YL0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C09 | doub | 1.21Å | 1.26Å | |
| N08 | C07 | sing | 1.47Å | 1.45Å | |
| C09 | O10 | sing | 1.34Å | 1.26Å | |
| C09 | C07 | sing | 1.51Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C04 | CL05 | sing | 1.80Å | 1.78Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| N01 | C02 | sing | 1.47Å | 1.45Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| N01 | H9 | sing | 1.01Å | 1.00Å | |
| N01 | H10 | sing | 1.01Å | 1.00Å | |
| N08 | H12 | sing | 1.01Å | 1.00Å | |
| N08 | H13 | sing | 1.01Å | 1.00Å | |
| O10 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C09 | O10 | 120.1° | 120.0° |
| O11 | C09 | C07 | 119.8° | 120.0° |
| N08 | C07 | C09 | 110.1° | 109.5° |
| N08 | C07 | C06 | 109.8° | 109.5° |
| N08 | C07 | H8 | 109.7° | 109.5° |
| C07 | N08 | H12 | 109.5° | 111.0° |
| C07 | N08 | H13 | 109.5° | 111.0° |
| O10 | C09 | C07 | 120.1° | 120.0° |
| C09 | O10 | H15 | 109.5° | 117.0° |
| C09 | C07 | C06 | 109.7° | 109.5° |
| C09 | C07 | H8 | 108.7° | 109.5° |
| C07 | C06 | C04 | 111.0° | 109.4° |
| C07 | C06 | H6 | 109.1° | 109.4° |
| C07 | C06 | H7 | 109.1° | 109.5° |
| C06 | C07 | H8 | 108.7° | 109.5° |
| C06 | C04 | C03 | 110.4° | 109.4° |
| C06 | C04 | CL05 | 108.9° | 109.5° |
| C06 | C04 | H5 | 110.5° | 109.5° |
| C04 | C06 | H6 | 109.1° | 109.5° |
| C04 | C06 | H7 | 109.1° | 109.5° |
| C03 | C04 | CL05 | 109.2° | 109.4° |
| C04 | C03 | C02 | 111.0° | 109.5° |
| C04 | C03 | H3 | 109.1° | 109.5° |
| C04 | C03 | H4 | 109.1° | 109.5° |
| C03 | C04 | H5 | 110.4° | 109.5° |
| CL05 | C04 | H5 | 107.4° | 109.5° |
| C03 | C02 | N01 | 109.9° | 109.5° |
| C03 | C02 | H1 | 109.4° | 109.5° |
| C03 | C02 | H2 | 109.3° | 109.5° |
| C02 | C03 | H3 | 109.1° | 109.5° |
| C02 | C03 | H4 | 109.1° | 109.4° |
| N01 | C02 | H1 | 109.4° | 109.5° |
| N01 | C02 | H2 | 109.4° | 109.4° |
| C02 | N01 | H9 | 109.5° | 110.9° |
| C02 | N01 | H10 | 109.4° | 111.0° |
| H1 | C02 | H2 | 109.5° | 109.4° |
| H3 | C03 | H4 | 109.5° | 109.5° |
| H6 | C06 | H7 | 109.5° | 109.5° |
| H9 | N01 | H10 | 109.4° | 111.0° |
| H12 | N08 | H13 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C09 | C07 | N08 | 4.0° | 20.0° |
| O11 | C09 | O10 | C07 | 179.8° | 179.9° |
| O11 | C09 | C07 | C06 | 125.0° | 100.0° |
| O11 | C09 | C07 | H8 | 116.2° | 140.0° |
| O11 | C09 | O10 | H15 | 0.0° | 0.1° |
| N08 | C07 | C09 | O10 | 176.3° | 160.0° |
| N08 | C07 | C09 | C06 | 121.0° | 120.0° |
| N08 | C07 | C09 | H8 | 120.2° | 120.0° |
| N08 | C07 | C06 | H8 | 120.1° | 120.0° |
| N08 | C07 | C06 | C04 | 85.6° | 65.0° |
| N08 | C07 | C06 | H6 | 34.6° | 175.0° |
| N08 | C07 | C06 | H7 | 154.1° | 55.0° |
| C07 | N08 | H12 | H13 | 120.0° | 123.9° |
| O10 | C09 | C07 | C06 | 55.3° | 80.0° |
