GXC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C03 | C02 | sing | 1.51Å | 1.51Å | |
| N04 | C03 | doub | 1.33Å | 1.34Å | Aromatic |
| C05 | N04 | sing | 1.32Å | 1.33Å | Aromatic |
| N06 | C05 | sing | 1.39Å | 1.36Å | |
| N07 | C05 | doub | 1.33Å | 1.34Å | Aromatic |
| C08 | N07 | sing | 1.33Å | 1.33Å | Aromatic |
| N09 | C08 | sing | 1.39Å | 1.36Å | |
| C10 | C08 | doub | 1.40Å | 1.40Å | Aromatic |
| O11 | C10 | sing | 1.36Å | 1.39Å | |
| C12 | O11 | sing | 1.43Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| O15 | C14 | sing | 1.43Å | 1.46Å | |
| C16 | O15 | sing | 1.36Å | 1.37Å | |
| C17 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| S24 | C23 | sing | 1.81Å | 1.82Å | |
| O25 | S24 | doub | 1.42Å | 1.57Å | |
| O26 | S24 | doub | 1.42Å | 1.58Å | |
| N27 | S24 | sing | 1.66Å | 1.72Å | |
| C28 | N27 | sing | 1.35Å | 1.38Å | |
| C29 | C28 | sing | 1.51Å | 1.51Å | |
| O30 | C28 | doub | 1.21Å | 1.20Å | |
| C03 | C10 | sing | 1.39Å | 1.36Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| N06 | H062 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N09 | H092 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| N27 | H271 | sing | 0.97Å | 1.00Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 108.8° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 109.7° | 109.5° |
| C01 | C02 | H022 | 109.7° | 109.5° |
| C02 | C03 | N04 | 117.1° | 120.4° |
| C02 | C03 | C10 | 122.4° | 120.4° |
| C03 | C02 | H021 | 109.6° | 109.4° |
| C03 | C02 | H022 | 109.6° | 109.4° |
| C03 | N04 | C05 | 118.7° | 121.0° |
| N04 | C03 | C10 | 120.5° | 119.2° |
| N04 | C05 | N06 | 118.2° | 119.2° |
| N04 | C05 | N07 | 124.1° | 121.7° |
| N06 | C05 | N07 | 117.7° | 119.1° |
| C05 | N06 | H062 | 109.5° | 120.0° |
| C05 | N06 | H061 | 109.5° | 120.0° |
| C05 | N07 | C08 | 117.8° | 120.7° |
| N07 | C08 | N09 | 119.2° | 120.5° |
| N07 | C08 | C10 | 120.6° | 119.0° |
| N09 | C08 | C10 | 120.2° | 120.5° |
| C08 | N09 | H092 | 109.5° | 120.0° |
| C08 | N09 | H091 | 109.5° | 120.0° |
| C08 | C10 | O11 | 119.1° | 120.8° |
| C08 | C10 | C03 | 118.2° | 118.4° |
| C10 | O11 | C12 | 115.5° | 117.0° |
| O11 | C10 | C03 | 122.7° | 120.8° |
| O11 | C12 | C13 | 111.0° | 109.5° |
| O11 | C12 | H121 | 109.1° | 109.4° |
| O11 | C12 | H122 | 109.1° | 109.5° |
| C12 | C13 | C14 | 109.0° | 109.4° |
| C12 | C13 | H132 | 109.6° | 109.5° |
| C12 | C13 | H131 | 109.6° | 109.5° |
| C13 | C12 | H121 | 109.1° | 109.4° |
| C13 | C12 | H122 | 109.1° | 109.5° |
| C13 | C14 | O15 | 105.7° | 109.4° |
