A1EZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C04 | C11 | sing | 1.53Å | 1.53Å | |
| C04 | N03 | sing | 1.47Å | 1.45Å | |
| N03 | C02 | sing | 1.35Å | 1.46Å | |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| C02 | C13 | sing | 1.47Å | 1.54Å | |
| C13 | C39 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.41Å | 1.39Å | Aromatic |
| C39 | N38 | sing | 1.32Å | 1.32Å | Aromatic |
| N15 | C14 | sing | 1.38Å | 1.46Å | |
| N15 | C16 | sing | 1.47Å | 1.48Å | |
| C14 | N28 | doub | 1.33Å | 1.31Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| N38 | C29 | doub | 1.33Å | 1.32Å | Aromatic |
| N28 | C29 | sing | 1.33Å | 1.33Å | Aromatic |
| C29 | N30 | sing | 1.38Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | N19 | sing | 1.47Å | 1.47Å | |
| N30 | C31 | sing | 1.40Å | 1.45Å | |
| C31 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| N19 | C20 | sing | 1.35Å | 1.45Å | |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | CL33 | sing | 1.74Å | 1.79Å | |
| C20 | S27 | doub | 1.71Å | 1.65Å | |
| C20 | N21 | sing | 1.35Å | 1.45Å | |
| N21 | C22 | sing | 1.47Å | 1.43Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C24 | O26 | doub | 1.21Å | 1.25Å | |
| C24 | O25 | sing | 1.34Å | 1.25Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| O25 | H1 | sing | 0.97Å | 0.95Å | |
| N30 | H301 | sing | 0.97Å | 1.00Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C07 | 119.4° | 120.0° |
| C08 | C09 | C10 | 120.4° | 120.0° |
| C09 | C08 | H081 | 120.3° | 120.0° |
| C08 | C09 | H091 | 119.8° | 120.0° |
| C08 | C07 | C06 | 120.2° | 120.0° |
| C08 | C07 | H071 | 119.9° | 120.0° |
| C07 | C08 | H081 | 120.3° | 120.0° |
| C09 | C10 | C05 | 120.4° | 120.0° |
| C10 | C09 | H091 | 119.8° | 120.0° |
| C09 | C10 | H101 | 119.8° | 120.0° |
| C07 | C06 | C05 | 121.0° | 120.0° |
| C07 | C06 | H061 | 119.5° | 120.0° |
| C06 | C07 | H071 | 119.9° | 120.0° |
| C10 | C05 | C06 | 118.6° | 120.0° |
| C10 | C05 | C04 | 122.3° | 120.0° |
| C05 | C10 | H101 | 119.8° | 120.0° |
| C06 | C05 | C04 | 119.1° | 120.0° |
| C05 | C06 | H061 | 119.6° | 120.0° |
| C05 | C04 | C11 | 113.4° | 109.5° |
| C05 | C04 | N03 | 107.1° | 109.5° |
| C05 | C04 | H041 | 108.7° | 109.5° |
| C12 | C11 | C04 | 110.9° | 109.4° |
| C12 | C11 | H111 | 109.1° | 109.5° |
| C12 | C11 | H112 | 109.1° | 109.4° |
| C11 | C12 | H122 | 109.5° | 109.5° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C11 | C12 | H123 | 109.5° | 109.5° |
| C11 | C04 | N03 | 108.7° | 109.5° |
| C11 | C04 | H041 | 108.9° | 109.5° |
| C04 | C11 | H111 | 109.1° | 109.5° |
| C04 | C11 | H112 | 109.1° | 109.5° |
| C04 | N03 | C02 | 121.7° | 120.0° |
| C04 | N03 | H031 | 119.2° | 120.0° |
