G1U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C09 | doub | 1.21Å | 1.19Å | |
| C11 | C09 | sing | 1.51Å | 1.53Å | |
| C09 | C08 | sing | 1.46Å | 1.52Å | |
| C08 | C03 | sing | 1.47Å | 1.40Å | Aromatic |
| C08 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C07 | C06 | sing | 1.51Å | 1.52Å | |
| C03 | C04 | doub | 1.36Å | 1.38Å | Aromatic |
| C06 | N05 | sing | 1.35Å | 1.33Å | Aromatic |
| C04 | N05 | sing | 1.37Å | 1.33Å | Aromatic |
| C04 | C12 | sing | 1.48Å | 1.50Å | |
| C13 | C12 | doub | 1.35Å | 1.42Å | Aromatic |
| C13 | S14 | sing | 1.76Å | 1.62Å | Aromatic |
| C12 | N24 | sing | 1.33Å | 1.45Å | Aromatic |
| S14 | C15 | sing | 1.71Å | 1.64Å | Aromatic |
| N24 | C15 | doub | 1.29Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | N17 | sing | 1.47Å | 1.25Å | |
| N17 | C18 | sing | 1.47Å | 1.44Å | |
| N17 | C23 | sing | 1.47Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.45Å | |
| C22 | C20 | sing | 1.53Å | 1.45Å | |
| C20 | N21 | sing | 1.47Å | 1.47Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | 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 | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N21 | H212 | sing | 1.01Å | 1.00Å | |
| N21 | H211 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C09 | C11 | 119.0° | 120.0° |
| O10 | C09 | C08 | 119.7° | 120.0° |
| C11 | C09 | C08 | 121.2° | 120.0° |
| C09 | C11 | H111 | 109.5° | 109.5° |
| C09 | C11 | H112 | 109.4° | 109.5° |
| C09 | C11 | H113 | 109.5° | 109.5° |
| C09 | C08 | C03 | 129.8° | 127.0° |
| C09 | C08 | C06 | 122.7° | 126.9° |
| C03 | C08 | C06 | 107.4° | 106.1° |
| C08 | C03 | C02 | 131.2° | 126.8° |
| C08 | C03 | C04 | 106.0° | 106.3° |
| C08 | C06 | C07 | 128.7° | 125.8° |
| C08 | C06 | N05 | 107.7° | 108.4° |
| C03 | C02 | C01 | 114.4° | 109.5° |
| C02 | C03 | C04 | 122.6° | 126.9° |
| C03 | C02 | H022 | 108.2° | 109.4° |
| C03 | C02 | H021 | 108.2° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H022 | 108.3° | 109.5° |
| C01 | C02 | H021 | 108.3° | 109.5° |
| C07 | C06 | N05 | 123.6° | 125.8° |
| C06 | C07 | H071 | 109.5° | 109.5° |
| C06 | C07 | H073 | 109.5° | 109.4° |
| C06 | C07 | H072 | 109.5° | 109.5° |
| C03 | C04 | N05 | 108.6° | 108.8° |
| C03 | C04 | C12 | 131.3° | 125.6° |
| C06 | N05 | C04 | 110.2° | 110.4° |
| C06 | N05 | H051 | 124.9° | 124.8° |
| N05 | C04 | C12 | 120.0° | 125.6° |
| C04 | N05 | H051 | 124.9° | 124.9° |
| C04 | C12 | C13 | 130.9° | 123.0° |
| C04 | C12 | N24 | 118.4° | 123.0° |
