GY5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C04 | doub | 1.22Å | 1.21Å | |
| C | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| O01 | C03 | sing | 1.36Å | 1.31Å | |
| C04 | C03 | sing | 1.47Å | 1.52Å | |
| C04 | N02 | sing | 1.35Å | 1.43Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.38Å | |
| C16 | O1 | sing | 1.36Å | 1.40Å | |
| C16 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| O1 | C12 | sing | 1.43Å | 1.44Å | |
| N02 | C01 | sing | 1.36Å | 1.37Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.65Å | |
| C02 | N01 | sing | 1.34Å | 1.43Å | |
| C02 | C05 | sing | 1.48Å | 1.56Å | |
| C01 | N01 | doub | 1.30Å | 1.32Å | |
| C01 | C09 | sing | 1.51Å | 1.56Å | |
| O03 | C05 | doub | 1.22Å | 1.19Å | |
| C05 | N03 | sing | 1.35Å | 1.42Å | |
| C09 | N | sing | 1.47Å | 1.49Å | |
| C09 | C08 | sing | 1.54Å | 1.55Å | |
| C11 | N | sing | 1.35Å | 1.46Å | |
| C11 | O | doub | 1.21Å | 1.18Å | |
| N | C10 | sing | 1.48Å | 1.49Å | |
| C08 | C07 | sing | 1.55Å | 1.53Å | |
| N03 | C06 | sing | 1.47Å | 1.50Å | |
| C06 | C1 | sing | 1.53Å | 1.59Å | |
| C18 | O11 | sing | 1.43Å | 1.43Å | |
| C10 | C07 | sing | 1.55Å | 1.55Å | |
| C1 | O11 | sing | 1.43Å | 1.44Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H03 | sing | 1.09Å | 1.10Å | |
| C07 | H05 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H07 | sing | 1.09Å | 1.10Å | |
| C08 | H06 | sing | 1.09Å | 1.10Å | |
| C09 | H08 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H09 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H120 | sing | 1.08Å | 1.08Å | |
| C14 | H130 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| N02 | H01 | sing | 0.97Å | 1.00Å | |
| N03 | H04 | sing | 0.97Å | 1.00Å | |
| O01 | H02 | sing | 0.97Å | 0.95Å | |
| C18 | H112 | sing | 1.09Å | 1.10Å | |
| C18 | H111 | sing | 1.09Å | 1.10Å | |
| C18 | H113 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C04 | C03 | 125.7° | 121.1° |
| O02 | C04 | N02 | 120.6° | 121.0° |
| C17 | C | C13 | 121.6° | 120.1° |
| C | C17 | C16 | 121.2° | 119.9° |
| C17 | C | H | 119.2° | 119.9° |
| C | C17 | H15 | 119.4° | 120.1° |
| C | C13 | C14 | 118.2° | 120.1° |
| C13 | C | H | 119.2° | 120.0° |
| C | C13 | H120 | 120.9° | 119.9° |
| C17 | C16 | O1 | 120.9° | 120.0° |
| C17 | C16 | C15 | 116.5° | 119.9° |
| C16 | C17 | H15 | 119.4° | 120.0° |
| O01 | C03 | C04 | 115.0° | 121.1° |
| O01 | C03 | C02 | 124.1° | 121.1° |
| C03 | O01 | H02 | 109.5° | 114.0° |
| C03 | C04 | N02 | 113.7° | 118.0° |
| C04 | C03 | C02 | 120.9° | 117.7° |
| C04 | N02 | C01 | 121.8° | 120.1° |
| C04 | N02 | H01 | 119.1° | 120.0° |
| C13 | C14 | C15 | 120.4° | 120.1° |
