A1CAU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | N25 | doub | 1.22Å | 1.25Å | |
| N25 | O26 | sing | 1.22Å | 1.17Å | |
| N25 | C22 | sing | 1.48Å | 1.50Å | |
| C23 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| O09 | C04 | doub | 1.22Å | 1.24Å | |
| N05 | C04 | sing | 1.35Å | 1.46Å | |
| N05 | C06 | sing | 1.34Å | 1.43Å | |
| C04 | C03 | sing | 1.47Å | 1.52Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C19 | C12 | sing | 1.47Å | 1.57Å | |
| O08 | C06 | doub | 1.22Å | 1.23Å | |
| C06 | N07 | sing | 1.34Å | 1.44Å | |
| C03 | C10 | doub | 1.39Å | 1.54Å | |
| C03 | C02 | sing | 1.47Å | 1.40Å | |
| C10 | C11 | sing | 1.40Å | 1.36Å | |
| C12 | C11 | doub | 1.36Å | 1.57Å | |
| N07 | C02 | sing | 1.35Å | 1.44Å | |
| C02 | O01 | doub | 1.22Å | 1.38Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | N25 | O26 | 121.5° | 120.1° |
| O27 | N25 | C22 | 113.6° | 120.0° |
| O26 | N25 | C22 | 124.9° | 120.0° |
| N25 | C22 | C23 | 116.8° | 119.8° |
| N25 | C22 | C21 | 123.6° | 119.8° |
| C22 | C23 | C24 | 119.1° | 120.2° |
| C23 | C22 | C21 | 119.6° | 120.4° |
| C22 | C23 | H231 | 120.4° | 119.9° |
| C23 | C24 | C19 | 122.8° | 119.8° |
| C23 | C24 | H241 | 118.6° | 120.1° |
| C24 | C23 | H231 | 120.5° | 119.9° |
| C22 | C21 | C20 | 120.0° | 120.2° |
| C22 | C21 | H211 | 120.0° | 119.9° |
| C24 | C19 | C20 | 116.0° | 119.6° |
| C24 | C19 | C12 | 125.7° | 120.2° |
| C19 | C24 | H241 | 118.6° | 120.1° |
| O09 | C04 | N05 | 117.5° | 120.9° |
| O09 | C04 | C03 | 124.0° | 120.9° |
| C04 | N05 | C06 | 121.7° | 121.5° |
| N05 | C04 | C03 | 118.5° | 118.2° |
| C04 | N05 | H051 | 119.2° | 119.3° |
| N05 | C06 | O08 | 121.9° | 118.3° |
| N05 | C06 | N07 | 118.2° | 123.5° |
| C06 | N05 | H051 | 119.1° | 119.2° |
| C04 | C03 | C10 | 116.7° | 121.5° |
| C04 | C03 | C02 | 117.7° | 117.1° |
| C21 | C20 | C19 | 122.5° | 119.8° |
| C20 | C21 | H211 | 120.0° | 119.9° |
| C21 | C20 | H201 | 118.8° | 120.1° |
| C20 | C19 | C12 | 118.3° | 120.2° |
| C19 | C20 | H201 | 118.7° | 120.1° |
| C19 | C12 | C11 | 111.9° | 120.0° |
| C19 | C12 | H121 | 124.1° | 120.0° |
| O08 | C06 | N07 | 119.8° | 118.3° |
| C06 | N07 | C02 | 121.1° | 121.5° |
| C06 | N07 | H071 | 119.4° | 119.2° |
| C10 | C03 | C02 | 125.6° | 121.5° |
| C03 | C10 | C11 | 127.9° | 120.0° |
| C03 | C10 | H101 | 116.1° | 120.0° |
| C03 | C02 | N07 | 122.8° | 118.2° |
| C03 | C02 | O01 | 121.1° | 120.8° |
| C10 | C11 | C12 | 126.7° | 120.0° |
| C10 | C11 | H111 | 116.6° | 120.0° |
| C11 | C10 | H101 | 116.1° | 120.0° |
| C12 | C11 | H111 | 116.6° | 120.0° |
| C11 | C12 | H121 | 124.1° | 120.0° |
| N07 | C02 | O01 | 116.1° | 120.9° |
| C02 | N07 | H071 | 119.5° | 119.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | N25 | O26 | C22 | 179.1° | 180.0° |
| O27 | N25 | C22 | C23 | 13.4° | 0.1° |
| O27 | N25 | C22 | C21 | 166.3° | 180.0° |
| O26 | N25 | C22 | C23 | 165.8° | 180.0° |
| O26 | N25 | C22 | C21 | 14.5° | 0.0° |
| N25 | C22 | C23 | C21 | 179.7° | 180.0° |
| N25 | C22 | C23 | C24 | 180.0° | 180.0° |
| N25 | C22 | C21 | C20 | 180.0° | 180.0° |
| N25 | C22 | C21 | H211 | 0.0° | 0.3° |
| N25 | C22 | C23 | H231 | 0.0° | 0.1° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C19 | 0.3° | 0.3° |
