GNY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C12 | doub | 1.22Å | 1.27Å | |
| C12 | O13 | sing | 1.35Å | 1.26Å | |
| C12 | C11 | sing | 1.47Å | 1.53Å | |
| C15 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | N16 | doub | 1.31Å | 1.32Å | Aromatic |
| C11 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| N16 | C17 | sing | 1.34Å | 1.35Å | Aromatic |
| C09 | O10 | sing | 1.35Å | 1.20Å | |
| C09 | C08 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C08 | doub | 1.42Å | 1.38Å | Aromatic |
| C17 | C04 | sing | 1.40Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C08 | C07 | sing | 1.40Å | 1.41Å | Aromatic |
| C02 | C04 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | doub | 1.36Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.36Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C07 | H11 | sing | 1.08Å | 1.08Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| O10 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C12 | O13 | 119.8° | 120.0° |
| O14 | C12 | C11 | 119.6° | 120.0° |
| O13 | C12 | C11 | 120.6° | 120.0° |
| C12 | O13 | H13 | 109.5° | 117.0° |
| C12 | C11 | C15 | 118.6° | 120.3° |
| C12 | C11 | C09 | 122.0° | 120.4° |
| C11 | C15 | N16 | 121.0° | 121.6° |
| C15 | C11 | C09 | 119.4° | 119.3° |
| C11 | C15 | H1 | 119.5° | 119.1° |
| C15 | N16 | C17 | 121.5° | 122.0° |
| N16 | C15 | H1 | 119.5° | 119.3° |
| C11 | C09 | O10 | 122.4° | 121.1° |
| C11 | C09 | C08 | 117.7° | 117.8° |
| N16 | C17 | C08 | 120.5° | 120.2° |
| N16 | C17 | C04 | 119.5° | 120.8° |
| O10 | C09 | C08 | 119.9° | 121.1° |
| C09 | O10 | H12 | 109.5° | 114.0° |
| C09 | C08 | C17 | 119.9° | 119.1° |
| C09 | C08 | C07 | 120.0° | 121.2° |
| C08 | C17 | C04 | 120.0° | 119.0° |
| C17 | C08 | C07 | 120.1° | 119.7° |
| C17 | C04 | C02 | 119.9° | 120.0° |
| C17 | C04 | C05 | 119.7° | 119.9° |
| C01 | C02 | C04 | 111.7° | 109.5° |
| C01 | C02 | C03 | 110.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.4° | 109.5° |
| C01 | C02 | H5 | 107.8° | 109.5° |
| C08 | C07 | C06 | 119.8° | 119.6° |
| C08 | C07 | H11 | 120.1° | 120.2° |
| C04 | C02 | C03 | 111.3° | 109.5° |
| C02 | C04 | C05 | 120.3° | 120.1° |
| C04 | C02 | H5 | 107.7° | 109.5° |
| C03 | C02 | H5 | 107.7° | 109.4° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C02 | C03 | H7 | 109.5° | 109.5° |
| C02 | C03 | H8 | 109.4° | 109.5° |
| C04 | C05 | C06 | 120.3° | 121.1° |
| C04 | C05 | H9 | 119.8° | 119.5° |
| C07 | C06 | C05 | 119.9° | 120.8° |
| C07 | C06 | H10 | 120.1° | 119.6° |
| C06 | C07 | H11 | 120.1° | 120.2° |
| C06 | C05 | H9 | 119.9° | 119.4° |
| C05 | C06 | H10 | 120.1° | 119.6° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H6 | C03 | H7 | 109.4° | 109.4° |
| H6 | C03 | H8 | 109.5° | 109.5° |
| H7 | C03 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C12 | O13 | C11 | 179.2° | 180.0° |
| O14 | C12 | C11 | C15 | 28.3° | 180.0° |
| O14 | C12 | C11 | C09 | 150.6° | 0.1° |
| O14 | C12 | O13 | H13 | 0.0° | 0.0° |
| O13 | C12 | C11 | C15 | 152.5° | 0.0° |
| O13 | C12 | C11 | C09 | 28.7° | 179.9° |
| C12 | C11 | C15 | C09 | 178.9° | 179.9° |
| C12 | C11 | C15 | N16 | 179.4° | 180.0° |
| C12 | C11 | C09 | O10 | 1.2° | 0.1° |
| C12 | C11 | C09 | C08 | 179.2° | 180.0° |
| C11 | C12 | O13 | H13 | 179.3° | 180.0° |
| C12 | C11 | C15 | H1 | 0.6° | 0.4° |
| C11 | C15 | N16 | H1 | 180.0° | 179.7° |
