A1AWB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| C04 | N03 | sing | 1.47Å | 1.42Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C12 | C04 | sing | 1.51Å | 1.51Å | |
| O13 | C12 | doub | 1.21Å | 1.20Å | |
| N14 | C12 | sing | 1.35Å | 1.43Å | |
| C15 | N14 | sing | 1.46Å | 1.44Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C18 | C17 | doub | 1.36Å | 1.37Å | |
| C19 | C18 | sing | 1.40Å | 1.39Å | |
| C20 | C19 | doub | 1.35Å | 1.38Å | |
| N21 | C20 | sing | 1.36Å | 1.34Å | |
| C22 | N21 | sing | 1.35Å | 1.32Å | |
| O23 | C22 | doub | 1.22Å | 1.21Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C24 | C15 | sing | 1.53Å | 1.56Å | |
| O25 | C24 | sing | 1.43Å | 1.42Å | |
| N03 | C02 | sing | 1.35Å | 1.43Å | |
| C26 | C02 | sing | 1.47Å | 1.52Å | |
| C27 | C26 | doub | 1.36Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.42Å | 1.43Å | Aromatic |
| C29 | C28 | doub | 1.40Å | 1.41Å | Aromatic |
| C30 | C29 | sing | 1.37Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | doub | 1.39Å | 1.41Å | Aromatic |
| N34 | C33 | sing | 1.37Å | 1.36Å | Aromatic |
| C06 | C11 | sing | 1.53Å | 1.52Å | |
| C17 | C22 | sing | 1.41Å | 1.39Å | |
| C26 | N34 | sing | 1.38Å | 1.33Å | Aromatic |
| C28 | C33 | sing | 1.41Å | 1.37Å | Aromatic |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | 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 | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N34 | H341 | sing | 0.97Å | 1.00Å | |
| O25 | H251 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 118.9° | 120.0° |
| O01 | C02 | C26 | 124.1° | 120.0° |
| N03 | C04 | C05 | 108.3° | 109.5° |
| N03 | C04 | C12 | 108.0° | 109.4° |
| C04 | N03 | C02 | 119.1° | 120.0° |
| N03 | C04 | H041 | 110.5° | 109.5° |
| C04 | N03 | H031 | 120.5° | 120.0° |
| C05 | C06 | C07 | 105.6° | 109.5° |
| C06 | C05 | C04 | 115.3° | 109.5° |
| C05 | C06 | C11 | 113.6° | 109.5° |
| C06 | C05 | H052 | 108.0° | 109.5° |
| C06 | C05 | H051 | 108.0° | 109.4° |
| C05 | C06 | H061 | 109.1° | 109.4° |
| C06 | C07 | C08 | 112.4° | 109.4° |
| C07 | C06 | C11 | 110.1° | 109.5° |
| C07 | C06 | H061 | 109.1° | 109.5° |
| C06 | C07 | H072 | 108.7° | 109.4° |
| C06 | C07 | H071 | 108.8° | 109.4° |
| C07 | C08 | C09 | 112.4° | 109.5° |
| C08 | C07 | H072 | 108.7° | 109.4° |
| C08 | C07 | H071 | 108.7° | 109.5° |
| C07 | C08 | H081 | 108.7° | 109.5° |
| C07 | C08 | H082 | 108.7° | 109.4° |
| C08 | C09 | C10 | 113.6° | 109.5° |
