A1CGN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | N08 | sing | 1.47Å | 1.54Å | |
| C07 | C06 | sing | 1.54Å | 1.56Å | |
| N08 | C09 | sing | 1.47Å | 1.52Å | |
| C06 | C09 | sing | 1.53Å | 1.57Å | |
| C06 | C04 | sing | 1.51Å | 1.54Å | |
| C04 | N03 | sing | 1.35Å | 1.40Å | |
| C04 | O05 | doub | 1.21Å | 1.26Å | |
| N03 | C02 | sing | 1.46Å | 1.47Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| N03 | H11 | sing | 0.97Å | 1.00Å | |
| N08 | H12 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N08 | C07 | C06 | 89.7° | 87.9° |
| C07 | N08 | C09 | 90.3° | 87.8° |
| N08 | C07 | H7 | 114.1° | 113.5° |
| N08 | C07 | H8 | 114.1° | 113.5° |
| C07 | N08 | H12 | 114.0° | 111.0° |
| C07 | C06 | C09 | 87.7° | 83.6° |
| C07 | C06 | C04 | 116.9° | 114.2° |
| C07 | C06 | H6 | 112.2° | 114.3° |
| C06 | C07 | H7 | 114.2° | 113.5° |
| C06 | C07 | H8 | 114.1° | 113.5° |
| N08 | C09 | C06 | 90.0° | 88.0° |
| N08 | C09 | H9 | 114.1° | 113.5° |
| N08 | C09 | H10 | 114.1° | 113.5° |
| C09 | N08 | H12 | 114.0° | 111.0° |
| C09 | C06 | C04 | 113.4° | 114.2° |
| C09 | C06 | H6 | 112.0° | 114.2° |
| C06 | C09 | H9 | 114.1° | 113.5° |
| C06 | C09 | H10 | 114.1° | 113.4° |
| C06 | C04 | N03 | 115.5° | 120.0° |
| C06 | C04 | O05 | 123.0° | 120.0° |
| C04 | C06 | H6 | 112.5° | 113.2° |
| N03 | C04 | O05 | 121.4° | 120.0° |
| C04 | N03 | C02 | 121.1° | 120.0° |
| C04 | N03 | H11 | 119.4° | 120.0° |
| N03 | C02 | C01 | 111.2° | 109.5° |
| N03 | C02 | H4 | 109.0° | 109.5° |
| N03 | C02 | H5 | 109.0° | 109.5° |
| C02 | N03 | H11 | 119.5° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C01 | C02 | H4 | 109.0° | 109.4° |
| C01 | C02 | H5 | 109.0° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.5° | 112.8° |
| H9 | C09 | H10 | 109.5° | 112.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N08 | C07 | C06 | H7 | 116.5° | 114.8° |
| N08 | C07 | C06 | H8 | 116.5° | 114.8° |
| C07 | N08 | C09 | H12 | 116.7° | 111.7° |
| N08 | C07 | C06 | C09 | 11.0° | 26.0° |
| N08 | C07 | C06 | C04 | 126.2° | 139.7° |
| N08 | C07 | C06 | H6 | 101.8° | 87.7° |
| N08 | C07 | H7 | H8 | 129.3° | 130.8° |
| C07 | N08 | C09 | H9 | 105.3° | 141.8° |
| C07 | N08 | C09 | H10 | 127.8° | 87.8° |
| C07 | C06 | C09 | C04 | 118.4° | 113.6° |
| C07 | C06 | C09 | H6 | 113.0° | 113.8° |
| C07 | C06 | C04 | H6 | 131.9° | 133.2° |
| C07 | C06 | C04 | N03 | 139.6° | 86.1° |
| C07 | C06 | C04 | O05 | 40.5° | 93.8° |