| C14 | C13 | H120 | 120.9° | 120.0° |
| C13 | C14 | H130 | 119.8° | 120.0° |
| C03 | C02 | N01 | 119.4° | 119.5° |
| C03 | C02 | C05 | 124.9° | 120.3° |
| O1 | C16 | C15 | 122.6° | 120.1° |
| C16 | O1 | C12 | 118.0° | 117.0° |
| C16 | C15 | C14 | 122.2° | 120.0° |
| C16 | C15 | H14 | 118.9° | 120.0° |
| O1 | C12 | C11 | 114.2° | 109.5° |
| O1 | C12 | H2 | 108.3° | 109.5° |
| O1 | C12 | H3 | 108.3° | 109.4° |
| N02 | C01 | N01 | 124.1° | 122.6° |
| N02 | C01 | C09 | 113.6° | 118.7° |
| C01 | N02 | H01 | 119.1° | 119.9° |
| C15 | C14 | H130 | 119.8° | 120.0° |
| C14 | C15 | H14 | 118.9° | 120.0° |
| C12 | C11 | N | 120.6° | 120.0° |
| C12 | C11 | O | 122.1° | 120.0° |
| C11 | C12 | H2 | 108.2° | 109.5° |
| C11 | C12 | H3 | 108.3° | 109.5° |
| N01 | C02 | C05 | 115.8° | 120.3° |
| C02 | N01 | C01 | 120.1° | 122.2° |
| C02 | C05 | O03 | 122.2° | 120.0° |
| C02 | C05 | N03 | 116.4° | 120.0° |
| N01 | C01 | C09 | 122.4° | 118.7° |
| C01 | C09 | N | 115.7° | 109.9° |
| C01 | C09 | C08 | 107.4° | 109.9° |
| C01 | C09 | H08 | 109.4° | 109.9° |
| O03 | C05 | N03 | 121.3° | 120.0° |
| C05 | N03 | C06 | 126.7° | 120.0° |
| C05 | N03 | H04 | 116.6° | 120.1° |
| N | C09 | C08 | 104.3° | 107.3° |
| C09 | N | C11 | 122.7° | 125.6° |
| C09 | N | C10 | 108.3° | 108.7° |
| N | C09 | H08 | 110.4° | 109.9° |
| C09 | C08 | C07 | 106.5° | 103.0° |
| C09 | C08 | H07 | 110.2° | 110.7° |
| C09 | C08 | H06 | 110.2° | 110.8° |
| C08 | C09 | H08 | 109.5° | 110.0° |
| N | C11 | O | 117.3° | 120.0° |
| C11 | N | C10 | 128.9° | 125.7° |
| N | C10 | C07 | 108.2° | 104.8° |
| N | C10 | H1 | 109.8° | 110.4° |
| N | C10 | H09 | 109.8° | 110.3° |
| C08 | C07 | C10 | 104.7° | 101.6° |
| C08 | C07 | H05 | 110.7° | 111.0° |
| C08 | C07 | H11 | 110.7° | 111.0° |
| C07 | C08 | H07 | 110.2° | 110.8° |
| C07 | C08 | H06 | 110.2° | 110.8° |
| N03 | C06 | C1 | 112.8° | 109.4° |
| N03 | C06 | H10 | 108.6° | 109.5° |
| N03 | C06 | H03 | 108.6° | 109.5° |
| C06 | N03 | H04 | 116.6° | 120.0° |
| C06 | C1 | O11 | 112.1° | 109.5° |
| C1 | C06 | H10 | 108.6° | 109.5° |
| C1 | C06 | H03 | 108.6° | 109.5° |
| C06 | C1 | H13 | 108.8° | 109.4° |
| C06 | C1 | H12 | 108.8° | 109.5° |
| C18 | O11 | C1 | 116.0° | 114.0° |
| O11 | C18 | H112 | 109.5° | 109.4° |
| O11 | C18 | H111 | 109.4° | 109.5° |
| O11 | C18 | H113 | 109.5° | 109.5° |
| C10 | C07 | H05 | 110.7° | 111.0° |
| C10 | C07 | H11 | 110.6° | 111.0° |
| C07 | C10 | H1 | 109.8° | 110.4° |
| C07 | C10 | H09 | 109.8° | 110.4° |
| O11 | C1 | H13 | 108.8° | 109.5° |
| O11 | C1 | H12 | 108.8° | 109.5° |
| H10 | C06 | H03 | 109.5° | 109.5° |
| H05 | C07 | H11 | 109.5° | 110.9° |