| C12 | C13 | S14 | 110.1° | 107.8° |
| C13 | C12 | N24 | 110.7° | 114.1° |
| C12 | C13 | H131 | 125.0° | 126.1° |
| C13 | S14 | C15 | 97.1° | 90.5° |
| S14 | C13 | H131 | 124.9° | 126.1° |
| C12 | N24 | C15 | 110.9° | 117.1° |
| S14 | C15 | N24 | 111.3° | 110.5° |
| S14 | C15 | C16 | 125.1° | 124.7° |
| N24 | C15 | C16 | 123.7° | 124.7° |
| C15 | C16 | N17 | 107.5° | 109.4° |
| C15 | C16 | H162 | 110.0° | 109.4° |
| C15 | C16 | H161 | 109.9° | 109.5° |
| C16 | N17 | C18 | 112.1° | 111.0° |
| C16 | N17 | C23 | 111.8° | 111.0° |
| N17 | C16 | H162 | 109.9° | 109.5° |
| N17 | C16 | H161 | 110.0° | 109.5° |
| C18 | N17 | C23 | 109.8° | 111.2° |
| N17 | C18 | C19 | 112.4° | 109.5° |
| N17 | C18 | H181 | 108.7° | 109.4° |
| N17 | C18 | H182 | 108.8° | 109.5° |
| N17 | C23 | C22 | 114.7° | 109.5° |
| N17 | C23 | H231 | 108.2° | 109.5° |
| N17 | C23 | H232 | 108.1° | 109.5° |
| C18 | C19 | C20 | 113.6° | 109.3° |
| C19 | C18 | H181 | 108.7° | 109.5° |
| C19 | C18 | H182 | 108.7° | 109.5° |
| C18 | C19 | H191 | 108.4° | 109.5° |
| C18 | C19 | H192 | 108.4° | 109.5° |
| C23 | C22 | C20 | 113.9° | 109.3° |
| C23 | C22 | H222 | 108.3° | 109.5° |
| C23 | C22 | H221 | 108.4° | 109.5° |
| C22 | C23 | H231 | 108.1° | 109.4° |
| C22 | C23 | H232 | 108.2° | 109.4° |
| C19 | C20 | C22 | 112.4° | 109.1° |
| C19 | C20 | N21 | 111.0° | 109.5° |
| C20 | C19 | H191 | 108.5° | 109.5° |
| C20 | C19 | H192 | 108.4° | 109.5° |
| C19 | C20 | H201 | 108.1° | 109.5° |
| C22 | C20 | N21 | 109.4° | 109.5° |
| C22 | C20 | H201 | 108.1° | 109.5° |
| C20 | C22 | H222 | 108.4° | 109.5° |
| C20 | C22 | H221 | 108.3° | 109.5° |
| N21 | C20 | H201 | 107.8° | 109.6° |
| C20 | N21 | H212 | 109.5° | 111.0° |
| C20 | N21 | H211 | 109.4° | 111.0° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H071 | C07 | H073 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H073 | C07 | H072 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H212 | N21 | H211 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C09 | C11 | C08 | 176.6° | 180.0° |
| O10 | C09 | C08 | C03 | 167.4° | 93.6° |
| O10 | C09 | C08 | C06 | 15.4° | 86.3° |
| O10 | C09 | C11 | H111 | 0.0° | 85.0° |
| O10 | C09 | C11 | H112 | 120.0° | 34.9° |
| O10 | C09 | C11 | H113 | 120.0° | 154.9° |
| C11 | C09 | C08 | C03 | 16.1° | 86.4° |
| C11 | C09 | C08 | C06 | 161.1° | 93.7° |
| C09 | C11 | H111 | H112 | 120.0° | 120.0° |
| C09 | C11 | H111 | H113 | 120.0° | 120.1° |
| C09 | C11 | H112 | H113 | 120.0° | 120.0° |