| C09 | C08 | H081 | 108.7° | 109.5° |
| C09 | C08 | H082 | 108.7° | 109.4° |
| C08 | C09 | H091 | 108.4° | 109.5° |
| C08 | C09 | H092 | 108.5° | 109.5° |
| C09 | C10 | C11 | 110.2° | 109.5° |
| C09 | C10 | H101 | 109.3° | 109.5° |
| C09 | C10 | H102 | 109.3° | 109.5° |
| C10 | C09 | H091 | 108.4° | 109.5° |
| C10 | C09 | H092 | 108.4° | 109.4° |
| C10 | C11 | C06 | 107.8° | 109.5° |
| C11 | C10 | H101 | 109.3° | 109.4° |
| C11 | C10 | H102 | 109.3° | 109.4° |
| C10 | C11 | H111 | 109.9° | 109.4° |
| C10 | C11 | H112 | 109.9° | 109.4° |
| C05 | C04 | C12 | 111.8° | 109.5° |
| C05 | C04 | H041 | 108.9° | 109.5° |
| C04 | C05 | H052 | 108.0° | 109.5° |
| C04 | C05 | H051 | 108.0° | 109.5° |
| C04 | C12 | O13 | 123.9° | 120.0° |
| C04 | C12 | N14 | 113.9° | 120.0° |
| C12 | C04 | H041 | 109.4° | 109.5° |
| O13 | C12 | N14 | 122.2° | 120.0° |
| C12 | N14 | C15 | 121.9° | 120.0° |
| C12 | N14 | H141 | 119.1° | 120.0° |
| N14 | C15 | C16 | 107.2° | 109.5° |
| N14 | C15 | C24 | 107.1° | 109.5° |
| N14 | C15 | H151 | 111.2° | 109.4° |
| C15 | N14 | H141 | 119.0° | 120.0° |
| C16 | C17 | C18 | 122.7° | 120.3° |
| C17 | C16 | C15 | 115.5° | 109.5° |
| C16 | C17 | C22 | 117.8° | 120.3° |
| C17 | C16 | H161 | 107.9° | 109.4° |
| C17 | C16 | H162 | 107.9° | 109.5° |
| C17 | C18 | C19 | 119.3° | 119.3° |
| C18 | C17 | C22 | 119.4° | 119.3° |
| C17 | C18 | H181 | 120.4° | 120.4° |
| C18 | C19 | C20 | 119.3° | 119.9° |
| C19 | C18 | H181 | 120.3° | 120.4° |
| C18 | C19 | H191 | 120.3° | 120.1° |
| C19 | C20 | N21 | 119.4° | 120.7° |
| C19 | C20 | H201 | 120.3° | 119.7° |
| C20 | C19 | H191 | 120.4° | 120.0° |
| C20 | N21 | C22 | 122.9° | 120.7° |
| N21 | C20 | H201 | 120.3° | 119.6° |
| C20 | N21 | H211 | 118.5° | 119.6° |
| N21 | C22 | O23 | 119.6° | 120.0° |
| N21 | C22 | C17 | 119.6° | 120.0° |
| C22 | N21 | H211 | 118.5° | 119.6° |
| O23 | C22 | C17 | 120.8° | 120.0° |
| C16 | C15 | C24 | 111.9° | 109.4° |
| C16 | C15 | H151 | 109.9° | 109.4° |
| C15 | C16 | H161 | 107.9° | 109.5° |
| C15 | C16 | H162 | 107.9° | 109.5° |
| C15 | C24 | O25 | 107.6° | 109.5° |
| C24 | C15 | H151 | 109.6° | 109.5° |
| C15 | C24 | H241 | 109.9° | 109.4° |
| C15 | C24 | H1 | 109.9° | 109.5° |
| O25 | C24 | H241 | 109.9° | 109.5° |
| O25 | C24 | H1 | 109.9° | 109.5° |
| C24 | O25 | H251 | 109.5° | 114.1° |
| N03 | C02 | C26 | 117.0° | 120.0° |
| C02 | N03 | H031 | 120.4° | 120.0° |
| C02 | C26 | C27 | 126.3° | 125.4° |
