Y9P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL01 | C03 | sing | 1.74Å | 1.78Å | |
| O01 | C04 | doub | 1.22Å | 1.42Å | |
| C04 | C03 | sing | 1.40Å | 1.38Å | |
| C04 | N01 | sing | 1.35Å | 1.33Å | |
| C03 | C02 | doub | 1.38Å | 1.42Å | |
| C05 | N01 | sing | 1.46Å | 1.45Å | |
| N01 | N02 | sing | 1.40Å | 1.35Å | |
| C02 | N03 | sing | 1.39Å | 1.45Å | |
| C02 | C01 | sing | 1.41Å | 1.42Å | |
| N03 | C06 | sing | 1.47Å | 1.48Å | |
| C07 | C06 | sing | 1.54Å | 1.67Å | |
| C07 | N04 | sing | 1.49Å | 1.34Å | |
| N02 | C01 | doub | 1.30Å | 1.31Å | |
| C06 | C09 | sing | 1.54Å | 1.32Å | |
| N04 | C08 | sing | 1.49Å | 1.57Å | |
| C09 | C08 | sing | 1.54Å | 1.60Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| N03 | H12 | sing | 0.97Å | 1.00Å | |
| N04 | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C03 | C04 | 120.6° | 120.5° |
| CL01 | C03 | C02 | 121.5° | 120.5° |
| O01 | C04 | C03 | 119.4° | 120.2° |
| O01 | C04 | N01 | 120.0° | 120.2° |
| C03 | C04 | N01 | 120.6° | 119.6° |
| C04 | C03 | C02 | 117.9° | 119.0° |
| C04 | N01 | C05 | 118.9° | 119.7° |
| C04 | N01 | N02 | 121.7° | 120.5° |
| C03 | C02 | N03 | 120.6° | 120.3° |
| C03 | C02 | C01 | 118.3° | 119.4° |
| C05 | N01 | N02 | 119.4° | 119.7° |
| N01 | C05 | H2 | 109.5° | 109.5° |
| N01 | C05 | H3 | 109.5° | 109.5° |
| N01 | C05 | H4 | 109.5° | 109.5° |
| N01 | N02 | C01 | 122.1° | 121.0° |
| N03 | C02 | C01 | 121.0° | 120.3° |
| C02 | N03 | C06 | 117.0° | 119.9° |
| C02 | N03 | H12 | 107.5° | 120.1° |
| C02 | C01 | N02 | 119.3° | 120.5° |
| C02 | C01 | H1 | 120.4° | 119.8° |
| N03 | C06 | C07 | 108.7° | 110.4° |
| N03 | C06 | C09 | 109.3° | 110.3° |
| N03 | C06 | H5 | 110.3° | 110.3° |
| C06 | N03 | H12 | 107.6° | 120.0° |
| C06 | C07 | N04 | 106.6° | 104.6° |
| C07 | C06 | C09 | 107.6° | 105.0° |
| C07 | C06 | H5 | 107.8° | 110.3° |
| C06 | C07 | H6 | 110.2° | 110.4° |
| C06 | C07 | H7 | 110.2° | 110.4° |
| C07 | N04 | C08 | 107.5° | 104.2° |
| N04 | C07 | H6 | 110.2° | 110.4° |
| N04 | C07 | H7 | 110.2° | 110.4° |
| C07 | N04 | H13 | 109.9° | 111.0° |
| N02 | C01 | H1 | 120.3° | 119.7° |
| C06 | C09 | C08 | 106.8° | 105.1° |
| C09 | C06 | H5 | 112.9° | 110.3° |
| C06 | C09 | H10 | 110.1° | 110.3° |
| C06 | C09 | H11 | 110.1° | 110.3° |
| N04 | C08 | C09 | 105.4° | 104.6° |
| N04 | C08 | H8 | 110.5° | 110.4° |
| N04 | C08 | H9 | 110.5° | 110.5° |