| C11 | C15 | N16 | C17 | 0.3° | 0.0° |
| C15 | C11 | C09 | O10 | 179.9° | 180.0° |
| C15 | C11 | C09 | C08 | 0.3° | 0.1° |
| N16 | C15 | C11 | C09 | 0.5° | 0.0° |
| C15 | N16 | C17 | C08 | 0.1° | 0.0° |
| C15 | N16 | C17 | C04 | 179.8° | 180.0° |
| C11 | C09 | O10 | C08 | 179.6° | 179.9° |
| C11 | C09 | C08 | C17 | 0.1° | 0.0° |
| C11 | C09 | C08 | C07 | 179.9° | 180.0° |
| C09 | C11 | C15 | H1 | 179.5° | 179.7° |
| C11 | C09 | O10 | H12 | 180.0° | 90.1° |
| N16 | C17 | C08 | C09 | 0.3° | 0.0° |
| N16 | C17 | C08 | C04 | 179.9° | 180.0° |
| N16 | C17 | C08 | C07 | 179.9° | 180.0° |
| N16 | C17 | C04 | C02 | 0.3° | 0.1° |
| N16 | C17 | C04 | C05 | 179.9° | 180.0° |
| C17 | N16 | C15 | H1 | 179.7° | 179.7° |
| O10 | C09 | C08 | C17 | 179.5° | 180.0° |
| O10 | C09 | C08 | C07 | 0.3° | 0.1° |
| C09 | C08 | C17 | C07 | 179.8° | 180.0° |
| C09 | C08 | C17 | C04 | 179.6° | 180.0° |
| C09 | C08 | C07 | C06 | 179.7° | 180.0° |
| C09 | C08 | C07 | H11 | 0.3° | 0.1° |
| C08 | C09 | O10 | H12 | 0.4° | 90.0° |
| C08 | C17 | C04 | C02 | 179.8° | 180.0° |
| C08 | C17 | C04 | C05 | 0.2° | 0.0° |
| C17 | C08 | C07 | C06 | 0.1° | 0.0° |
| C17 | C08 | C07 | H11 | 179.9° | 180.0° |
| C17 | C04 | C02 | C01 | 93.5° | 120.0° |
| C04 | C17 | C08 | C07 | 0.1° | 0.0° |
| C17 | C04 | C02 | C05 | 179.6° | 179.9° |
| C17 | C04 | C02 | C03 | 142.5° | 120.0° |
| C17 | C04 | C05 | C06 | 0.2° | 0.0° |
| C17 | C04 | C02 | H5 | 24.6° | 0.1° |
| C17 | C04 | C05 | H9 | 179.8° | 180.0° |
| C01 | C02 | C04 | C03 | 124.0° | 120.0° |
| C01 | C02 | C04 | H5 | 118.1° | 120.1° |
| C01 | C02 | C03 | H5 | 117.4° | 120.0° |
| C01 | C02 | C04 | C05 | 86.0° | 59.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | C02 | C03 | H6 | 180.0° | 60.0° |
| C01 | C02 | C03 | H7 | 60.0° | 180.0° |
| C01 | C02 | C03 | H8 | 60.0° | 60.0° |
| C08 | C07 | C06 | H11 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.2° | 0.1° |
| C08 | C07 | C06 | H10 | 179.8° | 179.9° |
| C04 | C02 | C03 | H5 | 117.9° | 120.0° |
| C02 | C04 | C05 | C06 | 179.8° | 180.0° |
| C04 | C02 | C01 | H2 | 180.0° | 60.1° |
| C04 | C02 | C01 | H3 | 60.0° | 60.0° |
| C04 | C02 | C01 | H4 | 60.0° | 180.0° |
| C04 | C02 | C03 | H6 | 55.3° | 60.0° |
| C04 | C02 | C03 | H7 | 175.3° | 60.0° |
| C04 | C02 | C03 | H8 | 64.7° | 180.0° |
| C02 | C04 | C05 | H9 | 0.2° | 0.1° |
| C03 | C02 | C04 | C05 | 38.0° | 60.0° |
| C03 | C02 | C01 | H2 | 55.5° | 179.9° |
| C03 | C02 | C01 | H3 | 175.5° | 59.9° |
| C03 | C02 | C01 | H4 | 64.5° | 60.0° |
| C02 | C03 | H6 | H7 | 120.0° | 120.0° |
| C02 | C03 | H6 | H8 | 120.0° | 120.0° |
| C02 | C03 | H7 | H8 | 120.0° | 120.0° |
| C04 | C05 | C06 | C07 | 0.2° | 0.1° |
| C04 | C05 | C06 | H9 | 180.0° | 179.9° |
| C05 | C04 | C02 | H5 | 155.8° | 180.0° |
| C04 | C05 | C06 | H10 | 179.8° | 179.9° |
| C07 | C06 | C05 | H10 | 180.0° | 180.0° |
| C07 | C06 | C05 | H9 | 179.8° | 180.0° |
| C05 | C06 | C07 | H11 | 179.8° | 180.0° |
| H2 | C01 | H3 | H4 | 120.0° | 119.9° |
| H2 | C01 | C02 | H5 | 61.9° | 60.0° |
| H3 | C01 | C02 | H5 | 58.1° | 179.9° |
| H4 | C01 | C02 | H5 | 178.1° | 60.0° |
| H5 | C02 | C03 | H6 | 62.6° | 180.0° |
| H5 | C02 | C03 | H7 | 57.4° | 60.0° |
| H5 | C02 | C03 | H8 | 177.4° | 60.0° |
| H6 | C03 | H7 | H8 | 120.0° | 120.0° |
| H9 | C05 | C06 | H10 | 0.2° | 0.0° |
| H10 | C06 | C07 | H11 | 0.2° | 0.0° |