| C02 | C26 | N34 | 123.2° | 125.5° |
| C26 | C27 | C28 | 105.2° | 107.7° |
| C27 | C26 | N34 | 110.4° | 109.1° |
| C26 | C27 | H271 | 127.4° | 126.1° |
| C27 | C28 | C29 | 134.0° | 133.3° |
| C27 | C28 | C33 | 106.2° | 107.0° |
| C28 | C27 | H271 | 127.4° | 126.2° |
| C28 | C29 | C30 | 119.6° | 119.8° |
| C29 | C28 | C33 | 119.8° | 119.7° |
| C28 | C29 | H291 | 120.2° | 120.1° |
| C29 | C30 | C31 | 120.1° | 120.6° |
| C30 | C29 | H291 | 120.2° | 120.1° |
| C29 | C30 | H301 | 119.9° | 119.7° |
| C30 | C31 | C32 | 120.6° | 120.7° |
| C31 | C30 | H301 | 120.0° | 119.7° |
| C30 | C31 | H311 | 119.7° | 119.7° |
| C31 | C32 | C33 | 119.2° | 119.8° |
| C32 | C31 | H311 | 119.7° | 119.6° |
| C31 | C32 | H321 | 120.4° | 120.1° |
| C32 | C33 | N34 | 129.2° | 133.2° |
| C32 | C33 | C28 | 120.7° | 119.4° |
| C33 | C32 | H321 | 120.4° | 120.1° |
| C33 | N34 | C26 | 108.1° | 108.8° |
| N34 | C33 | C28 | 110.1° | 107.4° |
| C33 | N34 | H341 | 126.0° | 125.6° |
| C11 | C06 | H061 | 109.2° | 109.5° |
| C06 | C11 | H111 | 109.9° | 109.5° |
| C06 | C11 | H112 | 109.9° | 109.5° |
| C26 | N34 | H341 | 125.9° | 125.6° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H241 | C24 | H1 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C04 | 1.0° | 4.9° |
| O01 | C02 | N03 | C26 | 179.7° | 179.9° |
| O01 | C02 | C26 | C27 | 179.6° | 0.2° |
| O01 | C02 | C26 | N34 | 1.4° | 180.0° |
| O01 | C02 | N03 | H031 | 179.0° | 175.0° |
| N03 | C04 | C05 | C06 | 66.8° | 174.7° |
| N03 | C04 | C05 | C12 | 118.8° | 120.0° |
| N03 | C04 | C05 | H041 | 120.2° | 120.0° |
| N03 | C04 | C12 | H041 | 120.3° | 120.0° |
| N03 | C04 | C12 | O13 | 44.5° | 19.1° |
| N03 | C04 | C12 | N14 | 133.3° | 160.9° |
| C04 | N03 | C02 | H031 | 180.0° | 179.9° |
| C04 | N03 | C02 | C26 | 178.7° | 175.0° |
| N03 | C04 | C05 | H052 | 172.3° | 54.7° |
| N03 | C04 | C05 | H051 | 54.0° | 65.3° |
| C05 | C06 | C07 | C11 | 123.0° | 120.0° |
| C05 | C06 | C07 | H061 | 117.1° | 120.0° |
| C05 | C06 | C07 | C08 | 179.8° | 180.0° |
| C05 | C06 | C11 | C10 | 178.7° | NaN° |
| C06 | C05 | C04 | H052 | 120.8° | 120.0° |
| C06 | C05 | C04 | H051 | 120.8° | 120.0° |
| C06 | C05 | C04 | C12 | 174.4° | 65.3° |
| C05 | C06 | C11 | H061 | 122.0° | 119.9° |
| C06 | C05 | C04 | H041 | 53.4° | 54.7° |
| C06 | C05 | H052 | H051 | 117.3° | 119.9° |
| C05 | C06 | C07 | H072 | 59.4° | 60.0° |
| C05 | C06 | C07 | H071 | 59.8° | 60.0° |
| C05 | C06 | C11 | H111 | 58.9° | 60.0° |
