YG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C20 | sing | 1.51Å | 1.48Å | |
| C20 | O21 | doub | 1.21Å | 1.22Å | |
| C20 | N19 | sing | 1.35Å | 1.37Å | |
| N19 | C16 | sing | 1.40Å | 1.39Å | |
| C17 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.35Å | Aromatic |
| O01 | C02 | sing | 1.43Å | 1.41Å | |
| C16 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.34Å | Aromatic |
| C13 | C23 | sing | 1.51Å | 1.47Å | |
| C14 | O27 | sing | 1.35Å | 1.37Å | |
| C23 | N24 | sing | 1.46Å | 1.44Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| O27 | C26 | sing | 1.41Å | 1.39Å | |
| C04 | C05 | sing | 1.47Å | 1.48Å | |
| N24 | C25 | sing | 1.34Å | 1.31Å | Aromatic |
| N24 | N28 | sing | 1.41Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.43Å | |
| C25 | C30 | doub | 1.36Å | 1.36Å | Aromatic |
| N28 | C29 | doub | 1.31Å | 1.34Å | Aromatic |
| C05 | C06 | trip | 1.17Å | 1.20Å | |
| C06 | C09 | sing | 1.43Å | 1.41Å | |
| C30 | C29 | sing | 1.41Å | 1.40Å | Aromatic |
| C29 | C10 | sing | 1.48Å | 1.50Å | |
| C09 | C10 | doub | 1.41Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C07 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C20 | O21 | 126.0° | 120.0° |
| C22 | C20 | N19 | 118.1° | 120.0° |
| C20 | C22 | H222 | 109.5° | 109.5° |
| C20 | C22 | H223 | 109.5° | 109.5° |
| C20 | C22 | H221 | 109.4° | 109.5° |
| O21 | C20 | N19 | 115.9° | 120.1° |
| C20 | N19 | C16 | 125.9° | 120.0° |
| C20 | N19 | H191 | 117.1° | 120.0° |
| N19 | C16 | C17 | 113.0° | 119.9° |
| N19 | C16 | C15 | 122.3° | 120.0° |
| C16 | N19 | H191 | 117.0° | 119.9° |
| C16 | C17 | C18 | 121.7° | 119.7° |
| C17 | C16 | C15 | 124.6° | 120.1° |
| C16 | C17 | H171 | 119.2° | 120.1° |
| C17 | C18 | C13 | 116.6° | 120.0° |
| C18 | C17 | H171 | 119.2° | 120.2° |
| C17 | C18 | H181 | 121.7° | 120.0° |
| O01 | C02 | C03 | 112.9° | 109.5° |
| O01 | C02 | H021 | 108.6° | 109.5° |
| O01 | C02 | H022 | 108.6° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C16 | C15 | C14 | 109.2° | 120.1° |
| C16 | C15 | H151 | 125.4° | 119.9° |
| C18 | C13 | C14 | 118.1° | 120.9° |
| C18 | C13 | C23 | 130.3° | 120.0° |
| C13 | C18 | H181 | 121.7° | 120.0° |
| C02 | C03 | C04 | 117.4° | 109.5° |
| C03 | C02 | H021 | 108.6° | 109.4° |
| C03 | C02 | H022 | 108.6° | 109.4° |
| C02 | C03 | H031 | 107.5° | 109.5° |
| C02 | C03 | H032 | 107.5° | 109.4° |
| C15 | C14 | C13 | 129.8° | 119.1° |
| C15 | C14 | O27 | 103.6° | 118.8° |
| C14 | C15 | H151 | 125.4° | 120.0° |
