A1CFF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.22Å | 1.22Å | |
| N01 | C02 | sing | 1.35Å | 1.43Å | |
| C02 | N04 | sing | 1.35Å | 1.43Å | |
| N04 | C05 | sing | 1.46Å | 1.50Å | |
| C05 | C10 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C10 | C09 | sing | 1.53Å | 1.51Å | |
| C09 | C08 | sing | 1.53Å | 1.50Å | |
| C06 | C07 | sing | 1.53Å | 1.51Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| N01 | H3 | sing | 0.97Å | 1.00Å | |
| N01 | H4 | sing | 0.97Å | 1.00Å | |
| N04 | H5 | sing | 0.97Å | 1.00Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | N01 | 118.6° | 120.0° |
| O03 | C02 | N04 | 121.0° | 120.0° |
| N01 | C02 | N04 | 120.4° | 120.0° |
| C02 | N01 | H3 | 120.0° | 120.0° |
| C02 | N01 | H4 | 120.0° | 120.0° |
| C02 | N04 | C05 | 120.8° | 120.0° |
| C02 | N04 | H5 | 119.6° | 120.0° |
| N04 | C05 | C10 | 110.4° | 109.5° |
| N04 | C05 | C06 | 111.8° | 109.5° |
| C05 | N04 | H5 | 119.6° | 120.0° |
| N04 | C05 | H6 | 109.3° | 109.5° |
| C10 | C05 | C06 | 107.8° | 109.5° |
| C05 | C10 | C09 | 114.4° | 109.5° |
| C05 | C10 | H1 | 108.2° | 109.5° |
| C05 | C10 | H2 | 108.2° | 109.5° |
| C10 | C05 | H6 | 108.7° | 109.5° |
| C05 | C06 | C07 | 113.2° | 109.5° |
| C06 | C05 | H6 | 108.7° | 109.5° |
| C05 | C06 | H7 | 108.5° | 109.5° |
| C05 | C06 | H8 | 108.5° | 109.5° |
| C10 | C09 | C08 | 111.2° | 109.5° |
| C09 | C10 | H1 | 108.2° | 109.4° |
| C09 | C10 | H2 | 108.3° | 109.4° |
| C10 | C09 | H13 | 109.0° | 109.4° |
| C10 | C09 | H14 | 109.0° | 109.5° |
| C09 | C08 | C07 | 110.8° | 109.4° |
| C09 | C08 | H11 | 109.1° | 109.5° |
| C09 | C08 | H12 | 109.1° | 109.5° |
| C08 | C09 | H13 | 109.0° | 109.5° |
| C08 | C09 | H14 | 109.0° | 109.5° |
| C06 | C07 | C08 | 113.4° | 109.4° |
| C07 | C06 | H7 | 108.5° | 109.5° |
| C07 | C06 | H8 | 108.5° | 109.5° |
| C06 | C07 | H9 | 108.5° | 109.5° |
| C06 | C07 | H10 | 108.5° | 109.5° |
| C08 | C07 | H9 | 108.5° | 109.5° |
| C08 | C07 | H10 | 108.5° | 109.4° |
| C07 | C08 | H11 | 109.1° | 109.4° |
| C07 | C08 | H12 | 109.2° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | N01 | H4 | 120.0° | 120.0° |
| H7 | C06 | H8 | 109.5° | 109.4° |
| H9 | C07 | H10 | 109.5° | 109.5° |
| H11 | C08 | H12 | 109.5° | 109.5° |
| H13 | C09 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | N01 | N04 | 177.8° | 180.0° |
| O03 | C02 | N04 | C05 | 179.7° | 0.0° |
| O03 | C02 | N01 | H3 | 0.0° | 179.9° |
| O03 | C02 | N01 | H4 | 180.0° | 0.1° |
| O03 | C02 | N04 | H5 | 0.4° | 179.9° |
| N01 | C02 | N04 | C05 | 1.9° | 180.0° |
| C02 | N01 | H3 | H4 | 180.0° | 179.9° |
| N01 | C02 | N04 | H5 | 178.1° | 0.1° |
| C02 | N04 | C05 | H5 | 180.0° | 180.0° |
| C02 | N04 | C05 | C10 | 149.3° | 155.0° |
| C02 | N04 | C05 | C06 | 90.6° | 85.0° |
| N04 | C02 | N01 | H3 | 177.8° | 0.1° |
| N04 | C02 | N01 | H4 | 2.2° | 179.9° |
| C02 | N04 | C05 | H6 | 29.8° | 35.0° |
| N04 | C05 | C10 | C06 | 122.4° | 120.0° |
| N04 | C05 | C10 | H6 | 119.9° | 120.1° |
| N04 | C05 | C06 | H6 | 120.8° | 120.0° |
| N04 | C05 | C10 | C09 | 176.8° | 180.0° |
| N04 | C05 | C06 | C07 | 173.3° | 180.0° |
| N04 | C05 | C10 | H1 | 62.6° | 60.0° |
| N04 | C05 | C10 | H2 | 56.0° | 60.0° |