| C08 | N04 | H13 | 110.0° | 111.0° |
| C09 | C08 | H8 | 110.5° | 110.5° |
| C09 | C08 | H9 | 110.4° | 110.4° |
| C08 | C09 | H10 | 110.1° | 110.3° |
| C08 | C09 | H11 | 110.1° | 110.3° |
| H2 | C05 | H3 | 109.5° | 109.5° |
| H2 | C05 | H4 | 109.5° | 109.4° |
| H3 | C05 | H4 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.5° | 110.4° |
| H8 | C08 | H9 | 109.5° | 110.3° |
| H10 | C09 | H11 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C03 | C04 | O01 | 1.2° | 0.0° |
| CL01 | C03 | C04 | C02 | 179.4° | 180.0° |
| CL01 | C03 | C04 | N01 | 178.9° | 180.0° |
| CL01 | C03 | C02 | N03 | 1.0° | 0.0° |
| CL01 | C03 | C02 | C01 | 179.3° | 180.0° |
| O01 | C04 | C03 | N01 | 179.8° | 180.0° |
| O01 | C04 | C03 | C02 | 179.4° | 180.0° |
| O01 | C04 | N01 | C05 | 0.2° | 0.0° |
| O01 | C04 | N01 | N02 | 179.1° | 179.7° |
| C03 | C04 | N01 | C05 | 179.6° | 180.0° |
| C03 | C04 | N01 | N02 | 0.7° | 0.3° |
| C04 | C03 | C02 | N03 | 179.7° | 180.0° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| N01 | C04 | C03 | C02 | 0.4° | 0.0° |
| C04 | N01 | C05 | N02 | 178.9° | 179.7° |
| C04 | N01 | N02 | C01 | 0.6° | 0.6° |
| C04 | N01 | C05 | H2 | 178.9° | 90.0° |
| C04 | N01 | C05 | H3 | 61.1° | 150.0° |
| C04 | N01 | C05 | H4 | 58.9° | 30.0° |
| C03 | C02 | N03 | C01 | 179.7° | 180.0° |
| C03 | C02 | N03 | C06 | 165.5° | 180.0° |
| C03 | C02 | C01 | N02 | 0.1° | 0.3° |
| C03 | C02 | C01 | H1 | 179.9° | 180.0° |
| C03 | C02 | N03 | H12 | 44.5° | 0.0° |
| C05 | N01 | N02 | C01 | 179.5° | 179.7° |
| N01 | C05 | H2 | H3 | 120.0° | 120.0° |
| N01 | C05 | H2 | H4 | 120.0° | 120.0° |
| N01 | C05 | H3 | H4 | 120.0° | 120.0° |
| N01 | N02 | C01 | C02 | 0.2° | 0.6° |
| N01 | N02 | C01 | H1 | 179.8° | 179.7° |
| N02 | N01 | C05 | H2 | 0.0° | 89.7° |
| N02 | N01 | C05 | H3 | 120.0° | 30.4° |
| N02 | N01 | C05 | H4 | 120.0° | 150.3° |
| C02 | N03 | C06 | H12 | 121.1° | 179.9° |
| C02 | N03 | C06 | C07 | 138.8° | 89.4° |
| N03 | C02 | C01 | N02 | 179.8° | 179.7° |
| C02 | N03 | C06 | C09 | 104.0° | 155.0° |
| N03 | C02 | C01 | H1 | 0.2° | 0.0° |
| C02 | N03 | C06 | H5 | 20.7° | 32.9° |
| C01 | C02 | N03 | C06 | 14.2° | 0.0° |
| C02 | C01 | N02 | H1 | 180.0° | 179.7° |
| C01 | C02 | N03 | H12 | 135.3° | 180.0° |
| N03 | C06 | C07 | C09 | 118.3° | 118.9° |
| N03 | C06 | C07 | H5 | 119.6° | 122.2° |
| N03 | C06 | C07 | N04 | 145.0° | 95.1° |
| N03 | C06 | C09 | H5 | 123.2° | 122.2° |