| O10 | C09 | C07 | H8 | 63.5° | 40.0° |
| C09 | C07 | C06 | H8 | 118.8° | 120.0° |
| C09 | C07 | C06 | C04 | 153.3° | 175.0° |
| C09 | C07 | C06 | H6 | 86.5° | 55.0° |
| C09 | C07 | C06 | H7 | 33.0° | 65.0° |
| C09 | C07 | N08 | H12 | 180.0° | 60.0° |
| C09 | C07 | N08 | H13 | 60.0° | 176.1° |
| C07 | C09 | O10 | H15 | 179.8° | 180.0° |
| C07 | C06 | C04 | H6 | 120.2° | 120.0° |
| C07 | C06 | C04 | H7 | 120.2° | 120.0° |
| C07 | C06 | C04 | C03 | 165.8° | 175.0° |
| C07 | C06 | C04 | CL05 | 74.3° | 65.0° |
| C07 | C06 | C04 | H5 | 43.4° | 55.0° |
| C07 | C06 | H6 | H7 | 119.3° | 120.0° |
| C06 | C07 | N08 | H12 | 59.1° | 60.0° |
| C06 | C07 | N08 | H13 | 179.1° | 63.9° |
| C06 | C04 | C03 | CL05 | 119.7° | 120.0° |
| C06 | C04 | C03 | H5 | 122.5° | 120.0° |
| C06 | C04 | CL05 | H5 | 119.6° | 120.0° |
| C06 | C04 | C03 | C02 | 160.7° | 175.0° |
| C06 | C04 | C03 | H3 | 79.1° | 65.0° |
| C06 | C04 | C03 | H4 | 40.5° | 55.1° |
| C04 | C06 | H6 | H7 | 119.3° | 120.0° |
| C04 | C06 | C07 | H8 | 34.5° | 55.0° |
| C03 | C04 | CL05 | H5 | 119.8° | 120.0° |
| C04 | C03 | C02 | H3 | 120.2° | 120.0° |
| C04 | C03 | C02 | H4 | 120.3° | 120.0° |
| C04 | C03 | C02 | N01 | 75.1° | 180.0° |
| C04 | C03 | C02 | H1 | 164.8° | 60.0° |
| C04 | C03 | C02 | H2 | 45.0° | 60.0° |
| C04 | C03 | H3 | H4 | 119.3° | 120.0° |
| C03 | C04 | C06 | H6 | 45.6° | 65.0° |
| C03 | C04 | C06 | H7 | 73.9° | 55.1° |
| CL05 | C04 | C03 | C02 | 41.0° | 65.0° |
| CL05 | C04 | C03 | H3 | 161.3° | 55.0° |
| CL05 | C04 | C03 | H4 | 79.2° | 175.0° |
| CL05 | C04 | C06 | H6 | 165.5° | 54.9° |
| CL05 | C04 | C06 | H7 | 45.9° | 175.0° |
| C03 | C02 | N01 | H1 | 120.1° | 120.1° |
| C03 | C02 | N01 | H2 | 120.1° | 120.0° |
| C03 | C02 | H1 | H2 | 119.8° | 120.0° |
| C02 | C03 | H3 | H4 | 119.3° | 120.0° |
| C02 | C03 | C04 | H5 | 76.8° | 55.0° |
| C03 | C02 | N01 | H9 | 180.0° | 56.0° |
| C03 | C02 | N01 | H10 | 60.0° | 180.0° |
| N01 | C02 | H1 | H2 | 119.8° | 119.9° |
| N01 | C02 | C03 | H3 | 45.1° | 60.0° |
| N01 | C02 | C03 | H4 | 164.6° | 60.0° |
| C02 | N01 | H9 | H10 | 120.0° | 123.9° |
| H1 | C02 | C03 | H3 | 75.0° | 60.0° |
| H1 | C02 | C03 | H4 | 44.6° | 180.0° |
| H1 | C02 | N01 | H9 | 59.9° | 64.0° |
| H1 | C02 | N01 | H10 | 179.9° | 59.9° |
| H2 | C02 | C03 | H3 | 165.2° | 180.0° |
| H2 | C02 | C03 | H4 | 75.3° | 60.0° |
| H2 | C02 | N01 | H9 | 59.9° | 176.1° |
| H2 | C02 | N01 | H10 | 60.0° | 60.0° |
| H3 | C03 | C04 | H5 | 43.4° | 175.0° |
| H4 | C03 | C04 | H5 | 163.0° | 65.0° |
| H5 | C04 | C06 | H6 | 76.8° | 175.0° |
| H5 | C04 | C06 | H7 | 163.6° | 65.0° |
| H6 | C06 | C07 | H8 | 154.7° | 65.0° |
| H7 | C06 | C07 | H8 | 85.8° | 175.0° |
| H8 | C07 | N08 | H12 | 60.4° | 180.0° |
| H8 | C07 | N08 | H13 | 59.6° | 56.1° |