| C14 | C13 | C23 | 111.5° | 119.1° |
| C13 | C14 | O27 | 126.6° | 122.1° |
| C13 | C23 | N24 | 130.6° | 111.7° |
| C13 | C23 | H231 | 103.9° | 109.0° |
| C13 | C23 | H232 | 104.0° | 109.0° |
| C14 | O27 | C26 | 137.4° | 119.1° |
| C23 | N24 | C25 | 123.0° | 129.3° |
| C23 | N24 | N28 | 123.0° | 122.8° |
| N24 | C23 | H231 | 104.0° | 109.1° |
| N24 | C23 | H232 | 104.0° | 109.0° |
| C03 | C04 | C05 | 117.5° | 109.5° |
| C04 | C03 | H031 | 107.5° | 109.4° |
| C04 | C03 | H032 | 107.5° | 109.5° |
| C03 | C04 | H041 | 107.5° | 109.4° |
| C03 | C04 | H042 | 107.4° | 109.5° |
| O27 | C26 | C25 | 121.4° | 111.9° |
| O27 | C26 | H262 | 106.4° | 109.0° |
| O27 | C26 | H261 | 106.4° | 108.9° |
| C04 | C05 | C06 | 179.9° | 179.9° |
| C05 | C04 | H041 | 107.4° | 109.5° |
| C05 | C04 | H042 | 107.4° | 109.5° |
| C25 | N24 | N28 | 113.9° | 107.8° |
| N24 | C25 | C26 | 122.0° | 128.7° |
| N24 | C25 | C30 | 106.8° | 108.1° |
| N24 | N28 | C29 | 101.8° | 108.3° |
| C26 | C25 | C30 | 131.1° | 123.2° |
| C25 | C26 | H262 | 106.4° | 109.0° |
| C25 | C26 | H261 | 106.4° | 109.0° |
| C25 | C30 | C29 | 105.9° | 107.9° |
| C25 | C30 | H301 | 127.0° | 126.0° |
| N28 | C29 | C30 | 111.4° | 107.8° |
| N28 | C29 | C10 | 128.5° | 126.1° |
| C05 | C06 | C09 | 179.3° | 179.9° |
| C06 | C09 | C10 | 124.5° | 120.2° |
| C06 | C09 | C08 | 112.6° | 120.2° |
| C30 | C29 | C10 | 119.9° | 126.1° |
| C29 | C30 | H301 | 127.0° | 126.1° |
| C29 | C10 | C09 | 111.2° | 120.2° |
| C29 | C10 | C11 | 128.3° | 120.2° |
| C10 | C09 | C08 | 122.9° | 119.6° |
| C09 | C10 | C11 | 120.5° | 119.6° |
| C09 | C08 | C07 | 116.3° | 120.0° |
| C09 | C08 | H081 | 121.8° | 120.0° |
| C10 | C11 | C12 | 117.2° | 120.0° |
| C10 | C11 | H111 | 121.4° | 120.0° |
| C08 | C07 | C12 | 122.4° | 120.4° |
| C08 | C07 | H071 | 118.8° | 119.8° |
| C07 | C08 | H081 | 121.8° | 120.1° |
| C11 | C12 | C07 | 120.5° | 120.4° |
| C12 | C11 | H111 | 121.4° | 120.0° |
| C11 | C12 | H121 | 119.8° | 119.8° |
| C12 | C07 | H071 | 118.8° | 119.8° |
| C07 | C12 | H121 | 119.7° | 119.8° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H222 | C22 | H223 | 109.4° | 109.4° |
| H222 | C22 | H221 | 109.5° | 109.4° |
| H223 | C22 | H221 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.4° | 109.0° |
| H262 | C26 | H261 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C20 | O21 | N19 | 179.9° | 179.9° |
| C22 | C20 | N19 | C16 | 177.0° | 174.7° |
| C20 | C22 | H222 | H223 | 120.0° | 120.0° |