| C23 | C22 | C21 | C20 | 0.4° | 0.0° |
| C23 | C22 | C21 | H211 | 179.7° | 179.8° |
| C22 | C23 | C24 | H241 | 179.6° | 179.7° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C23 | C24 | C19 | H241 | 180.0° | 179.4° |
| C23 | C24 | C19 | C20 | 0.5° | 0.5° |
| C23 | C24 | C19 | C12 | 179.9° | 180.0° |
| C22 | C21 | C20 | H211 | 180.0° | 179.8° |
| C22 | C21 | C20 | C19 | 0.5° | 0.3° |
| C22 | C21 | C20 | H201 | 179.5° | 179.7° |
| C21 | C22 | C23 | H231 | 179.7° | 180.0° |
| C24 | C19 | C20 | C21 | 0.6° | 0.5° |
| C24 | C19 | C20 | C12 | 179.6° | 179.5° |
| C24 | C19 | C12 | C11 | 71.0° | 34.8° |
| C24 | C19 | C12 | H121 | 109.0° | 145.1° |
| C24 | C19 | C20 | H201 | 179.4° | 179.5° |
| C19 | C24 | C23 | H231 | 179.6° | 179.8° |
| O09 | C04 | N05 | C03 | 179.9° | 179.9° |
| O09 | C04 | N05 | C06 | 179.5° | 180.0° |
| O09 | C04 | C03 | C10 | 0.7° | 0.0° |
| O09 | C04 | C03 | C02 | 179.2° | 179.9° |
| O09 | C04 | N05 | H051 | 0.4° | 0.1° |
| C04 | N05 | C06 | H051 | 180.0° | 179.9° |
| C04 | N05 | C06 | O08 | 179.3° | 179.7° |
| C04 | N05 | C06 | N07 | 0.0° | 0.2° |
| N05 | C04 | C03 | C10 | 179.2° | 179.9° |
| N05 | C04 | C03 | C02 | 0.7° | 0.0° |
| C06 | N05 | C04 | C03 | 0.4° | 0.1° |
| N05 | C06 | O08 | N07 | 179.3° | 179.6° |
| N05 | C06 | N07 | C02 | 0.1° | 0.5° |
| N05 | C06 | N07 | H071 | 179.9° | 179.9° |
| C04 | C03 | C10 | C02 | 178.4° | 180.0° |
| C04 | C03 | C10 | C11 | 138.5° | 7.4° |
| C04 | C03 | C02 | N07 | 0.6° | 0.3° |
| C04 | C03 | C02 | O01 | 179.0° | 180.0° |
| C04 | C03 | C10 | H101 | 41.6° | 172.6° |
| C03 | C04 | N05 | H051 | 179.6° | 180.0° |
| C21 | C20 | C19 | H201 | 180.0° | 180.0° |
| C21 | C20 | C19 | C12 | 179.8° | 180.0° |
| C20 | C19 | C12 | C11 | 108.6° | 145.7° |
| C20 | C19 | C12 | H121 | 71.4° | 34.3° |
| C19 | C20 | C21 | H211 | 179.5° | 180.0° |
| C20 | C19 | C24 | H241 | 179.5° | 180.0° |
| C19 | C12 | C11 | C10 | 27.1° | 6.2° |
| C19 | C12 | C11 | H121 | 180.0° | 180.0° |
| C19 | C12 | C11 | H111 | 152.9° | 173.6° |
| C12 | C19 | C20 | H201 | 0.2° | 0.0° |
| C12 | C19 | C24 | H241 | 0.1° | 0.5° |
| O08 | C06 | N07 | C02 | 179.4° | 179.9° |
| O08 | C06 | N05 | H051 | 0.6° | 0.2° |
| O08 | C06 | N07 | H071 | 0.5° | 0.5° |
| C06 | N07 | C02 | C03 | 0.3° | 0.5° |
| C06 | N07 | C02 | H071 | 180.0° | 179.4° |
| C06 | N07 | C02 | O01 | 179.4° | 179.7° |
| N07 | C06 | N05 | H051 | 180.0° | 179.7° |
| C03 | C10 | C11 | H101 | 180.0° | 180.0° |
| C03 | C10 | C11 | C12 | 177.4° | 174.1° |
| C10 | C03 | C02 | N07 | 179.0° | 179.8° |
| C10 | C03 | C02 | O01 | 0.6° | 0.0° |
| C03 | C10 | C11 | H111 | 2.6° | 5.7° |
| C02 | C03 | C10 | C11 | 39.9° | 172.5° |
| C03 | C02 | N07 | O01 | 179.7° | 179.8° |
| C02 | C03 | C10 | H101 | 140.1° | 7.5° |
| C03 | C02 | N07 | H071 | 179.8° | 179.9° |
| C10 | C11 | C12 | H111 | 180.0° | 179.8° |
| C10 | C11 | C12 | H121 | 152.9° | 173.8° |
| C12 | C11 | C10 | H101 | 2.6° | 5.9° |
| O01 | C02 | N07 | H071 | 0.6° | 0.3° |
| H111 | C11 | C10 | H101 | 177.4° | 174.3° |
| H111 | C11 | C12 | H121 | 27.1° | 6.4° |
| H211 | C21 | C20 | H201 | 0.5° | 0.1° |
| H241 | C24 | C23 | H231 | 0.4° | 0.3° |