| N03 | C04 | H041 | 109.9° | 109.4° |
| N03 | C02 | O01 | 118.9° | 120.0° |
| N03 | C02 | C13 | 120.8° | 120.0° |
| C02 | N03 | H031 | 119.1° | 120.0° |
| O01 | C02 | C13 | 120.3° | 120.0° |
| C02 | C13 | C39 | 119.9° | 120.9° |
| C02 | C13 | C14 | 120.8° | 120.9° |
| C39 | C13 | C14 | 119.3° | 118.2° |
| C13 | C39 | N38 | 119.3° | 119.1° |
| C13 | C39 | H391 | 120.4° | 120.4° |
| C13 | C14 | N15 | 122.6° | 120.6° |
| C13 | C14 | N28 | 117.5° | 118.8° |
| C39 | N38 | C29 | 119.8° | 121.2° |
| N38 | C39 | H391 | 120.3° | 120.5° |
| C14 | N15 | C16 | 120.3° | 120.0° |
| N15 | C14 | N28 | 119.9° | 120.6° |
| C14 | N15 | H151 | 106.7° | 120.0° |
| N15 | C16 | C17 | 111.0° | 109.5° |
| C16 | N15 | H151 | 106.7° | 120.0° |
| N15 | C16 | H161 | 109.1° | 109.5° |
| N15 | C16 | H162 | 109.1° | 109.5° |
| C14 | N28 | C29 | 122.0° | 120.8° |
| C16 | C17 | C18 | 114.0° | 109.5° |
| C17 | C16 | H161 | 109.1° | 109.5° |
| C17 | C16 | H162 | 109.1° | 109.4° |
| C16 | C17 | H172 | 108.4° | 109.5° |
| C16 | C17 | H171 | 108.3° | 109.4° |
| N38 | C29 | N28 | 122.1° | 122.0° |
| N38 | C29 | N30 | 119.0° | 119.0° |
| N28 | C29 | N30 | 118.9° | 119.0° |
| C29 | N30 | C31 | 118.7° | 120.0° |
| C29 | N30 | H301 | 120.6° | 120.0° |
| C17 | C18 | N19 | 108.8° | 109.4° |
| C18 | C17 | H172 | 108.3° | 109.5° |
| C18 | C17 | H171 | 108.3° | 109.5° |
| C17 | C18 | H182 | 109.6° | 109.5° |
| C17 | C18 | H181 | 109.6° | 109.5° |
| C36 | C37 | C31 | 119.4° | 119.9° |
| C37 | C36 | C35 | 120.1° | 120.1° |
| C37 | C36 | H361 | 120.0° | 119.9° |
| C36 | C37 | H371 | 120.3° | 120.0° |
| C37 | C31 | N30 | 120.6° | 120.0° |
| C37 | C31 | C32 | 120.8° | 119.9° |
| C31 | C37 | H371 | 120.3° | 120.1° |
| C36 | C35 | C34 | 120.1° | 120.2° |
| C36 | C35 | H351 | 119.9° | 119.9° |
| C35 | C36 | H361 | 119.9° | 120.0° |
| C18 | N19 | C20 | 124.8° | 120.0° |
| N19 | C18 | H182 | 109.7° | 109.5° |
| N19 | C18 | H181 | 109.6° | 109.5° |
| C18 | N19 | H191 | 117.6° | 120.0° |
| N30 | C31 | C32 | 118.7° | 120.1° |
| C31 | N30 | H301 | 120.6° | 120.0° |
| C31 | C32 | C34 | 119.0° | 119.9° |
| C31 | C32 | CL33 | 120.1° | 120.1° |
| N19 | C20 | S27 | 121.0° | 120.1° |
| N19 | C20 | N21 | 114.0° | 120.0° |
| C20 | N19 | H191 | 117.6° | 120.0° |
| C35 | C34 | C32 | 120.6° | 120.1° |
| C35 | C34 | H341 | 119.7° | 120.0° |
| C34 | C35 | H351 | 119.9° | 119.9° |
| C34 | C32 | CL33 | 120.9° | 120.1° |
| C32 | C34 | H341 | 119.7° | 119.9° |
| S27 | C20 | N21 | 125.0° | 120.0° |
| C20 | N21 | C22 | 121.8° | 120.0° |
| C20 | N21 | H211 | 119.1° | 120.1° |
| N21 | C22 | C23 | 106.6° | 109.5° |
| C22 | N21 | H211 | 119.1° | 120.0° |
| N21 | C22 | H221 | 110.2° | 109.5° |