| C14 | C13 | H132 | 109.6° | 109.5° |
| C14 | C13 | H131 | 109.6° | 109.5° |
| C13 | C14 | H142 | 110.4° | 109.4° |
| C13 | C14 | H141 | 110.4° | 109.5° |
| C14 | O15 | C16 | 118.7° | 117.0° |
| O15 | C14 | H142 | 110.4° | 109.4° |
| O15 | C14 | H141 | 110.4° | 109.5° |
| O15 | C16 | C17 | 121.9° | 120.1° |
| O15 | C16 | C21 | 118.4° | 120.1° |
| C16 | C17 | C18 | 120.3° | 119.9° |
| C17 | C16 | C21 | 119.7° | 119.9° |
| C16 | C17 | H171 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.1° |
| C18 | C17 | H171 | 119.8° | 120.1° |
| C17 | C18 | H181 | 120.0° | 120.0° |
| C18 | C19 | C20 | 119.8° | 120.1° |
| C19 | C18 | H181 | 120.0° | 119.9° |
| C18 | C19 | H191 | 120.1° | 120.0° |
| C19 | C20 | C21 | 120.7° | 120.1° |
| C19 | C20 | H201 | 119.6° | 120.0° |
| C20 | C19 | H191 | 120.1° | 119.9° |
| C20 | C21 | C22 | 119.6° | 120.0° |
| C20 | C21 | C16 | 119.4° | 119.9° |
| C21 | C20 | H201 | 119.7° | 119.9° |
| C21 | C22 | C23 | 113.9° | 109.5° |
| C22 | C21 | C16 | 121.0° | 120.0° |
| C21 | C22 | H221 | 108.4° | 109.5° |
| C21 | C22 | H222 | 108.4° | 109.5° |
| C22 | C23 | S24 | 105.6° | 109.5° |
| C23 | C22 | H221 | 108.3° | 109.5° |
| C23 | C22 | H222 | 108.3° | 109.5° |
| C22 | C23 | H232 | 110.4° | 109.5° |
| C22 | C23 | H231 | 110.4° | 109.5° |
| C23 | S24 | O25 | 107.4° | 110.5° |
| C23 | S24 | O26 | 110.1° | 110.6° |
| C23 | S24 | N27 | 103.3° | 104.5° |
| S24 | C23 | H232 | 110.4° | 109.5° |
| S24 | C23 | H231 | 110.4° | 109.5° |
| O25 | S24 | O26 | 119.5° | 121.0° |
| O25 | S24 | N27 | 106.3° | 104.3° |
| O26 | S24 | N27 | 109.0° | 104.3° |
| S24 | N27 | C28 | 119.9° | 120.0° |
| S24 | N27 | H271 | 120.0° | 120.0° |
| N27 | C28 | C29 | 112.3° | 120.0° |
| N27 | C28 | O30 | 120.7° | 120.0° |
| C28 | N27 | H271 | 120.0° | 120.0° |
| C29 | C28 | O30 | 127.0° | 120.0° |
| C28 | C29 | H291 | 109.5° | 109.5° |
| C28 | C29 | H293 | 109.4° | 109.4° |
| C28 | C29 | H292 | 109.5° | 109.4° |
| H132 | C13 | H131 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.4° | 109.4° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H021 | C02 | H022 | 109.5° | 109.4° |
| H062 | N06 | H061 | 109.5° | 120.0° |
| H092 | N09 | H091 | 109.4° | 120.0° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.4° | 109.5° |
| H293 | C29 | H292 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H021 | 119.9° | 120.0° |
| C01 | C02 | C03 | H022 | 119.9° | 120.1° |
| C01 | C02 | C03 | N04 | 66.2° | 88.8° |
| C01 | C02 | C03 | C10 | 114.4° | 91.1° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.1° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 120.4° | 120.0° |
