13 | H131 | 0.0° | 0.2° |
| F18 | C14 | C15 | H151 | 0.1° | 0.3° |
| C26 | C25 | C24 | H251 | 180.0° | 179.9° |
| C25 | C26 | C28 | C29 | 0.0° | 0.8° |
| C26 | C25 | C24 | C23 | 0.2° | 0.0° |
| C26 | C25 | C24 | H241 | 179.8° | 179.7° |
| C25 | C26 | C28 | H281 | 180.0° | 180.0° |
| C28 | C26 | C25 | C24 | 0.0° | 0.5° |
| C26 | C28 | C29 | H281 | 180.0° | 179.3° |
| C26 | C28 | C29 | C23 | 0.2° | 0.5° |
| C28 | C26 | C25 | H251 | 180.0° | 179.5° |
| C26 | C28 | C29 | H291 | 179.8° | 180.0° |
| C25 | C24 | C23 | H241 | 180.0° | 179.7° |
| C25 | C24 | C23 | C29 | 0.5° | 0.3° |
| C25 | C24 | C23 | C22 | 179.7° | 179.8° |
| C28 | C29 | C23 | C24 | 0.4° | 0.0° |
| C28 | C29 | C23 | H291 | 180.0° | 179.5° |
| C28 | C29 | C23 | C22 | 179.6° | 180.0° |
| C24 | C23 | C29 | C22 | 179.2° | 180.0° |
| C24 | C23 | C22 | N21 | 150.9° | 90.0° |
| C24 | C23 | C22 | H221 | 30.4° | 150.0° |
| C24 | C23 | C22 | H222 | 88.6° | 30.0° |
| C23 | C24 | C25 | H251 | 179.8° | 180.0° |
| C24 | C23 | C29 | H291 | 179.6° | 179.5° |
| C14 | C15 | C16 | H151 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.3° | 0.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.3° |
| C15 | C14 | C13 | H131 | 179.7° | 179.7° |
| C14 | C15 | C16 | H161 | 179.9° | 179.8° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | H131 | 180.0° | 179.7° |
| C14 | C13 | C12 | C17 | 0.4° | 0.2° |
| C14 | C13 | C12 | C11 | 179.7° | 179.7° |
| C13 | C14 | C15 | H151 | 179.9° | 179.7° |
| C29 | C23 | C22 | N21 | 29.9° | 90.0° |
| C29 | C23 | C22 | H221 | 150.4° | 29.9° |
| C29 | C23 | C22 | H222 | 90.6° | 150.0° |
| C29 | C23 | C24 | H241 | 179.6° | 180.0° |
| C23 | C29 | C28 | H281 | 179.8° | 179.8° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.2° | 0.5° |
| C15 | C16 | C17 | H171 | 179.8° | 179.9° |
| C23 | C22 | N21 | H221 | 120.5° | 120.0° |
| C23 | C22 | N21 | H222 | 120.5° | 120.0° |
| C23 | C22 | N21 | C19 | 88.7° | 90.0° |
| C23 | C22 | N21 | C30 | 92.6° | 90.1° |
| C23 | C22 | H221 | H222 | 118.5° | 120.0° |
| C22 | C23 | C24 | H241 | 0.4° | 0.0° |
| C22 | C23 | C29 | H291 | 0.4° | 0.5° |
| O20 | C19 | N21 | C22 | 1.3° | 0.0° |
| O20 | C19 | N21 | C08 | 179.6° | 180.0° |
| O20 | C19 | N21 | C30 | 180.0° | 179.9° |
| O20 | C19 | C08 | C09 | 0.9° | 0.5° |
| O20 | C19 | C08 | C07 | 179.7° | 179.6° |
| C22 | N21 | C19 | C30 | 178.7° | 179.9° |
| C22 | N21 | C19 | C08 | 179.1° | 180.0° |
| C22 | N21 | C30 | N31 | 0.8° | 0.2° |
