USY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F01 | C02 | sing | 1.35Å | 1.35Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.47Å | 1.51Å | |
| C06 | O14 | doub | 1.21Å | 1.18Å | |
| C06 | C07 | sing | 1.51Å | 1.51Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| C08 | C09 | sing | 1.53Å | 1.51Å | |
| C09 | N10 | sing | 1.47Å | 1.44Å | |
| N10 | C11 | sing | 1.38Å | 1.44Å | |
| C11 | N12 | doub | 1.30Å | 1.45Å | |
| C11 | N13 | sing | 1.37Å | 1.26Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| N10 | H11 | sing | 0.97Å | 1.00Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| N13 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | C03 | 118.3° | 119.8° |
| F01 | C02 | C16 | 119.6° | 119.9° |
| C03 | C02 | C16 | 122.1° | 120.3° |
| C02 | C03 | C04 | 118.6° | 120.1° |
| C02 | C03 | H3 | 120.7° | 119.9° |
| C02 | C16 | C15 | 119.2° | 120.2° |
| C02 | C16 | H1 | 120.4° | 119.9° |
| C03 | C04 | C05 | 119.6° | 119.9° |
| C04 | C03 | H3 | 120.7° | 120.0° |
| C03 | C04 | H4 | 120.2° | 120.1° |
| C16 | C15 | C05 | 118.8° | 119.8° |
| C15 | C16 | H1 | 120.4° | 119.9° |
| C16 | C15 | H2 | 120.6° | 120.1° |
| C04 | C05 | C15 | 121.7° | 119.7° |
| C04 | C05 | C06 | 117.4° | 120.2° |
| C05 | C04 | H4 | 120.2° | 120.0° |
| C15 | C05 | C06 | 121.0° | 120.1° |
| C05 | C15 | H2 | 120.6° | 120.1° |
| C05 | C06 | O14 | 118.6° | 120.0° |
| C05 | C06 | C07 | 122.0° | 120.0° |
| O14 | C06 | C07 | 119.4° | 120.0° |
| C06 | C07 | C08 | 108.7° | 109.5° |
| C06 | C07 | H5 | 109.7° | 109.5° |
| C06 | C07 | H6 | 109.6° | 109.5° |
| C07 | C08 | C09 | 108.7° | 109.5° |
| C08 | C07 | H5 | 109.7° | 109.4° |
| C08 | C07 | H6 | 109.7° | 109.5° |
| C07 | C08 | H7 | 109.7° | 109.4° |
| C07 | C08 | H8 | 109.7° | 109.5° |
| C08 | C09 | N10 | 108.2° | 109.5° |
| C09 | C08 | H7 | 109.7° | 109.5° |
| C09 | C08 | H8 | 109.7° | 109.5° |
| C08 | C09 | H9 | 109.8° | 109.5° |
| C08 | C09 | H10 | 109.8° | 109.5° |
| C09 | N10 | C11 | 118.6° | 120.0° |
| N10 | C09 | H9 | 109.8° | 109.4° |
| N10 | C09 | H10 | 109.8° | 109.5° |
| C09 | N10 | H11 | 120.7° | 120.0° |
| N10 | C11 | N12 | 117.8° | 120.0° |
| N10 | C11 | N13 | 120.9° | 120.0° |
| C11 | N10 | H11 | 120.7° | 120.0° |
| N12 | C11 | N13 | 121.3° | 120.0° |
| C11 | N12 | H12 | 112.0° | 120.0° |
| C11 | N13 | H13 | 120.0° | 120.0° |
| C11 | N13 | H14 | 120.0° | 120.0° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H7 | C08 | H8 | 109.4° | 109.5° |
| H9 | C09 | H10 | 109.5° | 109.5° |
| H13 | N13 | H14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C03 | C16 | 179.4° | 180.0° |
| F01 | C02 | C03 | C04 | 179.8° | 180.0° |
| F01 | C02 | C16 | C15 | 179.6° | 180.0° |
| F01 | C02 | C16 | H1 | 0.4° | 0.3° |
| F01 | C02 | C03 | H3 | 0.2° | 0.0° |
| C02 | C03 | C04 | H3 | 180.0° | 180.0° |
| C03 | C02 | C16 | C15 | 0.2° | 0.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.2° |
| C03 | C02 | C16 | H1 | 179.8° | 179.7° |
| C02 | C03 | C04 | H4 | 179.8° | 179.9° |
| C16 | C02 | C03 | C04 | 0.4° | 0.0° |
| C02 | C16 | C15 | H1 | 180.0° | 179.7° |
| C02 | C16 | C15 | C05 | 0.1° | 0.2° |
| C02 | C16 | C15 | H2 | 179.9° | 179.8° |
| C16 | C02 | C03 | H3 | 179.6° | 180.0° |