| N21 | C22 | H222 | 110.2° | 109.5° |
| C22 | C23 | C24 | 106.7° | 109.5° |
| C23 | C22 | H221 | 110.2° | 109.5° |
| C23 | C22 | H222 | 110.2° | 109.4° |
| C22 | C23 | H231 | 110.2° | 109.5° |
| C22 | C23 | H232 | 110.2° | 109.4° |
| C23 | C24 | O26 | 121.8° | 120.0° |
| C23 | C24 | O25 | 118.7° | 120.0° |
| C24 | C23 | H231 | 110.2° | 109.5° |
| C24 | C23 | H232 | 110.2° | 109.5° |
| O26 | C24 | O25 | 119.6° | 120.0° |
| C24 | O25 | H1 | 109.5° | 117.0° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.4° |
| H122 | C12 | H123 | 109.5° | 109.4° |
| H121 | C12 | H123 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C07 | H081 | 180.0° | 179.7° |
| C08 | C09 | C10 | H091 | 180.0° | 179.7° |
| C09 | C08 | C07 | C06 | 0.8° | 0.1° |
| C08 | C09 | C10 | C05 | 0.1° | 0.6° |
| C09 | C08 | C07 | H071 | 179.2° | 180.0° |
| C08 | C09 | C10 | H101 | 179.9° | 179.9° |
| C07 | C08 | C09 | C10 | 1.1° | 0.3° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.4° | 0.1° |
| C08 | C07 | C06 | H061 | 179.6° | 180.0° |
| C07 | C08 | C09 | H091 | 178.9° | 179.9° |
| C09 | C10 | C05 | H101 | 180.0° | 179.5° |
| C09 | C10 | C05 | C06 | 1.1° | 0.6° |
| C09 | C10 | C05 | C04 | 179.1° | 179.7° |
| C10 | C09 | C08 | H081 | 178.9° | 180.0° |
| C07 | C06 | C05 | C10 | 1.4° | 0.3° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 179.5° | 179.9° |
| C06 | C07 | C08 | H081 | 179.2° | 179.8° |
| C10 | C05 | C06 | C04 | 178.1° | 179.7° |
| C10 | C05 | C04 | C11 | 9.2° | 79.7° |
| C10 | C05 | C04 | N03 | 110.7° | 40.3° |
| C10 | C05 | C04 | H041 | 130.5° | 160.2° |
| C10 | C05 | C06 | H061 | 178.6° | 179.7° |
| C05 | C10 | C09 | H091 | 179.9° | 179.7° |
| C06 | C05 | C04 | C11 | 172.8° | 100.0° |
| C06 | C05 | C04 | N03 | 67.3° | 140.0° |
| C06 | C05 | C04 | H041 | 51.5° | 20.0° |
| C05 | C06 | C07 | H071 | 179.6° | 180.0° |
| C06 | C05 | C10 | H101 | 178.9° | 179.9° |
| C05 | C04 | C11 | C12 | 69.4° | 175.0° |
| C05 | C04 | C11 | N03 | 119.0° | 120.0° |
| C05 | C04 | C11 | H041 | 121.2° | 120.0° |
| C05 | C04 | N03 | H041 | 118.0° | 120.0° |
| C05 | C04 | N03 | C02 | 154.3° | 155.0° |
| C05 | C04 | N03 | H031 | 25.7° | 25.0° |
| C04 | C05 | C06 | H061 | 0.5° | 0.0° |
| C04 | C05 | C10 | H101 | 0.9° | 0.2° |
| C05 | C04 | C11 | H111 | 50.8° | 65.0° |
| C05 | C04 | C11 | H112 | 170.4° | 55.0° |
| C12 | C11 | C04 | H111 | 120.2° | 120.0° |
| C12 | C11 | C04 | H112 | 120.2° | 119.9° |
| C12 | C11 | C04 | N03 | 171.6° | 65.0° |
| C12 | C11 | C04 | H041 | 51.8° | 54.9° |
| C12 | C11 | H111 | H112 | 119.4° | 120.0° |
| C11 | C12 | H122 | H121 | 120.0° | 120.0° |
| C11 | C12 | H122 | H123 | 120.0° | 120.0° |
| C11 | C12 | H121 | H123 | 120.0° | 120.0° |