| C09 | C08 | C03 | C06 | 177.5° | 179.9° |
| C09 | C08 | C03 | C02 | 4.9° | 0.1° |
| C09 | C08 | C06 | C07 | 2.3° | 0.1° |
| C09 | C08 | C03 | C04 | 178.9° | 179.8° |
| C09 | C08 | C06 | N05 | 178.1° | 179.9° |
| C08 | C09 | C11 | H111 | 176.6° | 95.0° |
| C08 | C09 | C11 | H112 | 56.6° | 145.1° |
| C08 | C09 | C11 | H113 | 63.4° | 25.1° |
| C08 | C03 | C02 | C04 | 175.6° | 179.6° |
| C08 | C03 | C02 | C01 | 106.5° | 90.4° |
| C03 | C08 | C06 | C07 | 180.0° | 179.9° |
| C03 | C08 | C06 | N05 | 0.4° | 0.2° |
| C08 | C03 | C04 | N05 | 1.9° | 0.3° |
| C08 | C03 | C04 | C12 | 180.0° | 179.7° |
| C08 | C03 | C02 | H022 | 132.8° | 149.7° |
| C08 | C03 | C02 | H021 | 14.2° | 29.7° |
| C06 | C08 | C03 | C02 | 177.6° | 180.0° |
| C08 | C06 | C07 | N05 | 179.5° | 179.9° |
| C06 | C08 | C03 | C04 | 1.4° | 0.3° |
| C08 | C06 | N05 | C04 | 0.8° | 0.0° |
| C08 | C06 | C07 | H071 | 89.7° | 94.0° |
| C08 | C06 | C07 | H073 | 150.3° | 26.1° |
| C08 | C06 | C07 | H072 | 30.3° | 146.0° |
| C08 | C06 | N05 | H051 | 179.2° | 179.8° |
| C03 | C02 | C01 | H022 | 120.7° | 119.9° |
| C03 | C02 | C01 | H021 | 120.7° | 120.1° |
| C02 | C03 | C04 | N05 | 178.5° | 180.0° |
| C02 | C03 | C04 | C12 | 3.4° | 0.1° |
| C03 | C02 | C01 | H013 | 180.0° | 59.9° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C03 | C02 | H022 | H021 | 117.7° | 120.0° |
| C01 | C02 | C03 | C04 | 77.9° | 90.0° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | H022 | H021 | 117.8° | 120.0° |
| C07 | C06 | N05 | C04 | 178.8° | 179.9° |
| C06 | C07 | H071 | H073 | 120.0° | 120.0° |
| C06 | C07 | H071 | H072 | 120.0° | 120.0° |
| C06 | C07 | H073 | H072 | 120.0° | 119.9° |
| C07 | C06 | N05 | H051 | 1.2° | 0.2° |
| C03 | C04 | N05 | C06 | 1.8° | 0.2° |
| C03 | C04 | N05 | C12 | 178.3° | 179.9° |
| C03 | C04 | C12 | C13 | 16.9° | 155.3° |
| C03 | C04 | C12 | N24 | 163.6° | 24.9° |
| C04 | C03 | C02 | H022 | 42.9° | 29.9° |
| C04 | C03 | C02 | H021 | 161.4° | 149.9° |
| C03 | C04 | N05 | H051 | 178.3° | 180.0° |
| C06 | N05 | C04 | H051 | 180.0° | 179.8° |
| C06 | N05 | C04 | C12 | 179.9° | 179.9° |
| N05 | C06 | C07 | H071 | 89.8° | 86.0° |
| N05 | C06 | C07 | H073 | 30.2° | 154.0° |
| N05 | C06 | C07 | H072 | 150.2° | 34.1° |
| N05 | C04 | C12 | C13 | 165.2° | 24.8° |
| N05 | C04 | C12 | N24 | 14.3° | 155.0° |
| C04 | C12 | C13 | N24 | 179.5° | 179.8° |
| C04 | C12 | C13 | S14 | 179.9° | 180.0° |
| C04 | C12 | N24 | C15 | 179.8° | 180.0° |
| C04 | C12 | C13 | H131 | 0.1° | 0.0° |
| C12 | C04 | N05 | H051 | 0.1° | 0.1° |