| C20 | C22 | H222 | H221 | 120.0° | 120.0° |
| C20 | C22 | H223 | H221 | 120.0° | 120.1° |
| C22 | C20 | N19 | H191 | 2.9° | 5.3° |
| O21 | C20 | N19 | C16 | 3.1° | 5.2° |
| O21 | C20 | C22 | H222 | 0.0° | 90.1° |
| O21 | C20 | C22 | H223 | 120.0° | 150.0° |
| O21 | C20 | C22 | H221 | 120.0° | 29.9° |
| O21 | C20 | N19 | H191 | 177.0° | 174.8° |
| C20 | N19 | C16 | H191 | 180.0° | 180.0° |
| C20 | N19 | C16 | C17 | 145.9° | 33.2° |
| C20 | N19 | C16 | C15 | 32.4° | 146.7° |
| N19 | C20 | C22 | H222 | 179.9° | 90.0° |
| N19 | C20 | C22 | H223 | 60.1° | 30.0° |
| N19 | C20 | C22 | H221 | 59.9° | 150.0° |
| N19 | C16 | C17 | C15 | 178.3° | 179.9° |
| N19 | C16 | C17 | C18 | 179.3° | 178.9° |
| N19 | C16 | C15 | C14 | 178.7° | 180.0° |
| N19 | C16 | C15 | H151 | 1.3° | 0.1° |
| N19 | C16 | C17 | H171 | 0.7° | 1.1° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | C13 | 1.6° | 0.0° |
| C17 | C16 | C15 | C14 | 0.5° | 0.0° |
| C17 | C16 | C15 | H151 | 179.5° | 180.0° |
| C16 | C17 | C18 | H181 | 178.4° | 180.0° |
| C17 | C16 | N19 | H191 | 34.0° | 146.8° |
| C18 | C17 | C16 | C15 | 1.0° | 1.1° |
| C17 | C18 | C13 | H181 | 180.0° | 180.0° |
| C17 | C18 | C13 | C14 | 1.8° | 2.2° |
| C17 | C18 | C13 | C23 | 178.0° | 176.4° |
| O01 | C02 | C03 | H021 | 120.5° | 120.0° |
| O01 | C02 | C03 | H022 | 120.5° | 120.0° |
| O01 | C02 | C03 | C04 | 7.3° | 180.0° |
| O01 | C02 | H021 | H022 | 118.4° | 120.1° |
| O01 | C02 | C03 | H031 | 113.8° | 60.0° |
| O01 | C02 | C03 | H032 | 128.5° | 60.0° |
| C16 | C15 | C14 | H151 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.9° | 2.1° |
| C16 | C15 | C14 | O27 | 179.9° | 176.3° |
| C15 | C16 | C17 | H171 | 179.0° | 179.0° |
| C15 | C16 | N19 | H191 | 147.6° | 33.2° |
| C18 | C13 | C14 | C15 | 1.6° | 3.2° |
| C18 | C13 | C14 | C23 | 176.9° | 178.6° |
| C18 | C13 | C14 | O27 | 179.4° | 175.2° |
| C18 | C13 | C23 | N24 | 125.4° | 120.9° |
| C13 | C18 | C17 | H171 | 178.4° | 180.0° |
| C18 | C13 | C23 | H231 | 2.7° | 118.5° |
| C18 | C13 | C23 | H232 | 111.8° | 0.3° |
| C02 | C03 | C04 | H031 | 121.2° | 120.0° |
| C02 | C03 | C04 | H032 | 121.2° | 120.0° |
| C02 | C03 | C04 | C05 | 136.4° | 180.0° |
| C03 | C02 | H021 | H022 | 118.4° | 119.9° |
| C02 | C03 | H031 | H032 | 116.4° | 120.0° |
| C02 | C03 | C04 | H041 | 102.4° | 60.0° |
| C02 | C03 | C04 | H042 | 15.3° | 59.9° |
| C03 | C02 | O01 | H011 | 180.0° | 180.0° |
| C15 | C14 | C13 | O27 | 179.1° | 178.4° |
| C15 | C14 | C13 | C23 | 178.4° | 175.4° |