| H07 | C08 | H06 | 109.5° | 110.6° |
| H13 | C1 | H12 | 109.5° | 109.5° |
| H1 | C10 | H09 | 109.5° | 110.4° |
| H2 | C12 | H3 | 109.4° | 109.4° |
| H112 | C18 | H111 | 109.5° | 109.5° |
| H112 | C18 | H113 | 109.5° | 109.4° |
| H111 | C18 | H113 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C04 | C03 | O01 | 0.1° | 0.5° |
| O02 | C04 | C03 | N02 | 179.5° | 179.3° |
| O02 | C04 | C03 | C02 | 179.6° | 180.0° |
| O02 | C04 | N02 | C01 | 179.7° | 179.8° |
| O02 | C04 | N02 | H01 | 0.4° | 0.3° |
| C17 | C | C13 | H | 180.0° | 179.7° |
| C | C17 | C16 | H15 | 180.0° | 180.0° |
| C17 | C | C13 | C14 | 0.0° | 0.0° |
| C | C17 | C16 | O1 | 180.0° | 180.0° |
| C | C17 | C16 | C15 | 0.3° | 0.0° |
| C17 | C | C13 | H120 | 180.0° | 180.0° |
| C13 | C | C17 | C16 | 0.2° | 0.0° |
| C | C13 | C14 | H120 | 180.0° | 180.0° |
| C | C13 | C14 | C15 | 0.1° | 0.0° |
| C | C13 | C14 | H130 | 179.9° | 180.0° |
| C13 | C | C17 | H15 | 179.8° | 180.0° |
| C17 | C16 | O1 | C15 | 179.8° | 180.0° |
| C17 | C16 | O1 | C12 | 85.6° | 5.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | C17 | C | H | 179.8° | 179.7° |
| C17 | C16 | C15 | H14 | 179.8° | 179.9° |
| O01 | C03 | C04 | C02 | 179.7° | 179.5° |
| O01 | C03 | C04 | N02 | 179.6° | 179.8° |
| O01 | C03 | C02 | N01 | 179.6° | 179.9° |
| O01 | C03 | C02 | C05 | 0.2° | 0.1° |
| C03 | C04 | N02 | C01 | 0.2° | 0.5° |
| C04 | C03 | C02 | N01 | 0.1° | 0.5° |
| C04 | C03 | C02 | C05 | 179.8° | 179.5° |
| C03 | C04 | N02 | H01 | 179.9° | 179.5° |
| C04 | C03 | O01 | H02 | 0.0° | 0.6° |
| N02 | C04 | C03 | C02 | 0.1° | 0.7° |
| C04 | N02 | C01 | H01 | 180.0° | 180.0° |
| C04 | N02 | C01 | N01 | 0.2° | 0.0° |
| C04 | N02 | C01 | C09 | 179.9° | 179.7° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | H130 | 180.0° | 180.0° |
| C14 | C13 | C | H | 180.0° | 179.7° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C03 | C02 | N01 | C05 | 179.8° | 180.0° |
| C03 | C02 | N01 | C01 | 0.1° | 0.1° |
| C03 | C02 | C05 | O03 | 0.6° | 5.3° |
| C03 | C02 | C05 | N03 | 180.0° | 174.7° |
| C02 | C03 | O01 | H02 | 179.7° | 180.0° |
| O1 | C16 | C15 | C14 | 180.0° | 180.0° |
| C16 | O1 | C12 | C11 | 65.4° | 175.8° |
| C16 | O1 | C12 | H2 | 55.3° | 64.2° |
| C16 | O1 | C12 | H3 | 173.9° | 55.7° |
| O1 | C16 | C15 | H14 | 0.1° | 0.1° |
| O1 | C16 | C17 | H15 | 0.1° | 0.0° |
| C15 | C16 | O1 | C12 | 94.2° | 175.0° |
| C16 | C15 | C14 | H14 | 180.0° | 179.9° |
| C16 | C15 | C14 | H130 | 180.0° | 180.0° |
| C15 | C16 | C17 | H15 | 179.7° | 180.0° |
| O1 | C12 | C11 | H2 | 120.7° | 120.0° |
| O1 | C12 | C11 | H3 | 120.7° | 120.0° |
| O1 | C12 | C11 | N | 125.4° | 174.9° |
| O1 | C12 | C11 | O | 55.8° | 5.2° |