| N03 | C06 | C09 | C08 | 136.9° | 119.0° |
| N03 | C06 | C07 | H6 | 95.4° | 146.2° |
| N03 | C06 | C07 | H7 | 25.5° | 23.8° |
| N03 | C06 | C09 | H10 | 17.3° | 0.1° |
| N03 | C06 | C09 | H11 | 103.5° | 122.1° |
| C06 | C07 | N04 | H6 | 119.6° | 118.8° |
| C06 | C07 | N04 | H7 | 119.5° | 118.8° |
| C07 | C06 | C09 | H5 | 118.9° | 118.9° |
| C06 | C07 | N04 | C08 | 20.2° | 39.5° |
| C07 | C06 | C09 | C08 | 19.0° | 0.0° |
| C06 | C07 | H6 | H7 | 121.3° | 122.4° |
| C07 | C06 | C09 | H10 | 100.6° | 118.9° |
| C07 | C06 | C09 | H11 | 138.6° | 118.9° |
| C07 | C06 | N03 | H12 | 17.7° | 90.7° |
| C06 | C07 | N04 | H13 | 99.5° | 159.0° |
| N04 | C07 | C06 | C09 | 26.8° | 23.8° |
| C07 | N04 | C08 | H13 | 119.7° | 119.6° |
| C07 | N04 | C08 | C09 | 9.9° | 39.5° |
| N04 | C07 | C06 | H5 | 95.3° | 142.7° |
| N04 | C07 | H6 | H7 | 121.3° | 122.4° |
| C07 | N04 | C08 | H8 | 129.2° | 158.3° |
| C07 | N04 | C08 | H9 | 109.5° | 79.4° |
| C06 | C09 | C08 | N04 | 7.8° | 23.9° |
| C06 | C09 | C08 | H10 | 119.6° | 118.9° |
| C06 | C09 | C08 | H11 | 119.6° | 118.9° |
| C09 | C06 | C07 | H6 | 146.3° | 94.9° |
| C09 | C06 | C07 | H7 | 92.8° | 142.6° |
| C06 | C09 | C08 | H8 | 111.6° | 142.7° |
| C06 | C09 | C08 | H9 | 127.1° | 95.0° |
| C06 | C09 | H10 | H11 | 121.3° | 122.2° |
| C09 | C06 | N03 | H12 | 134.9° | 24.9° |
| N04 | C08 | C09 | H8 | 119.4° | 118.8° |
| N04 | C08 | C09 | H9 | 119.3° | 118.9° |
| C08 | N04 | C07 | H6 | 139.7° | 79.3° |
| C08 | N04 | C07 | H7 | 99.4° | 158.3° |
| N04 | C08 | H8 | H9 | 121.9° | 122.5° |
| N04 | C08 | C09 | H10 | 111.8° | 95.0° |
| N04 | C08 | C09 | H11 | 127.4° | 142.8° |
| C08 | C09 | C06 | H5 | 99.9° | 118.9° |
| C09 | C08 | H8 | H9 | 121.8° | 122.4° |
| C08 | C09 | H10 | H11 | 121.3° | 122.2° |
| C09 | C08 | N04 | H13 | 109.8° | 159.0° |
| H2 | C05 | H3 | H4 | 120.0° | 120.0° |
| H5 | C06 | C07 | H6 | 24.2° | 23.9° |
| H5 | C06 | C07 | H7 | 145.1° | 98.5° |
| H5 | C06 | C09 | H10 | 140.5° | 122.2° |
| H5 | C06 | C09 | H11 | 19.7° | 0.0° |
| H5 | C06 | N03 | H12 | 100.3° | 147.1° |
| H6 | C07 | N04 | H13 | 20.1° | 40.3° |
| H7 | C07 | N04 | H13 | 141.0° | 82.2° |
| H8 | C08 | C09 | H10 | 128.8° | 23.8° |
| H8 | C08 | C09 | H11 | 8.0° | 98.4° |
| H8 | C08 | N04 | H13 | 9.6° | 82.2° |
| H9 | C08 | C09 | H10 | 7.6° | 146.1° |
| H9 | C08 | C09 | H11 | 113.3° | 23.9° |
| H9 | C08 | N04 | H13 | 130.9° | 40.2° |