| C22 | N21 | C30 | N34 | 179.3° | 179.8° |
| N21 | C22 | H221 | H222 | 118.6° | 120.1° |
| C13 | C12 | C17 | C16 | 0.4° | 0.5° |
| C13 | C12 | C17 | C11 | 179.3° | 180.0° |
| C13 | C12 | C11 | N10 | 121.0° | 90.0° |
| C13 | C12 | C17 | H171 | 179.6° | 180.0° |
| C13 | C12 | C11 | H111 | 0.7° | 150.0° |
| C13 | C12 | C11 | H112 | 118.7° | 30.0° |
| C16 | C17 | C12 | H171 | 180.0° | 179.5° |
| C16 | C17 | C12 | C11 | 179.7° | 179.5° |
| C17 | C16 | C15 | H151 | 179.9° | 180.0° |
| N21 | C19 | C08 | C09 | 178.7° | 179.5° |
| N21 | C19 | C08 | C07 | 0.1° | 0.4° |
| C19 | N21 | C30 | N31 | 179.5° | 179.9° |
| C19 | N21 | C30 | N34 | 0.5° | 0.1° |
| C19 | N21 | C22 | H221 | 150.9° | 29.9° |
| C19 | N21 | C22 | H222 | 31.8° | 150.0° |
| C08 | C19 | N21 | C30 | 0.4° | 0.1° |
| C19 | C08 | C09 | C07 | 178.8° | 179.9° |
| C19 | C08 | C09 | N10 | 170.7° | 162.4° |
| C19 | C08 | C07 | N34 | 0.1° | 0.5° |
| C19 | C08 | C07 | C06 | 179.6° | 179.3° |
| C19 | C08 | C09 | H091 | 68.7° | 77.2° |
| C19 | C08 | C09 | H092 | 50.1° | 42.2° |
| N21 | C30 | N31 | N34 | 180.0° | 180.0° |
| N21 | C30 | N31 | C32 | 179.8° | 180.0° |
| N21 | C30 | N34 | C07 | 0.4° | 0.1° |
| N21 | C30 | N34 | C33 | 179.7° | 179.9° |
| C30 | N21 | C22 | H221 | 27.9° | 150.0° |
| C30 | N21 | C22 | H222 | 146.9° | 29.9° |
| C17 | C12 | C11 | N10 | 59.7° | 90.0° |
| C17 | C12 | C13 | H131 | 179.6° | 180.0° |
| C17 | C12 | C11 | H111 | 180.0° | 30.0° |
| C17 | C12 | C11 | H112 | 60.6° | 150.0° |
| C12 | C17 | C16 | H161 | 179.8° | 179.5° |
| C12 | C11 | N10 | C09 | 61.8° | 64.4° |
| C12 | C11 | N10 | H111 | 120.2° | 120.0° |
| C12 | C11 | N10 | H112 | 120.3° | 120.0° |
| C12 | C11 | N10 | C05 | 175.6° | 172.9° |
| C11 | C12 | C13 | H131 | 0.3° | 0.0° |
| C11 | C12 | C17 | H171 | 0.3° | 0.0° |
| C12 | C11 | H111 | H112 | 119.2° | 120.0° |
| C08 | C09 | N10 | H091 | 120.6° | 120.3° |
| C08 | C09 | N10 | H092 | 120.6° | 120.3° |
| C08 | C09 | N10 | C11 | 169.6° | 175.3° |
| C08 | C09 | N10 | C05 | 43.9° | 52.0° |
| C09 | C08 | C07 | N34 | 178.9° | 179.5° |
| C09 | C08 | C07 | C06 | 0.8° | 0.8° |
| C08 | C09 | H091 | H092 | 118.2° | 119.5° |
| N10 | C09 | C08 | C07 | 8.1° | 17.6° |
| C09 | N10 | C11 | C05 | 122.6° | 122.7° |
| C09 | N10 | C05 | C06 | 65.3° | 70.2° |
| C09 | N10 | C05 | C04 | 174.7° | 170.1° |
| C09 | N10 | C05 | H051 | 51.8° | 49.6° |
| N10 | C09 | H091 | H092 | 118.2° | 119.4° |