| C11 | C04 | N03 | H041 | 119.1° | 120.1° |
| C11 | C04 | N03 | C02 | 82.9° | 85.0° |
| C11 | C04 | N03 | H031 | 97.1° | 94.9° |
| C04 | C11 | H111 | H112 | 119.4° | 120.0° |
| C04 | C11 | C12 | H122 | 180.0° | 60.0° |
| C04 | C11 | C12 | H121 | 60.0° | 60.0° |
| C04 | C11 | C12 | H123 | 60.0° | 179.9° |
| C04 | N03 | C02 | H031 | 180.0° | 179.9° |
| C04 | N03 | C02 | O01 | 0.9° | 0.0° |
| C04 | N03 | C02 | C13 | 179.3° | 179.7° |
| N03 | C04 | C11 | H111 | 68.2° | 55.0° |
| N03 | C04 | C11 | H112 | 51.4° | 175.0° |
| N03 | C02 | O01 | C13 | 178.4° | 179.7° |
| N03 | C02 | C13 | C39 | 9.1° | 5.4° |
| N03 | C02 | C13 | C14 | 172.4° | 174.9° |
| C02 | N03 | C04 | H041 | 36.3° | 35.0° |
| O01 | C02 | C13 | C39 | 169.3° | 174.8° |
| O01 | C02 | C13 | C14 | 9.2° | 4.9° |
| O01 | C02 | N03 | H031 | 179.1° | 180.0° |
| C02 | C13 | C39 | C14 | 178.5° | 179.7° |
| C02 | C13 | C39 | N38 | 179.2° | 179.7° |
| C02 | C13 | C14 | N15 | 1.8° | 0.0° |
| C02 | C13 | C14 | N28 | 178.6° | 180.0° |
| C13 | C02 | N03 | H031 | 0.7° | 0.2° |
| C02 | C13 | C39 | H391 | 0.8° | 0.0° |
| C13 | C39 | N38 | H391 | 180.0° | 179.7° |
| C39 | C13 | C14 | N15 | 179.7° | 179.7° |
| C39 | C13 | C14 | N28 | 0.1° | 0.3° |
| C13 | C39 | N38 | C29 | 0.1° | 0.6° |
| C14 | C13 | C39 | N38 | 0.7° | 0.6° |
| C13 | C14 | N15 | N28 | 179.6° | 180.0° |
| C13 | C14 | N15 | C16 | 126.3° | 174.9° |
| C13 | C14 | N28 | C29 | 1.1° | 0.0° |
| C13 | C14 | N15 | H151 | 112.3° | 5.2° |
| C14 | C13 | C39 | H391 | 179.3° | 179.7° |
| C39 | N38 | C29 | N28 | 1.2° | 0.3° |
| C39 | N38 | C29 | N30 | 179.5° | 179.7° |
| C14 | N15 | C16 | H151 | 121.5° | 179.9° |
| C14 | N15 | C16 | C17 | 97.1° | 180.0° |
| N15 | C14 | N28 | C29 | 178.5° | 180.0° |
| C14 | N15 | C16 | H161 | 142.7° | 60.0° |
| C14 | N15 | C16 | H162 | 23.2° | 60.1° |
| C16 | N15 | C14 | N28 | 53.3° | 5.1° |
| N15 | C16 | C17 | H161 | 120.2° | 120.0° |
| N15 | C16 | C17 | H162 | 120.2° | 120.0° |
| N15 | C16 | C17 | C18 | 111.1° | 180.0° |
| N15 | C16 | H161 | H162 | 119.3° | 120.0° |
| N15 | C16 | C17 | H172 | 9.6° | 59.9° |
| N15 | C16 | C17 | H171 | 128.3° | 60.0° |
| C14 | N28 | C29 | N38 | 1.9° | 0.0° |
| C14 | N28 | C29 | N30 | 178.8° | 180.0° |
| N28 | C14 | N15 | H151 | 68.2° | 174.9° |
| C16 | C17 | C18 | H172 | 120.7° | 120.0° |
| C16 | C17 | C18 | H171 | 120.6° | 119.9° |
| C16 | C17 | C18 | N19 | 83.0° | 180.0° |
| C17 | C16 | N15 | H151 | 24.4° | 0.0° |
| C17 | C16 | H161 | H162 | 119.3° | 120.0° |
| C16 | C17 | H172 | H171 | 117.9° | 119.9° |
| C16 | C17 | C18 | H182 | 157.1° | 60.0° |
| C16 | C17 | C18 | H181 | 36.8° | 60.1° |
| N38 | C29 | N28 | N30 | 179.3° | 180.0° |
