A1CFZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| C09 | C10 | sing | 1.53Å | 1.58Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| C10 | C05 | sing | 1.53Å | 1.54Å | |
| C10 | N11 | sing | 1.47Å | 1.50Å | |
| C05 | C06 | sing | 1.52Å | 1.55Å | |
| C05 | N04 | sing | 1.47Å | 1.49Å | |
| N11 | C02 | sing | 1.34Å | 1.46Å | |
| N04 | C03 | sing | 1.47Å | 1.46Å | |
| C02 | C03 | sing | 1.50Å | 1.58Å | |
| C02 | O01 | doub | 1.21Å | 1.22Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | 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 | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| N04 | H13 | sing | 1.01Å | 1.00Å | |
| N11 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C09 | C10 | 112.7° | 109.9° |
| C09 | C08 | C07 | 111.3° | 109.2° |
| C09 | C08 | H9 | 109.0° | 109.5° |
| C09 | C08 | H10 | 109.0° | 109.5° |
| C08 | C09 | H11 | 108.7° | 109.4° |
| C08 | C09 | H12 | 108.7° | 109.4° |
| C09 | C10 | C05 | 108.0° | 109.9° |
| C09 | C10 | N11 | 114.5° | 108.5° |
| C09 | C10 | H1 | 106.2° | 110.1° |
| C10 | C09 | H11 | 108.6° | 109.4° |
| C10 | C09 | H12 | 108.6° | 109.4° |
| C08 | C07 | C06 | 111.0° | 109.0° |
| C08 | C07 | H7 | 109.1° | 109.5° |
| C08 | C07 | H8 | 109.1° | 109.7° |
| C07 | C08 | H9 | 109.0° | 109.6° |
| C07 | C08 | H10 | 109.0° | 109.5° |
| C07 | C06 | C05 | 113.2° | 110.1° |
| C07 | C06 | H5 | 108.5° | 109.4° |
| C07 | C06 | H6 | 108.5° | 109.2° |
| C06 | C07 | H7 | 109.1° | 109.6° |
| C06 | C07 | H8 | 109.1° | 109.6° |
| C05 | C10 | N11 | 114.0° | 109.1° |
| C10 | C05 | C06 | 112.1° | 111.1° |
| C10 | C05 | N04 | 110.8° | 109.1° |
| C05 | C10 | H1 | 106.6° | 109.6° |
| C10 | C05 | H4 | 108.1° | 108.8° |
| C10 | N11 | C02 | 117.4° | 122.4° |
| N11 | C10 | H1 | 107.0° | 109.6° |
| C10 | N11 | H15 | 121.3° | 118.8° |
| C06 | C05 | N04 | 109.0° | 110.9° |
| C06 | C05 | H4 | 108.0° | 108.8° |
| C05 | C06 | H5 | 108.5° | 109.4° |
| C05 | C06 | H6 | 108.5° | 109.3° |
| C05 | N04 | C03 | 108.3° | 109.9° |
| N04 | C05 | H4 | 108.8° | 108.1° |
| C05 | N04 | H13 | 109.7° | 111.0° |
| N11 | C02 | C03 | 121.7° | 123.3° |
| N11 | C02 | O01 | 119.0° | 118.3° |
| C02 | N11 | H15 | 121.3° | 118.8° |
| N04 | C03 | C02 | 110.6° | 110.2° |
| N04 | C03 | H2 | 109.2° | 109.4° |
| N04 | C03 | H3 | 109.2° | 109.2° |
| C03 | N04 | H13 | 109.8° | 111.0° |
| C03 | C02 | O01 | 119.2° | 118.3° |
| C02 | C03 | H2 | 109.2° | 109.4° |
| C02 | C03 | H3 | 109.2° | 109.3° |
| H2 | C03 | H3 | 109.5° | 109.4° |