| C05 | C06 | C11 | H112 | 61.6° | 60.1° |
| C06 | C07 | C08 | H072 | 120.4° | 119.9° |
| C06 | C07 | C08 | H071 | 120.4° | 120.0° |
| C06 | C07 | C08 | C09 | 48.1° | 60.0° |
| C07 | C06 | C11 | C10 | 63.2° | 60.0° |
| C07 | C06 | C05 | C04 | 175.2° | 66.7° |
| C07 | C06 | C11 | H061 | 119.8° | 120.0° |
| C07 | C06 | C05 | H052 | 54.3° | 53.3° |
| C07 | C06 | C05 | H051 | 64.0° | 173.3° |
| C06 | C07 | H072 | H071 | 118.7° | 120.0° |
| C06 | C07 | C08 | H081 | 72.3° | 60.0° |
| C06 | C07 | C08 | H082 | 168.6° | 180.0° |
| C07 | C06 | C11 | H111 | 177.1° | 180.0° |
| C07 | C06 | C11 | H112 | 56.6° | 60.0° |
| C07 | C08 | C09 | H081 | 120.4° | 120.0° |
| C07 | C08 | C09 | H082 | 120.4° | 119.9° |
| C07 | C08 | C09 | C10 | 46.9° | 60.0° |
| C08 | C07 | C06 | C11 | 57.2° | 60.0° |
| C08 | C07 | C06 | H061 | 62.7° | 60.0° |
| C08 | C07 | H072 | H071 | 118.7° | 120.1° |
| C07 | C08 | H081 | H082 | 118.6° | 120.0° |
| C07 | C08 | C09 | H091 | 167.5° | 60.0° |
| C07 | C08 | C09 | H092 | 73.7° | 180.0° |
| C08 | C09 | C10 | H091 | 120.6° | 120.0° |
| C08 | C09 | C10 | H092 | 120.6° | 120.0° |
| C08 | C09 | C10 | C11 | 54.1° | 60.0° |
| C08 | C09 | C10 | H101 | 66.0° | 60.0° |
| C08 | C09 | C10 | H102 | 174.2° | 180.0° |
| C09 | C08 | C07 | H072 | 168.5° | 180.0° |
| C09 | C08 | C07 | H071 | 72.3° | 60.0° |
| C09 | C08 | H081 | H082 | 118.7° | 120.0° |
| C08 | C09 | H091 | H092 | 118.2° | 120.0° |
| C09 | C10 | C11 | H101 | 120.1° | 120.0° |
| C09 | C10 | C11 | H102 | 120.1° | 120.0° |
| C09 | C10 | C11 | C06 | 61.3° | 60.0° |
| C09 | C10 | H101 | H102 | 119.7° | 120.1° |
| C10 | C09 | C08 | H081 | 73.5° | 60.0° |
| C10 | C09 | C08 | H082 | 167.4° | 180.0° |
| C10 | C09 | H091 | H092 | 118.1° | 119.9° |
| C09 | C10 | C11 | H111 | 178.9° | 180.0° |
| C09 | C10 | C11 | H112 | 58.4° | 60.0° |
| C10 | C11 | C06 | H111 | 119.7° | 120.0° |
| C10 | C11 | C06 | H112 | 119.7° | 119.9° |
| C11 | C10 | H101 | H102 | 119.6° | 120.0° |
| C10 | C11 | C06 | H061 | 56.6° | 60.1° |
| C11 | C10 | C09 | H091 | 174.7° | 60.0° |
| C11 | C10 | C09 | H092 | 66.5° | 180.0° |
| C10 | C11 | H111 | H112 | 120.7° | 119.9° |
| C05 | C04 | C12 | H041 | 120.7° | 120.1° |
| C05 | C04 | C12 | O13 | 74.4° | 100.9° |
| C05 | C04 | C12 | N14 | 107.8° | 79.2° |
| C05 | C04 | N03 | C02 | 162.7° | 88.7° |
| C04 | C05 | C06 | C11 | 54.4° | 173.3° |
| C04 | C05 | H052 | H051 | 117.4° | 120.1° |
| C04 | C05 | C06 | H061 | 67.7° | 53.3° |
| C05 | C04 | N03 | H031 | 17.3° | 91.2° |
