A1CG3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | sing | 1.36Å | 1.46Å | |
| N03 | C02 | sing | 1.37Å | 1.44Å | |
| N04 | C02 | doub | 1.32Å | 1.46Å | |
| C05 | N04 | sing | 1.33Å | 1.46Å | |
| C06 | C05 | doub | 1.41Å | 1.45Å | |
| O08 | C07 | doub | 1.22Å | 1.18Å | |
| C07 | C06 | sing | 1.46Å | 1.51Å | |
| C09 | C06 | sing | 1.41Å | 1.48Å | |
| O10 | C09 | doub | 1.22Å | 1.18Å | |
| C11 | C09 | sing | 1.42Å | 1.49Å | |
| O14 | C13 | sing | 1.34Å | 1.27Å | |
| O15 | C13 | doub | 1.21Å | 1.26Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C16 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| N17 | C11 | doub | 1.30Å | 1.47Å | |
| N18 | N17 | sing | 1.40Å | 1.46Å | |
| N01 | C07 | sing | 1.35Å | 1.44Å | |
| C05 | N18 | sing | 1.37Å | 1.50Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N03 | H032 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| O14 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | N03 | 120.9° | 118.6° |
| N01 | C02 | N04 | 119.9° | 122.9° |
| C02 | N01 | C07 | 120.1° | 120.2° |
| C02 | N01 | H011 | 120.0° | 119.8° |
| N03 | C02 | N04 | 119.3° | 118.5° |
| C02 | N03 | H031 | 120.0° | 119.9° |
| C02 | N03 | H032 | 120.0° | 120.0° |
| C02 | N04 | C05 | 120.9° | 121.7° |
| N04 | C05 | C06 | 119.8° | 119.3° |
| N04 | C05 | N18 | 119.4° | 121.7° |
| C05 | C06 | C07 | 118.9° | 118.5° |
| C05 | C06 | C09 | 119.0° | 119.4° |
| C06 | C05 | N18 | 120.9° | 119.1° |
| O08 | C07 | C06 | 120.9° | 121.3° |
| O08 | C07 | N01 | 118.6° | 121.3° |
| C07 | C06 | C09 | 122.0° | 122.1° |
| C06 | C07 | N01 | 120.5° | 117.4° |
| C06 | C09 | O10 | 120.0° | 120.8° |
| C06 | C09 | C11 | 120.0° | 118.5° |
| O10 | C09 | C11 | 120.0° | 120.7° |
| C09 | C11 | C12 | 120.8° | 119.7° |
| C09 | C11 | N17 | 120.7° | 120.5° |
| O14 | C13 | O15 | 120.9° | 120.0° |
| O14 | C13 | C12 | 119.8° | 120.0° |
| C13 | O14 | H1 | 109.5° | 117.0° |
| O15 | C13 | C12 | 119.3° | 120.0° |
| C13 | C12 | C16 | 113.3° | 109.5° |
| C13 | C12 | C11 | 105.7° | 109.4° |
| C13 | C12 | H121 | 108.6° | 109.5° |
| C16 | C12 | C11 | 111.8° | 109.4° |
| C16 | C12 | H121 | 108.6° | 109.5° |
| C12 | C16 | H161 | 109.5° | 109.5° |
| C12 | C16 | H162 | 109.5° | 109.5° |
| C12 | C16 | H163 | 109.5° | 109.5° |
| C12 | C11 | N17 | 118.5° | 119.7° |
| C11 | C12 | H121 | 108.7° | 109.5° |
| C11 | N17 | N18 | 119.2° | 122.0° |
| N17 | N18 | C05 | 120.3° | 120.6° |
| N17 | N18 | H181 | 119.9° | 119.7° |
| C07 | N01 | H011 | 120.0° | 119.9° |
| C05 | N18 | H181 | 119.9° | 119.7° |
| H161 | C16 | H162 | 109.4° | 109.4° |
| H161 | C16 | H163 | 109.5° | 109.4° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H031 | N03 | H032 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N03 | N04 | 179.9° | 179.8° |
| N01 | C02 | N04 | C05 | 0.9° | 0.0° |
| C02 | N01 | C07 | O08 | 179.7° | 180.0° |
| C02 | N01 | C07 | C06 | 0.0° | 0.5° |
| C02 | N01 | C07 | H011 | 180.0° | 180.0° |
| N01 | C02 | N03 | H031 | 179.9° | 0.0° |
| N01 | C02 | N03 | H032 | 0.1° | 180.0° |
| N03 | C02 | N04 | C05 | 179.2° | 179.7° |
| N03 | C02 | N01 | C07 | 179.6° | 180.0° |