| C03 | C04 | C05 | H4 | 180.0° | 179.7° |
| C03 | C04 | C05 | C15 | 0.1° | 0.5° |
| C03 | C04 | C05 | C06 | 179.9° | 180.0° |
| C16 | C15 | C05 | C04 | 0.3° | 0.5° |
| C16 | C15 | C05 | H2 | 180.0° | 180.0° |
| C16 | C15 | C05 | C06 | 179.7° | 180.0° |
| C04 | C05 | C15 | C06 | 180.0° | 179.5° |
| C04 | C05 | C06 | O14 | 16.0° | 179.5° |
| C04 | C05 | C06 | C07 | 163.1° | 0.6° |
| C04 | C05 | C15 | H2 | 179.8° | 179.5° |
| C05 | C04 | C03 | H3 | 179.8° | 179.7° |
| C15 | C05 | C06 | O14 | 163.9° | 0.0° |
| C15 | C05 | C06 | C07 | 16.9° | 180.0° |
| C05 | C15 | C16 | H1 | 179.9° | 180.0° |
| C15 | C05 | C04 | H4 | 179.9° | 179.8° |
| C05 | C06 | O14 | C07 | 179.1° | 180.0° |
| C05 | C06 | C07 | C08 | 139.6° | 180.0° |
| C06 | C05 | C15 | H2 | 0.2° | 0.0° |
| C06 | C05 | C04 | H4 | 0.1° | 0.3° |
| C05 | C06 | C07 | H5 | 100.5° | 60.1° |
| C05 | C06 | C07 | H6 | 19.7° | 60.0° |
| O14 | C06 | C07 | C08 | 39.5° | 0.0° |
| O14 | C06 | C07 | H5 | 80.4° | 120.0° |
| O14 | C06 | C07 | H6 | 159.4° | 120.0° |
| C06 | C07 | C08 | H5 | 119.9° | 120.0° |
| C06 | C07 | C08 | H6 | 119.9° | 120.0° |
| C06 | C07 | C08 | C09 | 160.9° | 180.0° |
| C06 | C07 | H5 | H6 | 120.3° | 120.1° |
| C06 | C07 | C08 | H7 | 79.2° | 60.0° |
| C06 | C07 | C08 | H8 | 41.0° | 60.0° |
| C07 | C08 | C09 | H7 | 119.9° | 120.0° |
| C07 | C08 | C09 | H8 | 119.9° | 120.0° |
| C07 | C08 | C09 | N10 | 164.4° | 180.0° |
| C08 | C07 | H5 | H6 | 120.4° | 120.0° |
| C07 | C08 | H7 | H8 | 120.4° | 120.0° |
| C07 | C08 | C09 | H9 | 44.6° | 60.1° |
| C07 | C08 | C09 | H10 | 75.8° | 60.0° |
| C08 | C09 | N10 | H9 | 119.8° | 120.0° |
| C08 | C09 | N10 | H10 | 119.8° | 120.0° |
| C08 | C09 | N10 | C11 | 123.5° | 180.0° |
| C09 | C08 | C07 | H5 | 41.0° | 60.0° |
| C09 | C08 | C07 | H6 | 79.3° | 60.0° |
| C09 | C08 | H7 | H8 | 120.4° | 120.1° |
| C08 | C09 | H9 | H10 | 120.6° | 120.1° |
| C08 | C09 | N10 | H11 | 56.5° | 0.1° |
| C09 | N10 | C11 | H11 | 180.0° | 180.0° |
| C09 | N10 | C11 | N12 | 179.8° | 0.0° |
| C09 | N10 | C11 | N13 | 0.0° | 179.7° |
| N10 | C09 | C08 | H7 | 75.7° | 60.0° |
| N10 | C09 | C08 | H8 | 44.5° | 60.0° |
| N10 | C09 | H9 | H10 | 120.6° | 120.0° |
| N10 | C11 | N12 | N13 | 179.8° | 179.8° |
| C11 | N10 | C09 | H9 | 3.7° | 60.0° |
| C11 | N10 | C09 | H10 | 116.7° | 60.0° |
| N10 | C11 | N12 | H12 | 179.8° | 179.7° |
| N10 | C11 | N13 | H13 | 179.8° | 179.7° |
| N10 | C11 | N13 | H14 | 0.2° | 0.2° |
| N12 | C11 | N10 | H11 | 0.2° | 180.0° |
| N12 | C11 | N13 | H13 | 0.0° | 0.0° |
| N12 | C11 | N13 | H14 | 180.0° | 180.0° |
| N13 | C11 | N10 | H11 | 180.0° | 0.2° |
| N13 | C11 | N12 | H12 | 0.0° | 0.0° |
| C11 | N13 | H13 | H14 | 180.0° | 179.9° |
| H1 | C16 | C15 | H2 | 0.1° | 0.0° |
| H3 | C03 | C04 | H4 | 0.2° | 0.0° |
| H5 | C07 | C08 | H7 | 160.9° | 180.0° |
| H5 | C07 | C08 | H8 | 78.9° | 60.0° |
| H6 | C07 | C08 | H7 | 40.6° | 60.0° |
| H6 | C07 | C08 | H8 | 160.9° | 180.0° |
| H7 | C08 | C09 | H9 | 164.5° | 180.0° |
| H7 | C08 | C09 | H10 | 44.1° | 60.0° |
| H8 | C08 | C09 | H9 | 75.3° | 59.9° |
| H8 | C08 | C09 | H10 | 164.3° | 180.0° |
| H9 | C09 | N10 | H11 | 176.3° | 120.0° |
| H10 | C09 | N10 | H11 | 63.3° | 120.0° |