| C02 | C03 | N04 | C10 | 179.4° | 180.0° |
| C02 | C03 | N04 | C05 | 179.8° | 180.0° |
| C02 | C03 | C10 | C08 | 179.9° | 180.0° |
| C02 | C03 | C10 | O11 | 0.4° | 0.3° |
| C03 | C02 | C01 | H012 | 180.0° | 55.5° |
| C03 | C02 | C01 | H011 | 60.0° | 64.4° |
| C03 | C02 | C01 | H013 | 60.0° | 175.6° |
| C03 | C02 | H021 | H022 | 120.3° | 119.9° |
| C03 | N04 | C05 | N06 | 179.9° | 179.9° |
| C03 | N04 | C05 | N07 | 0.2° | 0.0° |
| N04 | C03 | C10 | C08 | 0.5° | 0.0° |
| N04 | C03 | C10 | O11 | 179.8° | 179.8° |
| N04 | C03 | C02 | H021 | 53.7° | 31.2° |
| N04 | C03 | C02 | H022 | 173.9° | 151.1° |
| N04 | C05 | N06 | N07 | 179.9° | 179.9° |
| N04 | C05 | N07 | C08 | 0.7° | 0.0° |
| C05 | N04 | C03 | C10 | 0.8° | 0.0° |
| N04 | C05 | N06 | H062 | 0.0° | 0.1° |
| N04 | C05 | N06 | H061 | 120.0° | 180.0° |
| N06 | C05 | N07 | C08 | 179.2° | 180.0° |
| C05 | N06 | H062 | H061 | 120.0° | 180.0° |
| C05 | N07 | C08 | N09 | 179.7° | 180.0° |
| C05 | N07 | C08 | C10 | 1.0° | 0.1° |
| N07 | C05 | N06 | H062 | 180.0° | 180.0° |
| N07 | C05 | N06 | H061 | 59.9° | 0.0° |
| N07 | C08 | N09 | C10 | 179.3° | 179.9° |
| N07 | C08 | C10 | O11 | 179.2° | 179.7° |
| N07 | C08 | C10 | C03 | 0.5° | 0.0° |
| N07 | C08 | N09 | H092 | 0.0° | 180.0° |
| N07 | C08 | N09 | H091 | 120.0° | 0.0° |
| N09 | C08 | C10 | O11 | 0.0° | 0.2° |
| N09 | C08 | C10 | C03 | 179.8° | 180.0° |
| C08 | N09 | H092 | H091 | 120.0° | 180.0° |
| C08 | C10 | O11 | C03 | 179.7° | 179.8° |
| C08 | C10 | O11 | C12 | 83.8° | 86.2° |
| C10 | C08 | N09 | H092 | 179.3° | 0.0° |
| C10 | C08 | N09 | H091 | 60.7° | 180.0° |
| C10 | O11 | C12 | C13 | 167.5° | 175.3° |
| C10 | O11 | C12 | H121 | 47.3° | 55.4° |
| C10 | O11 | C12 | H122 | 72.3° | 64.6° |
| O11 | C12 | C13 | H121 | 120.2° | 119.9° |
| O11 | C12 | C13 | H122 | 120.2° | 120.0° |
| O11 | C12 | C13 | C14 | 68.0° | 179.9° |
| C12 | O11 | C10 | C03 | 95.9° | 93.5° |
| O11 | C12 | C13 | H132 | 172.0° | 59.9° |
| O11 | C12 | C13 | H131 | 51.9° | 60.0° |
| O11 | C12 | H121 | H122 | 119.3° | 120.0° |
| C12 | C13 | C14 | H132 | 120.0° | 120.0° |
| C12 | C13 | C14 | H131 | 119.9° | 120.0° |
| C12 | C13 | C14 | O15 | 64.4° | 179.9° |
| C12 | C13 | H132 | H131 | 120.2° | 120.0° |
| C13 | C12 | H121 | H122 | 119.3° | 120.0° |
| C12 | C13 | C14 | H142 | 176.2° | 60.0° |
| C12 | C13 | C14 | H141 | 55.0° | 60.0° |
| C13 | C14 | O15 | H142 | 119.4° | 119.9° |
| C13 | C14 | O15 | H141 | 119.4° | 120.0° |
