GI6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| N04 | C03 | doub | 1.33Å | 1.34Å | Aromatic |
| C05 | N04 | sing | 1.32Å | 1.33Å | Aromatic |
| N06 | C05 | sing | 1.39Å | 1.35Å | |
| N07 | C05 | doub | 1.32Å | 1.34Å | Aromatic |
| C08 | N07 | sing | 1.33Å | 1.32Å | Aromatic |
| N09 | C08 | sing | 1.39Å | 1.35Å | |
| C10 | C08 | doub | 1.40Å | 1.42Å | Aromatic |
| O11 | C10 | sing | 1.36Å | 1.39Å | |
| C12 | O11 | sing | 1.43Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| O15 | C14 | sing | 1.43Å | 1.44Å | |
| C16 | O15 | sing | 1.36Å | 1.38Å | |
| C17 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C25 | C23 | sing | 1.51Å | 1.51Å | |
| N26 | C25 | sing | 1.35Å | 1.36Å | |
| O27 | C25 | doub | 1.21Å | 1.23Å | |
| C03 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.39Å | 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 | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| N06 | H062 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N09 | H092 | sing | 0.97Å | 1.00Å | |
| N26 | H262 | sing | 0.97Å | 1.00Å | |
| N26 | H261 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 113.0° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C01 | C02 | H021 | 108.6° | 109.4° |
| C01 | C02 | H022 | 108.6° | 109.5° |
| C02 | C03 | N04 | 118.1° | 120.4° |
| C02 | C03 | C10 | 121.9° | 120.3° |
| C03 | C02 | H021 | 108.6° | 109.4° |
| C03 | C02 | H022 | 108.6° | 109.5° |
| C03 | N04 | C05 | 118.9° | 121.0° |
| N04 | C03 | C10 | 119.9° | 119.3° |
| N04 | C05 | N06 | 117.8° | 119.1° |
| N04 | C05 | N07 | 124.8° | 121.7° |
| N06 | C05 | N07 | 117.5° | 119.2° |
| C05 | N06 | H062 | 109.5° | 120.0° |
| C05 | N06 | H061 | 109.5° | 120.0° |
| C05 | N07 | C08 | 117.3° | 120.7° |
| N07 | C08 | N09 | 117.7° | 120.5° |
| N07 | C08 | C10 | 120.8° | 119.0° |
| N09 | C08 | C10 | 121.6° | 120.5° |
| C08 | N09 | H091 | 109.5° | 120.0° |
| C08 | N09 | H092 | 109.5° | 120.0° |
| C08 | C10 | O11 | 120.2° | 120.8° |
| C08 | C10 | C03 | 118.3° | 118.3° |
| C10 | O11 | C12 | 112.1° | 117.0° |
| O11 | C10 | C03 | 121.5° | 120.8° |
| O11 | C12 | C13 | 106.0° | 109.5° |
| O11 | C12 | H121 | 110.4° | 109.5° |
| O11 | C12 | H122 | 110.4° | 109.5° |
| C12 | C13 | C14 | 109.2° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H131 | 109.6° | 109.5° |
| C13 | C12 | H121 | 110.3° | 109.5° |
| C13 | C12 | H122 | 110.3° | 109.5° |
| C13 | C14 | O15 | 104.5° | 109.5° |
| C14 | C13 | H132 | 109.6° | 109.5° |
| C14 | C13 | H131 | 109.5° | 109.4° |
| C13 | C14 | H141 | 110.7° | 109.5° |
| C13 | C14 | H142 | 110.7° | 109.4° |
| C14 | O15 | C16 | 120.3° | 117.1° |
| O15 | C14 | H141 | 110.7° | 109.5° |
| O15 | C14 | H142 | 110.7° | 109.5° |
| O15 | C16 | C17 | 123.0° | 120.0° |
| O15 | C16 | C21 | 116.4° | 120.1° |
| C16 | C17 | C18 | 120.5° | 120.0° |
| C17 | C16 | C21 | 120.6° | 119.9° |
| C16 | C17 | H171 | 119.7° | 120.0° |
| C17 | C18 | C19 | 119.2° | 120.0° |
| C18 | C17 | H171 | 119.7° | 120.0° |