| C12 | C13 | S14 | H131 | 180.0° | 180.0° |
| C12 | C13 | S14 | C15 | 0.3° | 0.1° |
| C13 | C12 | N24 | C15 | 0.6° | 0.2° |
| S14 | C13 | C12 | N24 | 0.6° | 0.2° |
| C13 | S14 | C15 | N24 | 0.1° | 0.0° |
| C13 | S14 | C15 | C16 | 178.9° | 179.8° |
| C12 | N24 | C15 | S14 | 0.4° | 0.1° |
| C12 | N24 | C15 | C16 | 178.6° | 179.9° |
| N24 | C12 | C13 | H131 | 179.4° | 179.8° |
| S14 | C15 | N24 | C16 | 179.0° | 179.8° |
| S14 | C15 | C16 | N17 | 37.2° | 90.2° |
| C15 | S14 | C13 | H131 | 179.7° | 179.9° |
| S14 | C15 | C16 | H162 | 156.9° | 29.8° |
| S14 | C15 | C16 | H161 | 82.5° | 149.8° |
| N24 | C15 | C16 | N17 | 141.6° | 90.0° |
| N24 | C15 | C16 | H162 | 22.0° | 150.0° |
| N24 | C15 | C16 | H161 | 98.7° | 30.0° |
| C15 | C16 | N17 | H162 | 119.7° | 120.0° |
| C15 | C16 | N17 | H161 | 119.7° | 120.0° |
| C15 | C16 | N17 | C18 | 154.4° | 170.0° |
| C15 | C16 | N17 | C23 | 81.8° | 65.8° |
| C15 | C16 | H162 | H161 | 120.9° | 120.0° |
| C16 | N17 | C18 | C23 | 124.9° | 124.1° |
| C16 | N17 | C18 | C19 | 179.4° | 174.2° |
| C16 | N17 | C23 | C22 | 177.8° | 174.2° |
| N17 | C16 | H162 | H161 | 120.9° | 120.0° |
| C16 | N17 | C18 | H181 | 59.0° | 54.2° |
| C16 | N17 | C18 | H182 | 60.1° | 65.8° |
| C16 | N17 | C23 | H231 | 61.5° | 65.8° |
| C16 | N17 | C23 | H232 | 57.0° | 54.2° |
| N17 | C18 | C19 | H181 | 120.4° | 119.9° |
| N17 | C18 | C19 | H182 | 120.5° | 120.0° |
| C18 | N17 | C23 | C22 | 52.7° | 61.8° |
| N17 | C18 | C19 | C20 | 54.0° | 59.2° |
| C18 | N17 | C16 | H162 | 85.8° | 70.0° |
| C18 | N17 | C16 | H161 | 34.8° | 50.0° |
| N17 | C18 | H181 | H182 | 118.7° | 120.0° |
| N17 | C18 | C19 | H191 | 174.7° | 179.1° |
| N17 | C18 | C19 | H192 | 66.6° | 60.7° |
| C18 | N17 | C23 | H231 | 173.5° | 58.2° |
| C18 | N17 | C23 | H232 | 68.0° | 178.2° |
| C23 | N17 | C18 | C19 | 54.5° | 61.8° |
| N17 | C23 | C22 | H231 | 120.8° | 120.0° |
| N17 | C23 | C22 | H232 | 120.7° | 120.0° |
| N17 | C23 | C22 | C20 | 48.9° | 59.2° |
| C23 | N17 | C16 | H162 | 37.9° | 54.2° |
| C23 | N17 | C16 | H161 | 158.6° | 174.2° |
| C23 | N17 | C18 | H181 | 65.9° | 178.2° |
| C23 | N17 | C18 | H182 | 174.9° | 58.2° |
| N17 | C23 | C22 | H222 | 71.8° | 179.1° |
| N17 | C23 | C22 | H221 | 169.5° | 60.8° |
| N17 | C23 | H231 | H232 | 117.6° | 120.0° |
| C18 | C19 | C20 | H191 | 120.6° | 119.9° |
| C18 | C19 | C20 | H192 | 120.6° | 120.0° |
| C18 | C19 | C20 | C22 | 48.1° | 57.6° |
| C18 | C19 | C20 | N21 | 170.9° | 177.6° |