| C15 | C14 | O27 | C26 | 157.0° | 106.9° |
| C14 | C13 | C23 | N24 | 51.0° | 60.5° |
| C13 | C14 | O27 | C26 | 23.7° | 71.5° |
| C13 | C14 | C15 | H151 | 179.1° | 177.9° |
| C14 | C13 | C18 | H181 | 178.2° | 177.8° |
| C14 | C13 | C23 | H231 | 173.7° | 60.1° |
| C14 | C13 | C23 | H232 | 71.8° | 178.9° |
| C23 | C13 | C14 | O27 | 2.5° | 6.2° |
| C13 | C23 | N24 | H231 | 122.7° | 120.6° |
| C13 | C23 | N24 | H232 | 122.8° | 120.5° |
| C13 | C23 | N24 | C25 | 57.4° | 43.9° |
| C13 | C23 | N24 | N28 | 118.8° | 136.9° |
| C23 | C13 | C18 | H181 | 2.1° | 3.6° |
| C13 | C23 | H231 | H232 | 110.6° | 118.9° |
| C14 | O27 | C26 | C25 | 8.9° | 66.1° |
| O27 | C14 | C15 | H151 | 0.1° | 3.7° |
| C14 | O27 | C26 | H262 | 112.7° | 173.3° |
| C14 | O27 | C26 | H261 | 130.6° | 54.5° |
| C23 | N24 | C25 | N28 | 176.5° | 179.3° |
| C23 | N24 | C25 | C26 | 1.2° | 2.5° |
| C23 | N24 | C25 | C30 | 177.2° | 178.0° |
| C23 | N24 | N28 | C29 | 178.7° | 178.1° |
| N24 | C23 | H231 | H232 | 110.6° | 118.9° |
| C03 | C04 | C05 | H041 | 121.2° | 120.0° |
| C03 | C04 | C05 | H042 | 121.1° | 120.0° |
| C03 | C04 | C05 | C06 | 165.2° | 123.1° |
| C04 | C03 | C02 | H021 | 127.8° | 60.0° |
| C04 | C03 | C02 | H022 | 113.2° | 60.0° |
| C04 | C03 | H031 | H032 | 116.4° | 120.0° |
| C03 | C04 | H041 | H042 | 116.4° | 120.0° |
| O27 | C26 | C25 | N24 | 32.2° | 10.5° |
| O27 | C26 | C25 | H262 | 121.7° | 120.6° |
| O27 | C26 | C25 | H261 | 121.7° | 120.5° |
| O27 | C26 | C25 | C30 | 145.8° | 170.0° |
| O27 | C26 | H262 | H261 | 114.6° | 118.8° |
| C04 | C05 | C06 | C09 | 48.7° | 165.7° |
| C05 | C04 | C03 | H031 | 15.2° | 60.0° |
| C05 | C04 | C03 | H032 | 102.4° | 60.0° |
| C05 | C04 | H041 | H042 | 116.3° | 120.1° |
| N24 | C25 | C26 | C30 | 178.0° | 179.5° |
| C25 | N24 | N28 | C29 | 2.1° | 1.2° |
| N24 | C25 | C30 | C29 | 1.0° | 1.0° |
| C25 | N24 | C23 | H231 | 179.8° | 76.7° |
| C25 | N24 | C23 | H232 | 65.3° | 164.4° |
| N24 | C25 | C26 | H262 | 89.5° | 131.1° |
| N24 | C25 | C26 | H261 | 153.9° | 110.0° |
| N24 | C25 | C30 | H301 | 179.0° | 179.0° |
| N28 | N24 | C25 | C26 | 177.7° | 178.2° |
| N28 | N24 | C25 | C30 | 0.7° | 1.3° |
| N24 | N28 | C29 | C30 | 2.7° | 0.6° |
| N24 | N28 | C29 | C10 | 178.4° | 179.4° |
| N28 | N24 | C23 | H231 | 3.9° | 102.5° |
| N28 | N24 | C23 | H232 | 118.5° | 16.4° |
| C26 | C25 | C30 | C29 | 179.3° | 178.6° |
| C25 | C26 | H262 | H261 | 114.6° | 118.8° |
| C26 | C25 | C30 | H301 | 0.7° | 1.4° |
| C25 | C30 | C29 | N28 | 2.5° | 0.2° |