| H5 | C06 | H6 | 109.5° | 109.4° |
| H7 | C07 | H8 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H11 | C09 | H12 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C09 | C10 | H11 | 120.5° | 120.1° |
| C08 | C09 | C10 | H12 | 120.5° | 120.1° |
| C09 | C08 | C07 | H9 | 120.3° | 119.9° |
| C09 | C08 | C07 | H10 | 120.3° | 119.9° |
| C09 | C08 | C07 | C06 | 52.9° | 61.3° |
| C08 | C09 | C10 | C05 | 56.7° | 58.1° |
| C08 | C09 | C10 | N11 | 71.5° | 177.4° |
| C08 | C09 | C10 | H1 | 170.7° | 62.7° |
| C09 | C08 | C07 | H7 | 173.1° | 178.9° |
| C09 | C08 | C07 | H8 | 67.4° | 58.7° |
| C09 | C08 | H9 | H10 | 119.2° | 120.1° |
| C08 | C09 | H11 | H12 | 118.5° | 119.8° |
| C10 | C09 | C08 | C07 | 56.5° | 60.9° |
| C09 | C10 | C05 | N11 | 128.4° | 118.9° |
| C09 | C10 | C05 | H1 | 113.7° | 121.1° |
| C09 | C10 | N11 | H1 | 117.4° | 120.2° |
| C09 | C10 | C05 | C06 | 55.2° | 56.6° |
| C09 | C10 | C05 | N04 | 177.1° | 65.9° |
| C09 | C10 | N11 | C02 | 140.8° | 98.9° |
| C09 | C10 | C05 | H4 | 63.8° | 176.4° |
| C10 | C09 | C08 | H9 | 63.8° | 59.1° |
| C10 | C09 | C08 | H10 | 176.8° | 179.2° |
| C10 | C09 | H11 | H12 | 118.5° | 119.8° |
| C09 | C10 | N11 | H15 | 39.2° | 81.0° |
| C08 | C07 | C06 | H7 | 120.2° | 119.8° |
| C08 | C07 | C06 | H8 | 120.2° | 120.0° |
| C08 | C07 | C06 | C05 | 52.7° | 59.6° |
| C08 | C07 | C06 | H5 | 67.8° | 60.7° |
| C08 | C07 | C06 | H6 | 173.3° | 179.6° |
| C08 | C07 | H7 | H8 | 119.3° | 120.3° |
| C07 | C08 | H9 | H10 | 119.1° | 120.2° |
| C07 | C08 | C09 | H11 | 64.0° | 59.2° |
| C07 | C08 | C09 | H12 | 176.9° | 179.0° |
| C07 | C06 | C05 | C10 | 55.4° | 57.6° |
| C07 | C06 | C05 | H5 | 120.6° | 120.2° |
| C07 | C06 | C05 | H6 | 120.6° | 120.0° |
| C07 | C06 | C05 | N04 | 178.5° | 63.9° |
| C07 | C06 | C05 | H4 | 63.5° | 177.4° |
| C07 | C06 | H5 | H6 | 118.3° | 119.6° |
| C06 | C07 | H7 | H8 | 119.3° | 120.2° |
| C06 | C07 | C08 | H9 | 67.4° | 58.7° |
| C06 | C07 | C08 | H10 | 173.2° | 178.8° |
| C05 | C10 | N11 | H1 | 117.6° | 120.1° |
| C10 | C05 | C06 | N04 | 123.0° | 121.5° |
| C10 | C05 | C06 | H4 | 119.0° | 119.8° |
| C10 | C05 | N04 | H4 | 118.7° | 118.2° |
| C05 | C10 | N11 | C02 | 15.8° | 20.8° |
| C10 | C05 | N04 | C03 | 70.2° | 69.4° |
| C10 | C05 | C06 | H5 | 65.1° | 62.6° |
| C10 | C05 | C06 | H6 | 176.0° | 177.6° |
| C05 | C10 | C09 | H11 | 63.8° | 62.0° |
| C05 | C10 | C09 | H12 | 177.2° | 178.3° |
| C10 | C05 | N04 | H13 | 170.0° | 53.8° |
| C05 | C10 | N11 | H15 | 164.2° | 159.2° |