| N03 | C02 | N01 | H011 | 0.3° | 0.1° |
| C02 | N03 | H031 | H032 | 180.0° | 180.0° |
| C02 | N04 | C05 | C06 | 0.9° | 0.0° |
| N04 | C02 | N01 | C07 | 0.5° | 0.3° |
| C02 | N04 | C05 | N18 | 179.3° | 179.9° |
| N04 | C02 | N01 | H011 | 179.6° | 179.7° |
| N04 | C02 | N03 | H031 | 0.0° | 179.7° |
| N04 | C02 | N03 | H032 | 180.0° | 0.2° |
| N04 | C05 | C06 | N18 | 179.8° | 179.9° |
| N04 | C05 | C06 | C07 | 0.4° | 0.3° |
| N04 | C05 | C06 | C09 | 179.6° | 180.0° |
| N04 | C05 | N18 | N17 | 179.5° | 179.9° |
| N04 | C05 | N18 | H181 | 0.5° | 0.1° |
| C05 | C06 | C07 | O08 | 179.7° | 180.0° |
| C05 | C06 | C07 | C09 | 180.0° | 179.7° |
| C05 | C06 | C09 | O10 | 179.9° | 179.9° |
| C05 | C06 | C09 | C11 | 0.5° | 0.0° |
| C06 | C05 | N18 | N17 | 0.3° | 0.0° |
| C05 | C06 | C07 | N01 | 0.1° | 0.6° |
| C06 | C05 | N18 | H181 | 179.7° | 180.0° |
| O08 | C07 | C06 | N01 | 179.7° | 179.4° |
| O08 | C07 | C06 | C09 | 0.3° | 0.3° |
| O08 | C07 | N01 | H011 | 0.3° | 0.0° |
| C07 | C06 | C09 | O10 | 0.1° | 0.2° |
| C07 | C06 | C09 | C11 | 179.5° | 179.7° |
| C07 | C06 | C05 | N18 | 179.8° | 179.8° |
| C06 | C07 | N01 | H011 | 180.0° | 179.4° |
| C06 | C09 | O10 | C11 | 179.6° | 180.0° |
| C06 | C09 | C11 | C12 | 179.2° | 180.0° |
| C06 | C09 | C11 | N17 | 0.9° | 0.1° |
| C09 | C06 | C07 | N01 | 179.9° | 179.7° |
| C09 | C06 | C05 | N18 | 0.2° | 0.0° |
| O10 | C09 | C11 | C12 | 1.2° | 0.1° |
| O10 | C09 | C11 | N17 | 179.5° | 180.0° |
| C09 | C11 | C12 | C13 | 79.9° | 65.1° |
| C09 | C11 | C12 | C16 | 156.3° | 175.0° |
| C09 | C11 | C12 | N17 | 178.4° | 179.9° |
| C09 | C11 | N17 | N18 | 1.0° | 0.1° |
| C09 | C11 | C12 | H121 | 36.5° | 54.9° |
| O14 | C13 | O15 | C12 | 178.7° | 179.6° |
| O14 | C13 | C12 | C16 | 113.2° | 60.1° |
| O14 | C13 | C12 | C11 | 124.0° | 180.0° |
| O14 | C13 | C12 | H121 | 7.6° | 60.0° |
| O15 | C13 | C12 | C16 | 68.1° | 120.3° |
| O15 | C13 | C12 | C11 | 54.7° | 0.3° |
| O15 | C13 | C12 | H121 | 171.2° | 119.7° |
| O15 | C13 | O14 | H1 | 0.0° | 0.3° |
| C13 | C12 | C16 | C11 | 119.3° | 119.9° |
| C13 | C12 | C16 | H121 | 120.8° | 120.1° |
| C13 | C12 | C11 | H121 | 116.4° | 120.0° |
| C13 | C12 | C11 | N17 | 98.5° | 115.0° |
| C13 | C12 | C16 | H161 | 180.0° | 60.0° |
| C13 | C12 | C16 | H162 | 60.0° | 180.0° |
| C13 | C12 | C16 | H163 | 60.0° | 60.0° |
| C12 | C13 | O14 | H1 | 178.7° | 180.0° |
| C16 | C12 | C11 | H121 | 119.9° | 120.0° |
| C16 | C12 | C11 | N17 | 25.3° | 5.0° |
| C12 | C16 | H161 | H162 | 120.0° | 120.1° |
| C12 | C16 | H161 | H163 | 120.0° | 120.0° |
| C12 | C16 | H162 | H163 | 120.0° | 120.0° |
| C12 | C11 | N17 | N18 | 179.4° | 180.0° |
| C11 | C12 | C16 | H161 | 60.7° | 60.0° |
| C11 | C12 | C16 | H162 | 179.3° | 60.0° |
| C11 | C12 | C16 | H163 | 59.3° | 179.9° |
| C11 | N17 | N18 | C05 | 0.7° | 0.0° |
| N17 | C11 | C12 | H121 | 145.1° | 125.0° |
| C11 | N17 | N18 | H181 | 179.3° | 179.9° |
| N17 | N18 | C05 | H181 | 180.0° | 179.9° |
| H121 | C12 | C16 | H161 | 59.2° | 180.0° |
| H121 | C12 | C16 | H162 | 60.8° | 60.0° |
| H121 | C12 | C16 | H163 | 179.2° | 60.1° |
| H161 | C16 | H162 | H163 | 120.0° | 119.9° |