| C25 | C30 | C29 | H301 | 180.0° | 180.0° |
| C25 | C30 | C29 | C10 | 178.6° | 179.8° |
| C30 | C25 | C26 | H262 | 92.5° | 49.4° |
| C30 | C25 | C26 | H261 | 24.2° | 69.5° |
| N28 | C29 | C30 | C10 | 176.1° | 180.0° |
| N28 | C29 | C10 | C09 | 3.7° | 0.0° |
| N28 | C29 | C10 | C11 | 174.3° | 180.0° |
| N28 | C29 | C30 | H301 | 177.5° | 179.8° |
| C05 | C06 | C09 | C10 | 160.4° | 108.8° |
| C05 | C06 | C09 | C08 | 19.9° | 71.2° |
| C06 | C05 | C04 | H041 | 44.1° | 116.9° |
| C06 | C05 | C04 | H042 | 73.6° | 3.1° |
| C06 | C09 | C10 | C29 | 1.2° | 0.0° |
| C06 | C09 | C10 | C08 | 179.7° | 180.0° |
| C06 | C09 | C10 | C11 | 179.4° | 180.0° |
| C06 | C09 | C08 | C07 | 179.9° | 180.0° |
| C06 | C09 | C08 | H081 | 0.1° | 0.1° |
| C30 | C29 | C10 | C09 | 179.1° | 180.0° |
| C30 | C29 | C10 | C11 | 1.1° | 0.0° |
| C29 | C10 | C09 | C11 | 178.2° | 180.0° |
| C29 | C10 | C09 | C08 | 179.1° | 180.0° |
| C29 | C10 | C11 | C12 | 178.9° | 180.0° |
| C29 | C10 | C11 | H111 | 1.1° | 0.0° |
| C10 | C29 | C30 | H301 | 1.4° | 0.2° |
| C10 | C09 | C08 | C07 | 0.3° | 0.0° |
| C09 | C10 | C11 | C12 | 1.1° | 0.0° |
| C10 | C09 | C08 | H081 | 179.6° | 180.0° |
| C09 | C10 | C11 | H111 | 179.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.9° | 0.0° |
| C09 | C08 | C07 | H081 | 180.0° | 179.9° |
| C09 | C08 | C07 | C12 | 0.1° | 0.0° |
| C09 | C08 | C07 | H071 | 179.9° | 179.7° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C07 | 0.7° | 0.0° |
| C10 | C11 | C12 | H121 | 179.3° | 179.7° |
| C08 | C07 | C12 | C11 | 0.1° | 0.0° |
| C08 | C07 | C12 | H071 | 180.0° | 179.7° |
| C08 | C07 | C12 | H121 | 179.9° | 179.7° |
| C11 | C12 | C07 | H121 | 180.0° | 179.6° |
| C11 | C12 | C07 | H071 | 179.9° | 179.7° |
| C12 | C07 | C08 | H081 | 180.0° | 179.9° |
| C07 | C12 | C11 | H111 | 179.3° | 180.0° |
| H021 | C02 | C03 | H031 | 6.7° | 60.0° |
| H021 | C02 | C03 | H032 | 111.0° | 180.0° |
| H021 | C02 | O01 | H011 | 59.5° | 60.0° |
| H022 | C02 | C03 | H031 | 125.6° | 180.0° |
| H022 | C02 | C03 | H032 | 8.0° | 60.1° |
| H022 | C02 | O01 | H011 | 59.5° | 60.0° |
| H031 | C03 | C04 | H041 | 136.4° | 180.0° |
| H031 | C03 | C04 | H042 | 105.9° | 60.1° |
| H032 | C03 | C04 | H041 | 18.7° | 60.0° |
| H032 | C03 | C04 | H042 | 136.4° | 180.0° |
| H071 | C07 | C08 | H081 | 0.0° | 0.4° |
| H071 | C07 | C12 | H121 | 0.1° | 0.0° |
| H111 | C11 | C12 | H121 | 0.7° | 0.3° |
| H171 | C17 | C18 | H181 | 1.5° | 0.1° |
| H222 | C22 | H223 | H221 | 120.0° | 120.0° |