| C17 | C18 | H181 | 120.4° | 120.0° |
| C18 | C19 | C20 | 120.0° | 120.1° |
| C19 | C18 | H181 | 120.4° | 119.9° |
| C18 | C19 | H191 | 120.0° | 120.0° |
| C19 | C20 | C21 | 121.4° | 120.0° |
| C19 | C20 | H201 | 119.3° | 120.0° |
| C20 | C19 | H191 | 120.0° | 119.9° |
| C20 | C21 | C22 | 122.0° | 120.0° |
| C20 | C21 | C16 | 118.3° | 120.0° |
| C21 | C20 | H201 | 119.3° | 120.0° |
| C21 | C22 | C23 | 112.6° | 109.5° |
| C22 | C21 | C16 | 119.7° | 120.0° |
| C21 | C22 | H221 | 108.7° | 109.5° |
| C21 | C22 | H222 | 108.7° | 109.4° |
| C22 | C23 | C24 | 114.3° | 109.5° |
| C22 | C23 | C25 | 107.9° | 109.5° |
| C23 | C22 | H221 | 108.7° | 109.5° |
| C23 | C22 | H222 | 108.7° | 109.5° |
| C22 | C23 | H231 | 109.3° | 109.5° |
| C24 | C23 | C25 | 106.6° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H241 | 109.5° | 109.4° |
| C23 | C24 | H243 | 109.4° | 109.4° |
| C24 | C23 | H231 | 109.1° | 109.5° |
| C23 | C25 | N26 | 112.9° | 120.0° |
| C23 | C25 | O27 | 123.1° | 120.0° |
| C25 | C23 | H231 | 109.6° | 109.5° |
| N26 | C25 | O27 | 124.0° | 120.0° |
| C25 | N26 | H262 | 120.0° | 120.0° |
| C25 | N26 | H261 | 120.0° | 120.0° |
| H132 | C13 | H131 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H021 | C02 | H022 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H062 | N06 | H061 | 109.5° | 120.0° |
| H091 | N09 | H092 | 109.5° | 119.9° |
| H262 | N26 | H261 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H021 | 120.5° | 119.9° |
| C01 | C02 | C03 | H022 | 120.5° | 120.0° |
| C01 | C02 | C03 | N04 | 55.1° | 88.9° |
| C01 | C02 | C03 | C10 | 124.5° | 91.1° |
| C02 | C01 | H013 | H011 | 120.0° | 120.1° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 118.4° | 120.1° |
| C02 | C03 | N04 | C10 | 179.6° | 180.0° |
| C02 | C03 | N04 | C05 | 180.0° | 180.0° |
| C02 | C03 | C10 | C08 | 179.9° | 180.0° |
| C02 | C03 | C10 | O11 | 0.7° | 0.3° |
| C03 | C02 | C01 | H013 | 180.0° | 175.6° |
| C03 | C02 | C01 | H011 | 60.0° | 55.5° |
| C03 | C02 | C01 | H012 | 60.0° | 64.5° |
| C03 | C02 | H021 | H022 | 118.4° | 120.0° |
| C03 | N04 | C05 | N06 | 179.5° | 180.0° |
| C03 | N04 | C05 | N07 | 0.2° | 0.0° |
| N04 | C03 | C10 | C08 | 0.3° | 0.0° |
| N04 | C03 | C10 | O11 | 178.8° | 179.7° |
| N04 | C03 | C02 | H021 | 65.4° | 31.1° |
| N04 | C03 | C02 | H022 | 175.6° | 151.1° |
| N04 | C05 | N06 | N07 | 179.8° | 180.0° |
| N04 | C05 | N07 | C08 | 0.0° | 0.0° |
| C05 | N04 | C03 | C10 | 0.4° | 0.0° |
| N04 | C05 | N06 | H062 | 0.0° | 0.0° |
| N04 | C05 | N06 | H061 | 120.0° | 180.0° |
| N06 | C05 | N07 | C08 | 179.8° | 180.0° |
| C05 | N06 | H062 | H061 | 120.0° | 180.0° |
| C05 | N07 | C08 | N09 | 179.8° | 180.0° |
| C05 | N07 | C08 | C10 | 0.1° | 0.1° |
| N07 | C05 | N06 | H062 | 179.8° | 179.9° |
| N07 | C05 | N06 | H061 | 59.8° | 0.0° |
| N07 | C08 | N09 | C10 | 179.7° | 180.0° |
| N07 | C08 | C10 | O11 | 179.1° | 179.8° |
| N07 | C08 | C10 | C03 | 0.0° | 0.0° |