| C19 | C18 | H181 | H182 | 118.6° | 120.1° |
| C18 | C19 | H191 | H192 | 118.1° | 120.1° |
| C18 | C19 | C20 | H201 | 71.1° | 62.2° |
| C23 | C22 | C20 | C19 | 45.3° | 57.6° |
| C23 | C22 | C20 | H222 | 120.6° | 120.0° |
| C23 | C22 | C20 | H221 | 120.7° | 120.0° |
| C23 | C22 | C20 | N21 | 169.1° | 177.5° |
| C23 | C22 | C20 | H201 | 73.9° | 62.3° |
| C23 | C22 | H222 | H221 | 118.0° | 120.1° |
| C22 | C23 | H231 | H232 | 117.6° | 119.9° |
| C19 | C20 | C22 | N21 | 123.8° | 119.9° |
| C19 | C20 | C22 | H201 | 119.2° | 119.9° |
| C19 | C20 | N21 | H201 | 118.2° | 120.2° |
| C20 | C19 | C18 | H181 | 66.4° | 179.2° |
| C20 | C19 | C18 | H182 | 174.5° | 60.8° |
| C20 | C19 | H191 | H192 | 118.1° | 120.1° |
| C19 | C20 | C22 | H222 | 75.3° | 177.6° |
| C19 | C20 | C22 | H221 | 166.0° | 62.4° |
| C19 | C20 | N21 | H212 | 180.0° | 180.0° |
| C19 | C20 | N21 | H211 | 60.0° | 56.1° |
| C22 | C20 | N21 | H201 | 117.2° | 120.1° |
| C22 | C20 | C19 | H191 | 168.7° | 177.6° |
| C22 | C20 | C19 | H192 | 72.5° | 62.3° |
| C20 | C22 | H222 | H221 | 118.0° | 120.1° |
| C20 | C22 | C23 | H231 | 169.7° | 60.9° |
| C20 | C22 | C23 | H232 | 71.9° | 179.2° |
| C22 | C20 | N21 | H212 | 55.4° | 60.3° |
| C22 | C20 | N21 | H211 | 175.4° | 175.8° |
| N21 | C20 | C19 | H191 | 68.5° | 62.5° |
| N21 | C20 | C19 | H192 | 50.3° | 57.6° |
| N21 | C20 | C22 | H222 | 48.5° | 62.5° |
| N21 | C20 | C22 | H221 | 70.2° | 57.6° |
| C20 | N21 | H212 | H211 | 120.0° | 124.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.1° |
| H013 | C01 | C02 | H022 | 59.3° | 60.0° |
| H013 | C01 | C02 | H021 | 59.3° | 180.0° |
| H011 | C01 | C02 | H022 | 179.3° | 179.9° |
| H011 | C01 | C02 | H021 | 60.7° | 60.1° |
| H012 | C01 | C02 | H022 | 60.7° | 60.0° |
| H012 | C01 | C02 | H021 | 179.3° | 60.0° |
| H071 | C07 | H073 | H072 | 120.0° | 120.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H181 | C18 | C19 | H191 | 54.2° | 60.9° |
| H181 | C18 | C19 | H192 | 173.0° | 59.2° |
| H182 | C18 | C19 | H191 | 64.9° | 59.1° |
| H182 | C18 | C19 | H192 | 53.9° | 179.2° |
| H191 | C19 | C20 | H201 | 49.5° | 57.7° |
| H192 | C19 | C20 | H201 | 168.3° | 177.8° |
| H201 | C20 | C22 | H222 | 165.5° | 57.7° |
| H201 | C20 | C22 | H221 | 46.8° | 177.7° |
| H201 | C20 | N21 | H212 | 61.8° | 59.9° |
| H201 | C20 | N21 | H211 | 58.2° | 64.1° |
| H222 | C22 | C23 | H231 | 49.0° | 59.1° |
| H222 | C22 | C23 | H232 | 167.5° | 60.8° |
| H221 | C22 | C23 | H231 | 69.7° | 179.2° |
| H221 | C22 | C23 | H232 | 48.8° | 59.2° |