| C06 | C07 | H7 | H8 | 129.4° | 130.8° |
| C07 | C06 | C09 | H9 | 105.4° | 140.8° |
| C07 | C06 | C09 | H10 | 127.7° | 88.8° |
| C06 | C07 | N08 | H12 | 128.0° | 138.7° |
| N08 | C09 | C06 | H9 | 116.6° | 114.8° |
| N08 | C09 | C06 | H10 | 116.5° | 114.8° |
| N08 | C09 | C06 | C04 | 129.6° | 139.6° |
| N08 | C09 | C06 | H6 | 101.9° | 87.8° |
| C09 | N08 | C07 | H7 | 127.9° | 87.8° |
| C09 | N08 | C07 | H8 | 105.1° | 141.8° |
| N08 | C09 | H9 | H10 | 129.2° | 130.8° |
| C09 | C06 | C04 | H6 | 128.3° | 133.0° |
| C09 | C06 | C04 | N03 | 120.5° | 180.0° |
| C09 | C06 | C04 | O05 | 59.3° | 0.0° |
| C09 | C06 | C07 | H7 | 127.5° | 88.8° |
| C09 | C06 | C07 | H8 | 105.5° | 140.8° |
| C06 | C09 | H9 | H10 | 129.2° | 130.8° |
| C06 | C09 | N08 | H12 | 127.9° | 138.7° |
| C06 | C04 | N03 | O05 | 179.8° | 180.0° |
| C06 | C04 | N03 | C02 | 179.6° | 180.0° |
| C04 | C06 | C07 | H7 | 117.3° | 24.9° |
| C04 | C06 | C07 | H8 | 9.7° | 105.5° |
| C04 | C06 | C09 | H9 | 13.0° | 105.6° |
| C04 | C06 | C09 | H10 | 113.9° | 24.8° |
| C06 | C04 | N03 | H11 | 0.4° | 0.0° |
| C04 | N03 | C02 | H11 | 180.0° | 180.0° |
| C04 | N03 | C02 | C01 | 164.8° | 180.0° |
| C04 | N03 | C02 | H4 | 44.5° | 60.0° |
| C04 | N03 | C02 | H5 | 75.0° | 60.0° |
| N03 | C04 | C06 | H6 | 7.8° | 47.0° |
| O05 | C04 | N03 | C02 | 0.3° | 0.0° |
| O05 | C04 | C06 | H6 | 172.4° | 133.0° |
| O05 | C04 | N03 | H11 | 179.7° | 180.0° |
| N03 | C02 | C01 | H4 | 120.3° | 120.0° |
| N03 | C02 | C01 | H5 | 120.2° | 120.0° |
| N03 | C02 | C01 | H1 | 180.0° | 60.0° |
| N03 | C02 | C01 | H2 | 60.0° | 180.0° |
| N03 | C02 | C01 | H3 | 60.0° | 60.0° |
| N03 | C02 | H4 | H5 | 119.2° | 120.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 119.2° | 120.0° |
| C01 | C02 | N03 | H11 | 15.2° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.8° | 180.0° |
| H1 | C01 | C02 | H5 | 59.7° | 60.0° |
| H2 | C01 | C02 | H4 | 179.7° | 60.0° |
| H2 | C01 | C02 | H5 | 60.2° | 60.0° |
| H3 | C01 | C02 | H4 | 60.3° | 60.0° |
| H3 | C01 | C02 | H5 | 179.8° | 180.0° |
| H4 | C02 | N03 | H11 | 135.5° | 120.0° |
| H5 | C02 | N03 | H11 | 105.0° | 120.0° |
| H6 | C06 | C07 | H7 | 14.7° | 157.5° |
| H6 | C06 | C07 | H8 | 141.7° | 27.1° |
| H6 | C06 | C09 | H9 | 141.6° | 27.0° |
| H6 | C06 | C09 | H10 | 14.7° | 157.4° |
| H7 | C07 | N08 | H12 | 115.4° | 24.0° |
| H8 | C07 | N08 | H12 | 11.6° | 106.5° |
| H9 | C09 | N08 | H12 | 11.4° | 106.5° |
| H10 | C09 | N08 | H12 | 115.5° | 24.0° |