| C04 | C12 | O13 | N14 | 177.6° | 180.0° |
| C04 | C12 | N14 | C15 | 176.1° | 175.2° |
| C12 | C04 | N03 | C02 | 76.1° | 151.3° |
| C12 | C04 | C05 | H052 | 53.5° | 174.7° |
| C12 | C04 | C05 | H051 | 64.8° | 54.6° |
| C12 | C04 | N03 | H031 | 103.9° | 28.7° |
| C04 | C12 | N14 | H141 | 3.8° | 4.9° |
| O13 | C12 | N14 | C15 | 6.0° | 4.8° |
| O13 | C12 | C04 | H041 | 164.9° | 139.1° |
| O13 | C12 | N14 | H141 | 174.0° | 175.1° |
| C12 | N14 | C15 | H141 | 180.0° | 179.9° |
| C12 | N14 | C15 | C16 | 119.3° | 155.0° |
| C12 | N14 | C15 | C24 | 120.4° | 85.0° |
| C12 | N14 | C15 | H151 | 0.8° | 35.0° |
| N14 | C12 | C04 | H041 | 12.9° | 40.9° |
| N14 | C15 | C16 | C17 | 84.0° | 65.0° |
| N14 | C15 | C16 | C24 | 117.1° | 120.0° |
| N14 | C15 | C16 | H151 | 120.9° | 120.0° |
| N14 | C15 | C24 | H151 | 120.7° | 120.0° |
| N14 | C15 | C24 | O25 | 168.0° | 65.0° |
| N14 | C15 | C24 | H241 | 72.3° | 55.0° |
| N14 | C15 | C24 | H1 | 48.3° | 175.0° |
| N14 | C15 | C16 | H161 | 155.1° | 55.0° |
| N14 | C15 | C16 | H162 | 36.8° | 175.0° |
| C16 | C17 | C18 | C22 | 178.4° | 179.8° |
| C16 | C17 | C18 | C19 | 179.6° | 180.0° |
| C16 | C17 | C22 | N21 | 179.5° | 180.0° |
| C16 | C17 | C22 | O23 | 0.2° | 0.0° |
| C17 | C16 | C15 | H161 | 120.9° | 120.0° |
| C17 | C16 | C15 | H162 | 120.9° | 120.0° |
| C17 | C16 | C15 | C24 | 158.8° | 175.0° |
| C17 | C16 | C15 | H151 | 36.9° | 55.0° |
| C17 | C16 | H161 | H162 | 117.2° | 120.0° |
| C16 | C17 | C18 | H181 | 0.4° | 0.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C22 | N21 | 2.0° | 0.2° |
| C18 | C17 | C22 | O23 | 178.7° | 179.7° |
| C18 | C17 | C16 | C15 | 0.6° | 95.3° |
| C18 | C17 | C16 | H161 | 120.3° | 24.7° |
| C18 | C17 | C16 | H162 | 121.5° | 144.7° |
| C17 | C18 | C19 | H191 | 179.8° | 179.7° |
| C18 | C19 | C20 | H191 | 180.0° | 179.8° |
| C18 | C19 | C20 | N21 | 0.8° | 0.2° |
| C19 | C18 | C17 | C22 | 1.2° | 0.3° |
| C18 | C19 | C20 | H201 | 179.3° | 180.0° |
| C19 | C20 | N21 | H201 | 180.0° | 179.7° |
| C19 | C20 | N21 | C22 | 0.0° | 0.3° |
| C20 | C19 | C18 | H181 | 179.9° | 180.0° |
| C19 | C20 | N21 | H211 | 180.0° | 179.7° |
| C20 | N21 | C22 | H211 | 180.0° | 180.0° |
| C20 | N21 | C22 | O23 | 179.3° | 180.0° |
| C20 | N21 | C22 | C17 | 1.4° | 0.0° |
| N21 | C20 | C19 | H191 | 179.2° | 180.0° |
| N21 | C22 | O23 | C17 | 179.3° | 180.0° |
| C22 | N21 | C20 | H201 | 179.9° | 180.0° |
| O23 | C22 | N21 | H211 | 0.7° | 0.0° |