| O1 | C12 | H2 | H3 | 117.8° | 119.9° |
| N02 | C01 | N01 | C02 | 0.1° | 0.3° |
| N02 | C01 | N01 | C09 | 179.9° | 179.7° |
| N02 | C01 | C09 | N | 148.8° | 63.9° |
| N02 | C01 | C09 | C08 | 95.2° | 53.9° |
| N02 | C01 | C09 | H08 | 23.5° | 175.1° |
| C15 | C14 | C13 | H120 | 179.9° | 180.0° |
| C12 | C11 | N | C09 | 2.2° | 175.1° |
| C12 | C11 | N | O | 178.8° | 179.9° |
| C12 | C11 | N | C10 | 179.7° | 5.2° |
| C11 | C12 | H2 | H3 | 117.8° | 120.1° |
| C02 | N01 | C01 | C09 | 180.0° | 180.0° |
| N01 | C02 | C05 | O03 | 179.2° | 174.7° |
| N01 | C02 | C05 | N03 | 0.3° | 5.3° |
| C05 | C02 | N01 | C01 | 179.8° | 179.9° |
| C02 | C05 | O03 | N03 | 179.4° | 180.0° |
| C02 | C05 | N03 | C06 | 179.5° | 174.9° |
| C02 | C05 | N03 | H04 | 0.5° | 5.0° |
| N01 | C01 | C09 | N | 31.2° | 116.4° |
| N01 | C01 | C09 | C08 | 84.7° | 125.8° |
| N01 | C01 | C09 | H08 | 156.6° | 4.6° |
| N01 | C01 | N02 | H01 | 179.9° | 179.9° |
| C01 | C09 | N | C08 | 117.7° | 119.5° |
| C01 | C09 | N | H08 | 124.8° | 121.0° |
| C01 | C09 | C08 | H08 | 118.6° | 121.1° |
| C01 | C09 | N | C11 | 86.7° | 61.9° |
| C01 | C09 | N | C10 | 91.3° | 118.4° |
| C01 | C09 | C08 | C07 | 94.8° | 141.6° |
| C01 | C09 | C08 | H07 | 24.7° | 100.0° |
| C01 | C09 | C08 | H06 | 145.6° | 23.1° |
| C09 | C01 | N02 | H01 | 0.1° | 0.3° |
| O03 | C05 | N03 | C06 | 1.0° | 5.1° |
| O03 | C05 | N03 | H04 | 179.0° | 175.0° |
| C05 | N03 | C06 | H04 | 180.0° | 179.9° |
| C05 | N03 | C06 | C1 | 143.9° | 175.0° |
| C05 | N03 | C06 | H10 | 23.5° | 65.0° |
| C05 | N03 | C06 | H03 | 95.6° | 55.0° |
| N | C09 | C08 | H08 | 118.1° | 119.5° |
| C09 | N | C11 | C10 | 177.5° | 179.7° |
| C09 | N | C11 | O | 179.0° | 5.0° |
| N | C09 | C08 | C07 | 28.4° | 22.2° |
| C09 | N | C10 | C07 | 14.7° | 24.1° |
| N | C09 | C08 | H07 | 147.9° | 140.6° |
| N | C09 | C08 | H06 | 91.1° | 96.3° |
| C09 | N | C10 | H1 | 134.5° | 143.0° |
| C09 | N | C10 | H09 | 105.1° | 94.7° |
| C08 | C09 | N | C11 | 155.6° | 178.6° |
| C08 | C09 | N | C10 | 26.4° | 1.1° |
| C09 | C08 | C07 | H07 | 119.5° | 118.4° |
| C09 | C08 | C07 | H06 | 119.5° | 118.5° |
| C09 | C08 | C07 | C10 | 19.4° | 35.5° |
| C09 | C08 | C07 | H05 | 99.9° | 153.5° |
| C09 | C08 | C07 | H11 | 138.6° | 82.6° |
| C09 | C08 | H07 | H06 | 121.4° | 123.2° |
| C11 | N | C10 | C07 | 167.5° | 155.6° |
| C11 | N | C09 | H08 | 38.1° | 59.1° |
| C11 | N | C10 | H1 | 47.7° | 36.7° |
| C11 | N | C10 | H09 | 72.7° | 85.6° |
| N | C11 | C12 | H2 | 4.7° | 54.9° |
| N | C11 | C12 | H3 | 113.8° | 65.1° |
| O | C11 | N | C10 | 1.5° | 174.7° |
| O | C11 | C12 | H2 | 176.5° | 125.2° |
| O | C11 | C12 | H3 | 64.9° | 114.8° |