| N07 | C08 | N09 | H091 | 0.0° | 180.0° |
| N07 | C08 | N09 | H092 | 120.0° | 0.0° |
| N09 | C08 | C10 | O11 | 1.3° | 0.3° |
| N09 | C08 | C10 | C03 | 179.6° | 180.0° |
| C08 | N09 | H091 | H092 | 120.0° | 179.9° |
| C08 | C10 | O11 | C03 | 179.1° | 179.7° |
| C08 | C10 | O11 | C12 | 92.5° | 86.3° |
| C10 | C08 | N09 | H091 | 179.7° | 0.0° |
| C10 | C08 | N09 | H092 | 59.6° | 180.0° |
| C10 | O11 | C12 | C13 | 169.1° | 175.3° |
| C10 | O11 | C12 | H121 | 71.5° | 55.3° |
| C10 | O11 | C12 | H122 | 49.6° | 64.7° |
| O11 | C12 | C13 | H121 | 119.5° | 120.0° |
| O11 | C12 | C13 | H122 | 119.5° | 120.0° |
| O11 | C12 | C13 | C14 | 167.5° | 180.0° |
| C12 | O11 | C10 | C03 | 86.6° | 93.5° |
| O11 | C12 | C13 | H132 | 72.5° | 60.0° |
| O11 | C12 | C13 | H131 | 47.5° | 60.0° |
| O11 | C12 | H121 | H122 | 121.6° | 120.0° |
| C12 | C13 | C14 | H132 | 120.0° | 120.1° |
| C12 | C13 | C14 | H131 | 120.0° | 120.0° |
| C12 | C13 | C14 | O15 | 91.1° | 180.0° |
| C12 | C13 | H132 | H131 | 120.1° | 120.0° |
| C13 | C12 | H121 | H122 | 121.6° | 120.0° |
| C12 | C13 | C14 | H141 | 28.1° | 60.0° |
| C12 | C13 | C14 | H142 | 149.7° | 60.0° |
| C13 | C14 | O15 | H141 | 119.2° | 120.0° |
| C13 | C14 | O15 | H142 | 119.2° | 120.0° |
| C13 | C14 | O15 | C16 | 160.0° | 180.0° |
| C14 | C13 | H132 | H131 | 120.1° | 120.0° |
| C14 | C13 | C12 | H121 | 48.0° | 60.0° |
| C14 | C13 | C12 | H122 | 73.0° | 60.0° |
| C13 | C14 | H141 | H142 | 122.3° | 120.0° |
| C14 | O15 | C16 | C17 | 12.4° | 0.0° |
| C14 | O15 | C16 | C21 | 166.8° | 180.0° |
| O15 | C14 | C13 | H132 | 149.0° | 60.0° |
| O15 | C14 | C13 | H131 | 28.9° | 60.0° |
| O15 | C14 | H141 | H142 | 122.3° | 120.0° |
| O15 | C16 | C17 | C21 | 179.2° | 180.0° |
| O15 | C16 | C17 | C18 | 179.8° | 179.8° |
| O15 | C16 | C21 | C20 | 179.5° | 179.5° |
| O15 | C16 | C21 | C22 | 0.4° | 0.0° |
| O15 | C16 | C17 | H171 | 0.2° | 0.0° |
| C16 | O15 | C14 | H141 | 40.8° | 60.0° |
| C16 | O15 | C14 | H142 | 80.8° | 60.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 1.1° | 0.1° |
| C17 | C16 | C21 | C20 | 0.3° | 0.5° |
| C17 | C16 | C21 | C22 | 179.6° | 180.0° |
| C16 | C17 | C18 | H181 | 178.9° | 180.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 1.1° | 0.1° |
| C18 | C17 | C16 | C21 | 0.7° | 0.2° |
| C17 | C18 | C19 | H191 | 178.9° | 179.7° |
| C18 | C19 | C20 | H191 | 180.0° | 179.8° |
| C18 | C19 | C20 | C21 | 0.7° | 0.2° |
| C19 | C18 | C17 | H171 | 178.9° | 179.7° |
| C18 | C19 | C20 | H201 | 179.2° | 180.0° |
| C19 | C20 | C21 | H201 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 179.6° | 180.0° |
| C19 | C20 | C21 | C16 | 0.3° | 0.5° |
| C20 | C19 | C18 | H181 | 178.9° | 180.0° |
| C20 | C21 | C22 | C16 | 179.9° | 179.5° |
| C20 | C21 | C22 | C23 | 75.5° | 95.0° |
| C20 | C21 | C22 | H221 | 45.0° | 25.0° |
| C20 | C21 | C22 | H222 | 164.1° | 145.0° |
| C21 | C20 | C19 | H191 | 179.3° | 180.0° |
| C21 | C22 | C23 | H221 | 120.5° | 120.0° |