| C16 | C15 | C24 | H151 | 122.1° | 120.0° |
| C16 | C15 | C24 | O25 | 74.8° | 55.0° |
| C15 | C16 | C17 | C22 | 177.8° | 85.0° |
| C16 | C15 | C24 | H241 | 44.9° | 175.0° |
| C16 | C15 | C24 | H1 | 165.5° | 65.0° |
| C15 | C16 | H161 | H162 | 117.3° | 120.0° |
| C16 | C15 | N14 | H141 | 60.7° | 25.0° |
| C15 | C24 | O25 | H241 | 119.7° | 120.0° |
| C15 | C24 | O25 | H1 | 119.7° | 120.1° |
| C15 | C24 | H241 | H1 | 120.9° | 120.0° |
| C24 | C15 | C16 | H161 | 38.0° | 65.0° |
| C24 | C15 | C16 | H162 | 80.3° | 55.0° |
| C24 | C15 | N14 | H141 | 59.6° | 94.9° |
| C15 | C24 | O25 | H251 | 180.0° | 180.0° |
| O25 | C24 | C15 | H151 | 47.3° | 175.0° |
| O25 | C24 | H241 | H1 | 120.9° | 120.0° |
| N03 | C02 | C26 | C27 | 0.1° | 179.7° |
| N03 | C02 | C26 | N34 | 178.3° | 0.1° |
| C02 | N03 | C04 | H041 | 43.5° | 31.4° |
| C02 | C26 | C27 | N34 | 178.4° | 179.8° |
| C02 | C26 | C27 | C28 | 179.5° | 180.0° |
| C02 | C26 | N34 | C33 | 179.5° | 180.0° |
| C02 | C26 | C27 | H271 | 0.5° | 0.0° |
| C26 | C02 | N03 | H031 | 1.3° | 5.1° |
| C02 | C26 | N34 | H341 | 0.6° | 0.1° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 179.6° | 180.0° |
| C27 | C26 | N34 | C33 | 1.0° | 0.2° |
| C26 | C27 | C28 | C33 | 0.8° | 0.2° |
| C27 | C26 | N34 | H341 | 179.0° | 179.7° |
| C27 | C28 | C29 | C33 | 179.6° | 179.8° |
| C27 | C28 | C29 | C30 | 179.9° | 180.0° |
| C27 | C28 | C33 | C32 | 179.6° | 179.8° |
| C27 | C28 | C33 | N34 | 0.2° | 0.0° |
| C28 | C27 | C26 | N34 | 1.1° | 0.3° |
| C27 | C28 | C29 | H291 | 0.0° | 0.0° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.0° |
| C29 | C28 | C33 | C32 | 0.7° | 0.4° |
| C29 | C28 | C33 | N34 | 179.9° | 179.9° |
| C29 | C28 | C27 | H271 | 0.4° | 0.1° |
| C28 | C29 | C30 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C30 | C29 | C28 | C33 | 0.5° | 0.2° |
| C29 | C30 | C31 | H311 | 179.8° | 179.9° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.1° | 0.2° |
| C31 | C30 | C29 | H291 | 180.0° | 180.0° |
| C30 | C31 | C32 | H321 | 179.9° | 180.0° |
| C31 | C32 | C33 | H321 | 180.0° | 179.8° |
| C31 | C32 | C33 | N34 | 179.8° | 179.9° |
| C31 | C32 | C33 | C28 | 0.5° | 0.4° |
| C32 | C31 | C30 | H301 | 179.8° | 180.0° |
| C32 | C33 | N34 | C28 | 179.3° | 179.7° |
| C32 | C33 | N34 | C26 | 178.8° | 179.6° |
| C33 | C32 | C31 | H311 | 179.9° | 179.9° |
| C32 | C33 | N34 | H341 | 1.1° | 0.5° |
| C33 | N34 | C26 | H341 | 180.0° | 180.0° |
| N34 | C33 | C32 | H321 | 0.2° | 0.1° |