| N38 | C29 | N30 | C31 | 0.7° | 6.0° |
| N38 | C29 | N30 | H301 | 179.3° | 174.1° |
| C29 | N38 | C39 | H391 | 179.9° | 179.7° |
| N28 | C29 | N30 | C31 | 179.9° | 174.0° |
| N28 | C29 | N30 | H301 | 0.1° | 5.9° |
| C29 | N30 | C31 | C37 | 77.3° | 25.0° |
| C29 | N30 | C31 | H301 | 180.0° | 179.9° |
| C29 | N30 | C31 | C32 | 102.8° | 154.7° |
| C17 | C18 | N19 | H182 | 119.9° | 120.0° |
| C17 | C18 | N19 | H181 | 119.9° | 120.0° |
| C17 | C18 | N19 | C20 | 132.9° | 180.0° |
| C18 | C17 | C16 | H161 | 128.7° | 60.0° |
| C18 | C17 | C16 | H162 | 9.1° | 60.0° |
| C18 | C17 | H172 | H171 | 117.9° | 120.0° |
| C17 | C18 | H182 | H181 | 120.3° | 120.0° |
| C17 | C18 | N19 | H191 | 47.1° | 0.0° |
| C36 | C37 | C31 | H371 | 180.0° | 179.4° |
| C37 | C36 | C35 | H361 | 180.0° | 179.8° |
| C36 | C37 | C31 | N30 | 179.8° | 179.8° |
| C36 | C37 | C31 | C32 | 0.1° | 0.6° |
| C37 | C36 | C35 | C34 | 0.4° | 0.2° |
| C37 | C36 | C35 | H351 | 179.5° | 179.8° |
| C31 | C37 | C36 | C35 | 0.4° | 0.5° |
| C37 | C31 | N30 | C32 | 179.9° | 179.6° |
| C37 | C31 | C32 | C34 | 0.2° | 0.3° |
| C37 | C31 | C32 | CL33 | 178.7° | 179.7° |
| C37 | C31 | N30 | H301 | 102.7° | 155.0° |
| C31 | C37 | C36 | H361 | 179.6° | 179.7° |
| C36 | C35 | C34 | H351 | 180.0° | 180.0° |
| C36 | C35 | C34 | C32 | 0.1° | 0.0° |
| C36 | C35 | C34 | H341 | 179.9° | 180.0° |
| C35 | C36 | C37 | H371 | 179.6° | 180.0° |
| C18 | N19 | C20 | H191 | 180.0° | 180.0° |
| C18 | N19 | C20 | S27 | 179.9° | 0.0° |
| C18 | N19 | C20 | N21 | 0.5° | 180.0° |
| N19 | C18 | C17 | H172 | 37.7° | 60.0° |
| N19 | C18 | C17 | H171 | 156.3° | 60.0° |
| N19 | C18 | H182 | H181 | 120.3° | 120.0° |
| N30 | C31 | C32 | C34 | 179.9° | 179.9° |
| N30 | C31 | C32 | CL33 | 1.2° | 0.0° |
| N30 | C31 | C37 | H371 | 0.2° | 0.4° |
| C31 | C32 | C34 | C35 | 0.3° | 0.0° |
| C31 | C32 | C34 | CL33 | 179.0° | 180.0° |
| C32 | C31 | N30 | H301 | 77.2° | 25.4° |
| C31 | C32 | C34 | H341 | 179.7° | 180.0° |
| C32 | C31 | C37 | H371 | 179.9° | 180.0° |
| N19 | C20 | S27 | N21 | 179.6° | 180.0° |
| N19 | C20 | N21 | C22 | 179.9° | 180.0° |
| C20 | N19 | C18 | H182 | 13.1° | 60.0° |
| C20 | N19 | C18 | H181 | 107.2° | 60.0° |
| N19 | C20 | N21 | H211 | 0.1° | 0.0° |
| C35 | C34 | C32 | H341 | 180.0° | 180.0° |
| C35 | C34 | C32 | CL33 | 178.7° | 180.0° |
| C34 | C35 | C36 | H361 | 179.6° | 180.0° |
| C32 | C34 | C35 | H351 | 179.9° | 180.0° |
| CL33 | C32 | C34 | H341 | 1.3° | 0.1° |
| S27 | C20 | N21 | C22 | 0.3° | 0.0° |
| S27 | C20 | N19 | H191 | 0.1° | 180.0° |
| S27 | C20 | N21 | H211 | 179.7° | 180.0° |
| C20 | N21 | C22 | H211 | 180.0° | 179.9° |
| C20 | N21 | C22 | C23 | 107.9° | 180.0° |
| N21 | C20 | N19 | H191 | 179.5° | 0.1° |