| N11 | C10 | C05 | C06 | 73.3° | 175.5° |
| N11 | C10 | C05 | N04 | 48.7° | 53.0° |
| C10 | N11 | C02 | H15 | 180.0° | 180.0° |
| C10 | N11 | C02 | C03 | 4.0° | 2.7° |
| C10 | N11 | C02 | O01 | 179.6° | 177.4° |
| N11 | C10 | C05 | H4 | 167.8° | 64.7° |
| N11 | C10 | C09 | H11 | 168.1° | 57.3° |
| N11 | C10 | C09 | H12 | 49.0° | 62.5° |
| C06 | C05 | N04 | H4 | 117.5° | 119.2° |
| C06 | C05 | N04 | C03 | 53.6° | 167.9° |
| C06 | C05 | C10 | H1 | 168.9° | 64.5° |
| C05 | C06 | H5 | H6 | 118.3° | 119.7° |
| C05 | C06 | C07 | H7 | 173.0° | 179.4° |
| C05 | C06 | C07 | H8 | 67.5° | 60.4° |
| C06 | C05 | N04 | H13 | 66.2° | 68.9° |
| C05 | N04 | C03 | H13 | 119.8° | 123.2° |
| C05 | N04 | C03 | C02 | 55.4° | 48.3° |
| N04 | C05 | C10 | H1 | 69.2° | 173.0° |
| C05 | N04 | C03 | H2 | 64.7° | 71.9° |
| C05 | N04 | C03 | H3 | 175.6° | 168.5° |
| N04 | C05 | C06 | H5 | 57.9° | 175.9° |
| N04 | C05 | C06 | H6 | 61.0° | 56.1° |
| N11 | C02 | C03 | N04 | 24.1° | 15.8° |
| N11 | C02 | C03 | O01 | 176.4° | 180.0° |
| C02 | N11 | C10 | H1 | 101.8° | 140.9° |
| N11 | C02 | C03 | H2 | 96.1° | 104.4° |
| N11 | C02 | C03 | H3 | 144.3° | 135.8° |
| N04 | C03 | C02 | H2 | 120.2° | 120.2° |
| N04 | C03 | C02 | H3 | 120.2° | 120.0° |
| N04 | C03 | C02 | O01 | 159.4° | 164.2° |
| N04 | C03 | H2 | H3 | 119.5° | 119.6° |
| C03 | N04 | C05 | H4 | 171.1° | 48.7° |
| C02 | C03 | H2 | H3 | 119.5° | 119.7° |
| C02 | C03 | N04 | H13 | 175.2° | 74.8° |
| C03 | C02 | N11 | H15 | 176.0° | 177.4° |
| O01 | C02 | C03 | H2 | 80.4° | 75.6° |
| O01 | C02 | C03 | H3 | 39.3° | 44.2° |
| O01 | C02 | N11 | H15 | 0.4° | 2.6° |
| H1 | C10 | C05 | H4 | 50.0° | 55.3° |
| H1 | C10 | C09 | H11 | 50.2° | 177.2° |
| H1 | C10 | C09 | H12 | 68.8° | 57.4° |
| H1 | C10 | N11 | H15 | 78.2° | 39.2° |
| H2 | C03 | N04 | H13 | 55.0° | 164.9° |
| H3 | C03 | N04 | H13 | 64.6° | 45.3° |
| H4 | C05 | C06 | H5 | 175.9° | 57.1° |
| H4 | C05 | C06 | H6 | 57.0° | 62.6° |
| H4 | C05 | N04 | H13 | 51.3° | 171.9° |
| H5 | C06 | C07 | H7 | 52.4° | 59.2° |
| H5 | C06 | C07 | H8 | 172.0° | 179.3° |
| H6 | C06 | C07 | H7 | 66.5° | 60.5° |
| H6 | C06 | C07 | H8 | 53.1° | 59.7° |
| H7 | C07 | C08 | H9 | 52.8° | 61.2° |
| H7 | C07 | C08 | H10 | 66.6° | 59.0° |
| H8 | C07 | C08 | H9 | 172.4° | 178.6° |
| H8 | C07 | C08 | H10 | 52.9° | 61.2° |
| H9 | C08 | C09 | H11 | 175.8° | 179.2° |
| H9 | C08 | C09 | H12 | 56.7° | 61.1° |
| H10 | C08 | C09 | H11 | 56.3° | 60.7° |
| H10 | C08 | C09 | H12 | 62.8° | 59.1° |