| C13 | C14 | O15 | C16 | 178.2° | 180.0° |
| C14 | C13 | H132 | H131 | 120.2° | 120.1° |
| C14 | C13 | C12 | H121 | 52.2° | 60.0° |
| C14 | C13 | C12 | H122 | 171.8° | 60.0° |
| C13 | C14 | H142 | H141 | 121.8° | 120.0° |
| C14 | O15 | C16 | C17 | 0.5° | 0.0° |
| C14 | O15 | C16 | C21 | 179.6° | 180.0° |
| O15 | C14 | C13 | H132 | 55.6° | 60.1° |
| O15 | C14 | C13 | H131 | 175.7° | 60.0° |
| O15 | C14 | H142 | H141 | 121.7° | 120.1° |
| O15 | C16 | C17 | C21 | 179.9° | 180.0° |
| O15 | C16 | C17 | C18 | 179.7° | 179.7° |
| O15 | C16 | C21 | C20 | 179.5° | 179.5° |
| O15 | C16 | C21 | C22 | 0.5° | 0.0° |
| O15 | C16 | C17 | H171 | 0.3° | 0.0° |
| C16 | O15 | C14 | H142 | 62.4° | 60.1° |
| C16 | O15 | C14 | H141 | 58.8° | 60.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C17 | C16 | C21 | C20 | 0.5° | 0.5° |
| C17 | C16 | C21 | C22 | 179.5° | 180.0° |
| C16 | C17 | C18 | H181 | 179.8° | 179.9° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.0° |
| C18 | C17 | C16 | C21 | 0.3° | 0.3° |
| C17 | C18 | C19 | H191 | 179.6° | 179.7° |
| C18 | C19 | C20 | H191 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 0.6° | 0.3° |
| C19 | C18 | C17 | H171 | 179.8° | 179.7° |
| C18 | C19 | C20 | H201 | 179.4° | 180.0° |
| C19 | C20 | C21 | H201 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 179.7° | 180.0° |
| C19 | C20 | C21 | C16 | 0.6° | 0.5° |
| C20 | C19 | C18 | H181 | 179.6° | 179.9° |
| C20 | C21 | C22 | C16 | 179.0° | 179.5° |
| C20 | C21 | C22 | C23 | 45.7° | 95.0° |
| C20 | C21 | C22 | H221 | 75.0° | 25.0° |
| C20 | C21 | C22 | H222 | 166.3° | 144.9° |
| C21 | C20 | C19 | H191 | 179.4° | 180.0° |
| C21 | C22 | C23 | H221 | 120.7° | 120.1° |
| C21 | C22 | C23 | H222 | 120.7° | 120.0° |
| C21 | C22 | C23 | S24 | 157.0° | 180.0° |
| C22 | C21 | C20 | H201 | 0.3° | 0.2° |
| C21 | C22 | H221 | H222 | 118.0° | 120.0° |
| C21 | C22 | C23 | H232 | 83.6° | 60.0° |
| C21 | C22 | C23 | H231 | 37.7° | 60.0° |
| C22 | C23 | S24 | H232 | 119.4° | 120.0° |
| C22 | C23 | S24 | H231 | 119.4° | 120.0° |
| C22 | C23 | S24 | O25 | 55.5° | 68.4° |
| C22 | C23 | S24 | O26 | 76.2° | 68.3° |
| C22 | C23 | S24 | N27 | 167.5° | 180.0° |
| C23 | C22 | C21 | C16 | 135.3° | 84.5° |
| C23 | C22 | H221 | H222 | 117.9° | 120.0° |
| C22 | C23 | H232 | H231 | 121.8° | 120.0° |
| C23 | S24 | O25 | O26 | 126.2° | 131.5° |
| C23 | S24 | O25 | N27 | 110.0° | 111.7° |
| C23 | S24 | O26 | N27 | 112.7° | 111.8° |
| C23 | S24 | N27 | C28 | 64.4° | 65.0° |
| S24 | C23 | C22 | H221 | 36.4° | 60.0° |