| N | C10 | C07 | C08 | 3.4° | 37.0° |
| N | C10 | C07 | H1 | 119.8° | 118.9° |
| N | C10 | C07 | H09 | 119.8° | 118.8° |
| N | C10 | C07 | H05 | 115.8° | 155.0° |
| N | C10 | C07 | H11 | 122.7° | 81.1° |
| C10 | N | C09 | H08 | 143.9° | 120.6° |
| N | C10 | H1 | H09 | 120.6° | 122.2° |
| C08 | C07 | C10 | H05 | 119.3° | 118.1° |
| C08 | C07 | C10 | H11 | 119.3° | 118.1° |
| C08 | C07 | H05 | H11 | 122.2° | 123.9° |
| C07 | C08 | H07 | H06 | 121.4° | 123.2° |
| C07 | C08 | C09 | H08 | 146.5° | 97.3° |
| C08 | C07 | C10 | H1 | 116.4° | 155.8° |
| C08 | C07 | C10 | H09 | 123.2° | 81.8° |
| N03 | C06 | C1 | H10 | 120.5° | 120.0° |
| N03 | C06 | C1 | H03 | 120.5° | 120.0° |
| N03 | C06 | C1 | O11 | 33.6° | 64.4° |
| N03 | C06 | H10 | H03 | 118.5° | 120.0° |
| N03 | C06 | C1 | H13 | 86.8° | 175.6° |
| N03 | C06 | C1 | H12 | 154.0° | 55.6° |
| C06 | C1 | O11 | C18 | 92.9° | 175.0° |
| C06 | C1 | O11 | H13 | 120.4° | 120.0° |
| C06 | C1 | O11 | H12 | 120.4° | 120.0° |
| C1 | C06 | H10 | H03 | 118.4° | 120.0° |
| C06 | C1 | H13 | H12 | 118.8° | 120.0° |
| C1 | C06 | N03 | H04 | 36.0° | 4.9° |
| C18 | O11 | C1 | H13 | 27.4° | 65.0° |
| C18 | O11 | C1 | H12 | 146.7° | 55.0° |
| O11 | C18 | H112 | H111 | 120.0° | 120.1° |
| O11 | C18 | H112 | H113 | 120.0° | 119.9° |
| O11 | C18 | H111 | H113 | 120.0° | 120.0° |
| C10 | C07 | H05 | H11 | 122.2° | 123.9° |
| C10 | C07 | C08 | H07 | 138.9° | 153.8° |
| C10 | C07 | C08 | H06 | 100.2° | 83.0° |
| C07 | C10 | H1 | H09 | 120.6° | 122.3° |
| O11 | C1 | C06 | H10 | 154.1° | 175.6° |
| O11 | C1 | C06 | H03 | 86.9° | 55.6° |
| O11 | C1 | H13 | H12 | 118.8° | 120.0° |
| C1 | O11 | C18 | H112 | 180.0° | 55.1° |
| C1 | O11 | C18 | H111 | 60.0° | 65.0° |
| C1 | O11 | C18 | H113 | 60.0° | 175.0° |
| H | C | C13 | H120 | 0.0° | 0.3° |
| H | C | C17 | H15 | 0.2° | 0.3° |
| H10 | C06 | C1 | H13 | 33.7° | 55.6° |
| H10 | C06 | C1 | H12 | 85.5° | 64.3° |
| H10 | C06 | N03 | H04 | 156.5° | 115.1° |
| H03 | C06 | C1 | H13 | 152.7° | 64.4° |
| H03 | C06 | C1 | H12 | 33.5° | 175.6° |
| H03 | C06 | N03 | H04 | 84.5° | 124.9° |
| H05 | C07 | C08 | H07 | 19.7° | 88.1° |
| H05 | C07 | C08 | H06 | 140.6° | 35.0° |
| H05 | C07 | C10 | H1 | 124.4° | 86.1° |
| H05 | C07 | C10 | H09 | 4.0° | 36.3° |
| H11 | C07 | C08 | H07 | 101.9° | 35.8° |
| H11 | C07 | C08 | H06 | 19.1° | 158.9° |
| H11 | C07 | C10 | H1 | 2.9° | 37.8° |
| H11 | C07 | C10 | H09 | 117.5° | 160.1° |
| H07 | C08 | C09 | H08 | 93.9° | 21.1° |
| H06 | C08 | C09 | H08 | 27.0° | 144.2° |
| H120 | C13 | C14 | H130 | 0.1° | 0.0° |
| H130 | C14 | C15 | H14 | 0.0° | 0.0° |
| H112 | C18 | H111 | H113 | 120.0° | 120.0° |