| C09 | N10 | C11 | H111 | 58.4° | 55.6° |
| C09 | N10 | C11 | H112 | 177.9° | 175.6° |
| C08 | C07 | N34 | C30 | 0.1° | 0.2° |
| C08 | C07 | N34 | C06 | 179.6° | 179.8° |
| C08 | C07 | N34 | C33 | 180.0° | 179.8° |
| C08 | C07 | C06 | C05 | 18.2° | 17.2° |
| C08 | C07 | C06 | H062 | 102.3° | 137.3° |
| C08 | C07 | C06 | H061 | 138.7° | 103.0° |
| C07 | C08 | C09 | H091 | 112.4° | 102.7° |
| C07 | C08 | C09 | H092 | 128.7° | 137.9° |
| N31 | C30 | N34 | C07 | 179.7° | 179.9° |
| N31 | C30 | N34 | C33 | 0.3° | 0.1° |
| C30 | N31 | C32 | C33 | 0.0° | 0.0° |
| C30 | N31 | C32 | H322 | 119.7° | 118.7° |
| C30 | N31 | C32 | H321 | 119.8° | 118.7° |
| N34 | C30 | N31 | C32 | 0.2° | 0.0° |
| C30 | N34 | C07 | C33 | 179.9° | 180.0° |
| C30 | N34 | C07 | C06 | 179.7° | 179.5° |
| C30 | N34 | C33 | C32 | 0.2° | 0.1° |
| C30 | N34 | C33 | H331 | 119.9° | 118.4° |
| C30 | N34 | C33 | H332 | 119.4° | 118.6° |
| C11 | N10 | C05 | C06 | 172.7° | 166.5° |
| C11 | N10 | C05 | C04 | 52.8° | 46.8° |
| C11 | N10 | C05 | H051 | 70.2° | 73.7° |
| C11 | N10 | C09 | H091 | 49.0° | 55.0° |
| C11 | N10 | C09 | H092 | 69.9° | 64.4° |
| N10 | C11 | H111 | H112 | 119.2° | 120.0° |
| N10 | C05 | C06 | C07 | 56.1° | 50.1° |
| N10 | C05 | C06 | C04 | 127.4° | 119.7° |
| N10 | C05 | C06 | H051 | 120.2° | 119.7° |
| N10 | C05 | C04 | H051 | 124.8° | 120.5° |
| N10 | C05 | C04 | O03 | 56.2° | 62.2° |
| N10 | C05 | C04 | H042 | 176.4° | 177.9° |
| N10 | C05 | C04 | H041 | 63.9° | 57.8° |
| N10 | C05 | C06 | H062 | 64.4° | 170.3° |
| N10 | C05 | C06 | H061 | 176.6° | 70.0° |
| C05 | N10 | C09 | H091 | 76.6° | 68.3° |
| C05 | N10 | C09 | H092 | 164.5° | 172.3° |
| C05 | N10 | C11 | H111 | 64.1° | 67.2° |
| C05 | N10 | C11 | H112 | 55.3° | 52.8° |
| N31 | C32 | C33 | N34 | 0.1° | 0.1° |
| N31 | C32 | C33 | H322 | 119.7° | 118.6° |
| N31 | C32 | C33 | H321 | 119.8° | 118.7° |
| N31 | C32 | H322 | H321 | 120.7° | 122.7° |
| N31 | C32 | C33 | H331 | 119.9° | 118.4° |
| N31 | C32 | C33 | H332 | 119.5° | 118.7° |
| N34 | C07 | C06 | C05 | 162.2° | 163.1° |
| C07 | N34 | C33 | C32 | 179.7° | 179.9° |
| N34 | C07 | C06 | H062 | 77.3° | 42.9° |
| N34 | C07 | C06 | H061 | 41.7° | 76.8° |
| C07 | N34 | C33 | H331 | 60.0° | 61.6° |
| C07 | N34 | C33 | H332 | 60.6° | 61.4° |
| C06 | C07 | N34 | C33 | 0.4° | 0.5° |
| C07 | C06 | C05 | H062 | 120.5° | 120.2° |
| C07 | C06 | C05 | H061 | 120.5° | 120.1° |
| C07 | C06 | C05 | C04 | 176.5° | 169.8° |