| S24 | C23 | C22 | H222 | 82.3° | 60.0° |
| S24 | C23 | H232 | H231 | 121.8° | 120.0° |
| C23 | S24 | N27 | H271 | 115.5° | 115.0° |
| O25 | S24 | O26 | N27 | 122.4° | 116.8° |
| O25 | S24 | N27 | C28 | 177.3° | 51.1° |
| O25 | S24 | C23 | H232 | 63.9° | 171.6° |
| O25 | S24 | C23 | H231 | 174.8° | 51.6° |
| O25 | S24 | N27 | H271 | 2.7° | 128.9° |
| O26 | S24 | N27 | C28 | 52.7° | 178.9° |
| O26 | S24 | C23 | H232 | 164.5° | 51.6° |
| O26 | S24 | C23 | H231 | 43.2° | 171.6° |
| O26 | S24 | N27 | H271 | 127.4° | 1.1° |
| S24 | N27 | C28 | H271 | 180.0° | 180.0° |
| S24 | N27 | C28 | C29 | 178.9° | 180.0° |
| S24 | N27 | C28 | O30 | 0.8° | 0.0° |
| N27 | S24 | C23 | H232 | 48.2° | 60.0° |
| N27 | S24 | C23 | H231 | 73.1° | 60.0° |
| N27 | C28 | C29 | O30 | 179.7° | 180.0° |
| N27 | C28 | C29 | H291 | 179.7° | 60.0° |
| N27 | C28 | C29 | H293 | 59.7° | 180.0° |
| N27 | C28 | C29 | H292 | 60.3° | 60.0° |
| C29 | C28 | N27 | H271 | 1.1° | 0.0° |
| C28 | C29 | H291 | H293 | 120.0° | 120.0° |
| C28 | C29 | H291 | H292 | 120.0° | 120.0° |
| C28 | C29 | H293 | H292 | 120.0° | 119.9° |
| O30 | C28 | N27 | H271 | 179.2° | 180.0° |
| O30 | C28 | C29 | H291 | 0.0° | 120.0° |
| O30 | C28 | C29 | H293 | 120.0° | 0.0° |
| O30 | C28 | C29 | H292 | 120.0° | 120.0° |
| C10 | C03 | C02 | H021 | 125.7° | 148.8° |
| C10 | C03 | C02 | H022 | 5.5° | 28.9° |
| C21 | C16 | C17 | H171 | 179.7° | 180.0° |
| C16 | C21 | C20 | H201 | 179.3° | 179.8° |
| C16 | C21 | C22 | H221 | 104.0° | 155.5° |
| C16 | C21 | C22 | H222 | 14.7° | 35.5° |
| H132 | C13 | C12 | H121 | 67.7° | 60.0° |
| H132 | C13 | C12 | H122 | 51.8° | 180.0° |
| H132 | C13 | C14 | H142 | 63.8° | 180.0° |
| H132 | C13 | C14 | H141 | 175.0° | 60.0° |
| H131 | C13 | C12 | H121 | 172.2° | 180.0° |
| H131 | C13 | C12 | H122 | 68.3° | 60.0° |
| H131 | C13 | C14 | H142 | 56.3° | 59.9° |
| H131 | C13 | C14 | H141 | 64.9° | 180.0° |
| H171 | C17 | C18 | H181 | 0.2° | 0.2° |
| H201 | C20 | C19 | H191 | 0.7° | 0.3° |
| H221 | C22 | C23 | H232 | 155.7° | 180.0° |
| H221 | C22 | C23 | H231 | 83.0° | 60.1° |
| H222 | C22 | C23 | H232 | 37.1° | 60.0° |
| H222 | C22 | C23 | H231 | 158.3° | 180.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 60.1° | 64.5° |
| H012 | C01 | C02 | H022 | 60.1° | 175.5° |
| H011 | C01 | C02 | H021 | 59.8° | 175.6° |
| H011 | C01 | C02 | H022 | 179.9° | 55.6° |
| H013 | C01 | C02 | H021 | 179.9° | 55.6° |
| H013 | C01 | C02 | H022 | 59.9° | 64.4° |
| H181 | C18 | C19 | H191 | 0.4° | 0.2° |
| H291 | C29 | H293 | H292 | 120.0° | 120.0° |