| N04 | C05 | C06 | H7 | 52.8° | 60.0° |
| N04 | C05 | C06 | H8 | 66.1° | 60.0° |
| C10 | C05 | C06 | H6 | 117.7° | 120.0° |
| C05 | C10 | C09 | H1 | 120.7° | 120.0° |
| C05 | C10 | C09 | H2 | 120.7° | 120.0° |
| C05 | C10 | C09 | C08 | 57.1° | 60.0° |
| C10 | C05 | C06 | C07 | 51.8° | 60.0° |
| C05 | C10 | H1 | H2 | 117.8° | 120.1° |
| C10 | C05 | N04 | H5 | 30.7° | 25.0° |
| C10 | C05 | C06 | H7 | 68.7° | 60.0° |
| C10 | C05 | C06 | H8 | 172.4° | 180.0° |
| C05 | C10 | C09 | H13 | 63.2° | 59.9° |
| C05 | C10 | C09 | H14 | 177.3° | 180.0° |
| C06 | C05 | C10 | C09 | 54.4° | 60.0° |
| C05 | C06 | C07 | H7 | 120.6° | 120.1° |
| C05 | C06 | C07 | H8 | 120.6° | 120.0° |
| C05 | C06 | C07 | C08 | 53.2° | 60.0° |
| C06 | C05 | C10 | H1 | 175.0° | 180.0° |
| C06 | C05 | C10 | H2 | 66.4° | 60.0° |
| C06 | C05 | N04 | H5 | 89.4° | 94.9° |
| C05 | C06 | H7 | H8 | 118.3° | 120.0° |
| C05 | C06 | C07 | H9 | 173.8° | 180.0° |
| C05 | C06 | C07 | H10 | 67.4° | 59.9° |
| C10 | C09 | C08 | H13 | 120.3° | 119.9° |
| C10 | C09 | C08 | H14 | 120.3° | 120.0° |
| C10 | C09 | C08 | C07 | 53.5° | 60.0° |
| C09 | C10 | H1 | H2 | 117.8° | 119.9° |
| C09 | C10 | C05 | H6 | 63.4° | 60.0° |
| C10 | C09 | C08 | H11 | 173.6° | 60.0° |
| C10 | C09 | C08 | H12 | 66.7° | 180.0° |
| C10 | C09 | H13 | H14 | 119.2° | 120.0° |
| C09 | C08 | C07 | C06 | 52.8° | 60.0° |
| C09 | C08 | C07 | H11 | 120.2° | 120.0° |
| C09 | C08 | C07 | H12 | 120.2° | 120.0° |
| C08 | C09 | C10 | H1 | 177.8° | 180.0° |
| C08 | C09 | C10 | H2 | 63.7° | 60.0° |
| C09 | C08 | C07 | H9 | 173.4° | 180.0° |
| C09 | C08 | C07 | H10 | 67.7° | 60.0° |
| C09 | C08 | H11 | H12 | 119.4° | 120.0° |
| C08 | C09 | H13 | H14 | 119.2° | 120.0° |
| C06 | C07 | C08 | H9 | 120.6° | 120.0° |
| C06 | C07 | C08 | H10 | 120.6° | 120.0° |
| C07 | C06 | C05 | H6 | 65.9° | 60.0° |
| C07 | C06 | H7 | H8 | 118.3° | 120.0° |
| C06 | C07 | H9 | H10 | 118.2° | 120.1° |
| C06 | C07 | C08 | H11 | 173.0° | 60.0° |
| C06 | C07 | C08 | H12 | 67.3° | 180.0° |
| C08 | C07 | C06 | H7 | 67.3° | 60.0° |
| C08 | C07 | C06 | H8 | 173.8° | 180.0° |
| C08 | C07 | H9 | H10 | 118.2° | 120.0° |
| C07 | C08 | H11 | H12 | 119.4° | 120.0° |
| C07 | C08 | C09 | H13 | 66.8° | 60.0° |
| C07 | C08 | C09 | H14 | 173.7° | 180.0° |
| H1 | C10 | C05 | H6 | 57.3° | 60.0° |
| H1 | C10 | C09 | H13 | 57.5° | 60.1° |
| H1 | C10 | C09 | H14 | 62.0° | 60.0° |
| H2 | C10 | C05 | H6 | 175.9° | 180.0° |
| H2 | C10 | C09 | H13 | 176.1° | 180.0° |
| H2 | C10 | C09 | H14 | 56.6° | 60.0° |
| H5 | N04 | C05 | H6 | 150.2° | 145.1° |
| H6 | C05 | C06 | H7 | 173.6° | 180.0° |
| H6 | C05 | C06 | H8 | 54.6° | 60.0° |
| H7 | C06 | C07 | H9 | 53.2° | 60.0° |
| H7 | C06 | C07 | H10 | 172.1° | 180.0° |
| H8 | C06 | C07 | H9 | 65.6° | 60.0° |
| H8 | C06 | C07 | H10 | 53.2° | 60.1° |
| H9 | C07 | C08 | H11 | 66.4° | 60.0° |
| H9 | C07 | C08 | H12 | 53.3° | 60.0° |
| H10 | C07 | C08 | H11 | 52.4° | 180.0° |
| H10 | C07 | C08 | H12 | 172.1° | 60.0° |
| H11 | C08 | C09 | H13 | 53.4° | 179.9° |
| H11 | C08 | C09 | H14 | 66.1° | 60.0° |
| H12 | C08 | C09 | H13 | 173.0° | 60.0° |
| H12 | C08 | C09 | H14 | 53.5° | 60.0° |