| C21 | C22 | C23 | H222 | 120.5° | 120.0° |
| C21 | C22 | C23 | C24 | 56.9° | 65.0° |
| C21 | C22 | C23 | C25 | 175.3° | 175.0° |
| C22 | C21 | C20 | H201 | 0.5° | 0.2° |
| C21 | C22 | H221 | H222 | 118.6° | 119.9° |
| C21 | C22 | C23 | H231 | 65.7° | 55.0° |
| C22 | C23 | C24 | C25 | 119.1° | 120.0° |
| C22 | C23 | C24 | H231 | 122.7° | 120.0° |
| C22 | C23 | C25 | H231 | 118.9° | 120.0° |
| C22 | C23 | C25 | N26 | 149.6° | 180.0° |
| C22 | C23 | C25 | O27 | 30.2° | 0.0° |
| C23 | C22 | C21 | C16 | 104.6° | 84.5° |
| C23 | C22 | H221 | H222 | 118.6° | 120.0° |
| C22 | C23 | C24 | H242 | 180.0° | 60.0° |
| C22 | C23 | C24 | H241 | 60.0° | 60.0° |
| C22 | C23 | C24 | H243 | 60.0° | 180.0° |
| C24 | C23 | C25 | H231 | 118.0° | 120.0° |
| C24 | C23 | C25 | N26 | 87.3° | 60.0° |
| C24 | C23 | C25 | O27 | 93.0° | 120.0° |
| C24 | C23 | C22 | H221 | 177.4° | 175.0° |
| C24 | C23 | C22 | H222 | 63.5° | 55.0° |
| C23 | C24 | H242 | H241 | 120.0° | 120.0° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| C23 | C24 | H241 | H243 | 120.0° | 119.9° |
| C23 | C25 | N26 | O27 | 179.7° | 180.0° |
| C25 | C23 | C22 | H221 | 64.2° | 55.0° |
| C25 | C23 | C22 | H222 | 54.8° | 65.0° |
| C25 | C23 | C24 | H242 | 60.9° | 60.0° |
| C25 | C23 | C24 | H241 | 59.0° | 180.0° |
| C25 | C23 | C24 | H243 | 179.0° | 60.0° |
| C23 | C25 | N26 | H262 | 179.7° | 0.0° |
| C23 | C25 | N26 | H261 | 0.3° | 179.9° |
| N26 | C25 | C23 | H231 | 30.7° | 60.0° |
| C25 | N26 | H262 | H261 | 180.0° | 179.9° |
| O27 | C25 | C23 | H231 | 149.0° | 120.0° |
| O27 | C25 | N26 | H262 | 0.0° | 180.0° |
| O27 | C25 | N26 | H261 | 180.0° | 0.1° |
| C10 | C03 | C02 | H021 | 115.0° | 148.9° |
| C10 | C03 | C02 | H022 | 4.0° | 28.9° |
| C21 | C16 | C17 | H171 | 179.3° | 180.0° |
| C16 | C21 | C20 | H201 | 179.7° | 179.7° |
| C16 | C21 | C22 | H221 | 134.9° | 155.5° |
| C16 | C21 | C22 | H222 | 15.8° | 35.5° |
| H132 | C13 | C12 | H121 | 168.0° | 60.0° |
| H132 | C13 | C12 | H122 | 47.0° | 180.0° |
| H132 | C13 | C14 | H141 | 91.8° | 180.0° |
| H132 | C13 | C14 | H142 | 29.7° | 60.0° |
| H131 | C13 | C12 | H121 | 71.9° | 180.0° |
| H131 | C13 | C12 | H122 | 167.0° | 60.0° |
| H131 | C13 | C14 | H141 | 148.1° | 60.0° |
| H131 | C13 | C14 | H142 | 90.3° | 180.0° |
| H171 | C17 | C18 | H181 | 1.1° | 0.2° |
| H201 | C20 | C19 | H191 | 0.8° | 0.2° |
| H221 | C22 | C23 | H231 | 54.8° | 65.0° |
| H222 | C22 | C23 | H231 | 173.9° | 175.0° |
| H242 | C24 | H241 | H243 | 120.0° | 120.1° |
| H242 | C24 | C23 | H231 | 57.3° | 180.0° |
| H241 | C24 | C23 | H231 | 177.3° | 60.0° |
| H243 | C24 | C23 | H231 | 62.7° | 60.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 59.5° | 55.6° |
| H013 | C01 | C02 | H022 | 59.4° | 64.4° |
| H011 | C01 | C02 | H021 | 60.5° | 64.4° |
| H011 | C01 | C02 | H022 | 179.5° | 175.5° |
| H012 | C01 | C02 | H021 | 179.5° | 175.6° |
| H012 | C01 | C02 | H022 | 60.5° | 55.6° |
| H181 | C18 | C19 | H191 | 1.1° | 0.2° |