| C20 | N21 | C22 | H221 | 11.6° | 60.0° |
| C20 | N21 | C22 | H222 | 132.5° | 60.1° |
| N21 | C22 | C23 | H221 | 119.6° | 120.1° |
| N21 | C22 | C23 | H222 | 119.6° | 120.0° |
| N21 | C22 | C23 | C24 | 178.8° | 180.0° |
| N21 | C22 | H221 | H222 | 121.3° | 120.1° |
| N21 | C22 | C23 | H231 | 59.3° | 59.9° |
| N21 | C22 | C23 | H232 | 61.6° | 60.0° |
| C22 | C23 | C24 | H231 | 119.5° | 120.0° |
| C22 | C23 | C24 | H232 | 119.6° | 119.9° |
| C22 | C23 | C24 | O26 | 173.8° | 0.0° |
| C22 | C23 | C24 | O25 | 7.7° | 179.9° |
| C23 | C22 | N21 | H211 | 72.0° | 0.1° |
| C23 | C22 | H221 | H222 | 121.3° | 119.9° |
| C22 | C23 | H231 | H232 | 121.3° | 119.9° |
| C23 | C24 | O26 | O25 | 178.5° | 180.0° |
| C24 | C23 | C22 | H221 | 61.6° | 60.0° |
| C24 | C23 | C22 | H222 | 59.3° | 60.0° |
| C24 | C23 | H231 | H232 | 121.3° | 120.1° |
| C23 | C24 | O25 | H1 | 178.5° | 180.0° |
| O26 | C24 | C23 | H231 | 66.7° | 120.0° |
| O26 | C24 | C23 | H232 | 54.2° | 119.9° |
| O26 | C24 | O25 | H1 | 0.0° | 0.1° |
| O25 | C24 | C23 | H231 | 111.8° | 60.0° |
| O25 | C24 | C23 | H232 | 127.3° | 60.0° |
| H031 | N03 | C04 | H041 | 143.7° | 145.0° |
| H041 | C04 | C11 | H111 | 172.0° | 175.0° |
| H041 | C04 | C11 | H112 | 68.4° | 65.0° |
| H061 | C06 | C07 | H071 | 0.4° | 0.1° |
| H071 | C07 | C08 | H081 | 0.8° | 0.3° |
| H081 | C08 | C09 | H091 | 1.1° | 0.3° |
| H091 | C09 | C10 | H101 | 0.1° | 0.2° |
| H111 | C11 | C12 | H122 | 59.8° | 180.0° |
| H111 | C11 | C12 | H121 | 60.2° | 60.0° |
| H111 | C11 | C12 | H123 | 179.8° | 60.0° |
| H112 | C11 | C12 | H122 | 59.8° | 60.0° |
| H112 | C11 | C12 | H121 | 179.8° | 180.0° |
| H112 | C11 | C12 | H123 | 60.2° | 60.0° |
| H122 | C12 | H121 | H123 | 120.0° | 119.9° |
| H151 | N15 | C16 | H161 | 95.8° | 120.0° |
| H151 | N15 | C16 | H162 | 144.7° | 120.0° |
| H161 | C16 | C17 | H172 | 110.6° | 179.9° |
| H161 | C16 | C17 | H171 | 8.0° | 60.0° |
| H162 | C16 | C17 | H172 | 129.8° | 60.0° |
| H162 | C16 | C17 | H171 | 111.5° | NaN° |
| H172 | C17 | C18 | H182 | 82.2° | 180.0° |
| H172 | C17 | C18 | H181 | 157.5° | 60.0° |
| H171 | C17 | C18 | H182 | 36.4° | 60.0° |
| H171 | C17 | C18 | H181 | 83.8° | 180.0° |
| H182 | C18 | N19 | H191 | 166.9° | 120.0° |
| H181 | C18 | N19 | H191 | 72.8° | 120.0° |
| H211 | N21 | C22 | H221 | 168.4° | 119.9° |
| H211 | N21 | C22 | H222 | 47.5° | 120.0° |
| H221 | C22 | C23 | H231 | 178.8° | 180.0° |
| H221 | C22 | C23 | H232 | 58.0° | 60.0° |
| H222 | C22 | C23 | H231 | 60.3° | 60.0° |
| H222 | C22 | C23 | H232 | 178.8° | 180.0° |
| H341 | C34 | C35 | H351 | 0.1° | 0.0° |
| H351 | C35 | C36 | H361 | 0.5° | 0.0° |
| H361 | C36 | C37 | H371 | 0.4° | 0.3° |