| C06 | C11 | C10 | H101 | 58.8° | 60.0° |
| C06 | C11 | C10 | H102 | 178.6° | 180.0° |
| C11 | C06 | C05 | H052 | 66.4° | 66.7° |
| C11 | C06 | C05 | H051 | 175.3° | 53.3° |
| C11 | C06 | C07 | H072 | 177.6° | 180.0° |
| C11 | C06 | C07 | H071 | 63.2° | 60.0° |
| C06 | C11 | H111 | H112 | 120.8° | 120.0° |
| C22 | C17 | C16 | H161 | 61.3° | 155.0° |
| C22 | C17 | C16 | H162 | 56.9° | 35.1° |
| C22 | C17 | C18 | H181 | 178.8° | 179.8° |
| C17 | C22 | N21 | H211 | 178.6° | 180.0° |
| C26 | N34 | C33 | C28 | 0.5° | 0.1° |
| N34 | C26 | C27 | H271 | 178.9° | 179.8° |
| C33 | C28 | C27 | H271 | 179.2° | 179.8° |
| C33 | C28 | C29 | H291 | 179.5° | 179.8° |
| C28 | C33 | C32 | H321 | 179.5° | 179.8° |
| C28 | C33 | N34 | H341 | 179.5° | 179.8° |
| H101 | C10 | C09 | H091 | 54.6° | 180.0° |
| H101 | C10 | C09 | H092 | 173.4° | 60.0° |
| H101 | C10 | C11 | H111 | 60.9° | 60.0° |
| H101 | C10 | C11 | H112 | 178.6° | 180.0° |
| H102 | C10 | C09 | H091 | 65.2° | 59.9° |
| H102 | C10 | C09 | H092 | 53.6° | 60.0° |
| H102 | C10 | C11 | H111 | 58.8° | 60.0° |
| H102 | C10 | C11 | H112 | 61.7° | 60.0° |
| H151 | C15 | C24 | H241 | 167.0° | 65.0° |
| H151 | C15 | C24 | H1 | 72.3° | 55.0° |
| H151 | C15 | C16 | H161 | 84.0° | 175.0° |
| H151 | C15 | C16 | H162 | 157.7° | 65.0° |
| H151 | C15 | N14 | H141 | 179.2° | 145.0° |
| H201 | C20 | C19 | H191 | 0.8° | 0.3° |
| H201 | C20 | N21 | H211 | 0.0° | 0.0° |
| H241 | C24 | O25 | H251 | 60.3° | 60.0° |
| H1 | C24 | O25 | H251 | 60.3° | 60.0° |
| H041 | C04 | C05 | H052 | 67.4° | 65.3° |
| H041 | C04 | C05 | H051 | 174.2° | 174.7° |
| H041 | C04 | N03 | H031 | 136.5° | 148.7° |
| H052 | C05 | C06 | H061 | 171.5° | 173.3° |
| H051 | C05 | C06 | H061 | 53.2° | 66.7° |
| H061 | C06 | C07 | H072 | 57.7° | 59.9° |
| H061 | C06 | C07 | H071 | 176.9° | 180.0° |
| H061 | C06 | C11 | H111 | 63.1° | 60.0° |
| H061 | C06 | C11 | H112 | 176.4° | 180.0° |
| H072 | C07 | C08 | H081 | 48.1° | 60.0° |
| H072 | C07 | C08 | H082 | 71.0° | 60.1° |
| H071 | C07 | C08 | H081 | 167.2° | 180.0° |
| H071 | C07 | C08 | H082 | 48.2° | 60.0° |
| H081 | C08 | C09 | H091 | 47.1° | 180.0° |
| H081 | C08 | C09 | H092 | 165.9° | 60.0° |
| H082 | C08 | C09 | H091 | 72.0° | 59.9° |
| H082 | C08 | C09 | H092 | 46.8° | 60.1° |
| H181 | C18 | C19 | H191 | 0.1° | 0.2° |
| H291 | C29 | C30 | H301 | 0.0° | 0.0° |
| H301 | C30 | C31 | H311 | 0.2° | 0.1° |
| H311 | C31 | C32 | H321 | 0.1° | 0.1° |