| C07 | C06 | C05 | H051 | 64.0° | 69.6° |
| C07 | C06 | H062 | H061 | 118.5° | 119.6° |
| N34 | C33 | C32 | H331 | 119.7° | 118.4° |
| N34 | C33 | C32 | H332 | 119.7° | 118.6° |
| N34 | C33 | C32 | H322 | 119.9° | 118.5° |
| N34 | C33 | C32 | H321 | 119.6° | 118.8° |
| N34 | C33 | H331 | H332 | 120.9° | 123.2° |
| C06 | C05 | C04 | H051 | 111.5° | 120.6° |
| C06 | C05 | C04 | O03 | 67.4° | 56.6° |
| C06 | C05 | C04 | H042 | 52.7° | 63.3° |
| C06 | C05 | C04 | H041 | 172.4° | 176.7° |
| C05 | C06 | H062 | H061 | 118.5° | 119.7° |
| C05 | C04 | O03 | H042 | 120.1° | 119.9° |
| C05 | C04 | O03 | H041 | 120.1° | 120.1° |
| C05 | C04 | O03 | C02 | 154.9° | 180.0° |
| C05 | C04 | H042 | H041 | 119.6° | 120.1° |
| C04 | C05 | C06 | H062 | 63.0° | 70.0° |
| C04 | C05 | C06 | H061 | 56.0° | 49.7° |
| C33 | C32 | H322 | H321 | 120.7° | 122.7° |
| C32 | C33 | H331 | H332 | 120.9° | 123.0° |
| C04 | O03 | C02 | C01 | 177.0° | 180.0° |
| C04 | O03 | C02 | H021 | 63.0° | 60.0° |
| C04 | O03 | C02 | H022 | 57.0° | 60.1° |
| O03 | C04 | H042 | H041 | 119.6° | 120.0° |
| O03 | C04 | C05 | H051 | 179.0° | 177.3° |
| O03 | C02 | C01 | H021 | 120.0° | 120.0° |
| O03 | C02 | C01 | H022 | 120.0° | 120.0° |
| O03 | C02 | C01 | H011 | 180.0° | 60.0° |
| O03 | C02 | C01 | H012 | 60.0° | 60.0° |
| O03 | C02 | C01 | H013 | 60.0° | 180.0° |
| O03 | C02 | H021 | H022 | 120.0° | 120.0° |
| C02 | O03 | C04 | H042 | 34.8° | 60.1° |
| C02 | O03 | C04 | H041 | 84.9° | 60.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 119.9° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 120.0° | 120.0° |
| H151 | C15 | C16 | H161 | 0.1° | 0.1° |
| H171 | C17 | C16 | H161 | 0.2° | 0.0° |
| H241 | C24 | C25 | H251 | 0.2° | 0.2° |
| H281 | C28 | C29 | H291 | 0.2° | 0.8° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 60.0° | 60.0° |
| H011 | C01 | C02 | H022 | 60.0° | 180.0° |
| H012 | C01 | C02 | H021 | 180.0° | 180.0° |
| H012 | C01 | C02 | H022 | 60.0° | 60.0° |
| H013 | C01 | C02 | H021 | 60.0° | 60.0° |
| H013 | C01 | C02 | H022 | 180.0° | 60.0° |
| H042 | C04 | C05 | H051 | 58.8° | 57.4° |
| H041 | C04 | C05 | H051 | 60.9° | 62.7° |
| H051 | C05 | C06 | H062 | 175.5° | 50.6° |
| H051 | C05 | C06 | H061 | 56.5° | 170.3° |
| H322 | C32 | C33 | H331 | 120.4° | 123.0° |
| H322 | C32 | C33 | H332 | 0.2° | 0.1° |
| H321 | C32 | C33 | H331 | 0.1° | 0.3° |
| H321 | C32 | C33 | H332 | 120.7° | 122.6° |
