GFN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| N07 | C02 | sing | 1.47Å | 1.43Å | |
| N07 | C06 | sing | 1.47Å | 1.43Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C03 | N04 | sing | 1.47Å | 1.43Å | |
| C15 | O14 | sing | 1.43Å | 1.43Å | |
| C05 | N04 | sing | 1.47Å | 1.43Å | |
| O14 | C13 | sing | 1.36Å | 1.42Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| N04 | C08 | sing | 1.40Å | 1.47Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | N16 | sing | 1.46Å | 1.44Å | |
| C13 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| N16 | C12 | sing | 1.38Å | 1.39Å | |
| N16 | C17 | sing | 1.34Å | 1.35Å | |
| C12 | C11 | doub | 1.41Å | 1.39Å | Aromatic |
| C09 | F27 | sing | 1.35Å | 1.34Å | |
| C09 | C10 | doub | 1.37Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | |
| C11 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C19 | sing | 1.47Å | 1.42Å | |
| C18 | C19 | sing | 1.47Å | 1.40Å | |
| C18 | C21 | sing | 1.47Å | 1.52Å | |
| C19 | O20 | doub | 1.22Å | 1.22Å | |
| O22 | C21 | doub | 1.22Å | 1.26Å | |
| C21 | O23 | sing | 1.35Å | 1.26Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| N07 | H071 | sing | 1.01Å | 1.00Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| O23 | H2 | sing | 0.97Å | 0.95Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N07 | 110.3° | 109.5° |
| C01 | C02 | C03 | 109.1° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.3° | 109.5° |
| C02 | N07 | C06 | 112.5° | 110.9° |
| N07 | C02 | C03 | 110.9° | 109.4° |
| N07 | C02 | H021 | 109.7° | 109.4° |
| C02 | N07 | H071 | 108.7° | 111.0° |
| N07 | C06 | C05 | 112.6° | 109.4° |
| N07 | C06 | H062 | 108.7° | 109.5° |
| N07 | C06 | H061 | 108.7° | 109.6° |
| C06 | N07 | H071 | 108.7° | 111.0° |
| C02 | C03 | N04 | 110.4° | 109.4° |
| C03 | C02 | H021 | 108.6° | 109.5° |
| C02 | C03 | H032 | 109.2° | 109.5° |
| C02 | C03 | H031 | 109.3° | 109.5° |
| C06 | C05 | N04 | 111.0° | 109.4° |
| C06 | C05 | H051 | 109.1° | 109.5° |
| C06 | C05 | H052 | 109.1° | 109.5° |
| C05 | C06 | H062 | 108.7° | 109.4° |
| C05 | C06 | H061 | 108.7° | 109.4° |
| C03 | N04 | C05 | 114.8° | 110.9° |
| C03 | N04 | C08 | 117.1° | 111.0° |
| N04 | C03 | H032 | 109.3° | 109.5° |
| N04 | C03 | H031 | 109.2° | 109.4° |
| C15 | O14 | C13 | 111.8° | 117.0° |
| O14 | C15 | H151 | 109.5° | 109.5° |
| O14 | C15 | H153 | 109.4° | 109.5° |
| O14 | C15 | H152 | 109.5° | 109.5° |
| C05 | N04 | C08 | 116.2° | 111.0° |
| N04 | C05 | H051 | 109.1° | 109.4° |
| N04 | C05 | H052 | 109.1° | 109.5° |
| O14 | C13 | C08 | 118.3° | 120.1° |
| O14 | C13 | C12 | 121.0° | 120.1° |
| C24 | C25 | C26 | 60.2° | 60.0° |
| C25 | C24 | C26 | 59.6° | 60.0° |
| C25 | C24 | N16 | 137.3° | 117.5° |
| C25 | C24 | H241 | 109.4° | 117.5° |
| C24 | C25 | H252 | 120.0° | 117.5° |
| C24 | C25 | H251 | 120.0° | 117.5° |
| C25 | C26 | C24 | 60.2° | 60.0° |
| C26 | C25 | H252 | 120.0° | 117.5° |
| C26 | C25 | H251 | 120.0° | 117.5° |
| C25 | C26 | H262 | 120.0° | 117.5° |
| C25 | C26 | H261 | 120.0° | 117.5° |
| N04 | C08 | C13 | 123.6° | 119.7° |
| N04 | C08 | C09 | 117.1° | 119.8° |
| C26 | C24 | N16 | 118.3° | 117.5° |
| C26 | C24 | H241 | 109.4° | 117.5° |
| C24 | C26 | H262 | 120.0° | 117.5° |
| C24 | C26 | H261 | 120.0° | 117.5° |
| C24 | N16 | C12 | 123.3° | 118.6° |
| C24 | N16 | C17 | 115.1° | 118.7° |
| N16 | C24 | H241 | 110.5° | 115.5° |
| C08 | C13 | C12 | 120.6° | 119.7° |
| C13 | C08 | C09 | 119.3° | 120.5° |
| C13 | C12 | N16 | 124.3° | 120.5° |
| C13 | C12 | C11 | 118.7° | 119.2° |
| C08 | C09 | F27 | 119.6° | 119.8° |
| C08 | C09 | C10 | 120.5° | 120.4° |
| C12 | N16 | C17 | 121.7° | 122.7° |
| N16 | C12 | C11 | 117.0° | 120.3° |
| N16 | C17 | C18 | 122.2° | 122.2° |
| N16 | C17 | H171 | 118.9° | 118.9° |
| C12 | C11 | C10 | 120.3° | 120.3° |
| C12 | C11 | C19 | 122.2° | 118.6° |
| F27 | C09 | C10 | 119.9° | 119.8° |
| C09 | C10 | C11 | 120.5° | 119.9° |
| C09 | C10 | H101 | 119.8° | 120.1° |
| C17 | C18 | C19 | 118.7° | 118.9° |
| C17 | C18 | C21 | 117.6° | 120.6° |
| C18 | C17 | H171 | 118.9° | 118.9° |
| C10 | C11 | C19 | 117.4° | 121.1° |
| C11 | C10 | H101 | 119.7° | 120.1° |
| C11 | C19 | C18 | 118.2° | 117.2° |
| C11 | C19 | O20 | 120.7° | 121.4° |
| C19 | C18 | C21 | 123.7° | 120.5° |
| C18 | C19 | O20 | 121.2° | 121.4° |
| C18 | C21 | O22 | 118.3° | 120.0° |
| C18 | C21 | O23 | 121.3° | 120.0° |
| O22 | C21 | O23 | 120.4° | 120.0° |
| C21 | O23 | H2 | 109.5° | 117.0° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H032 | C03 | H031 | 109.4° | 109.6° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H153 | C15 | H152 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 115.6° |
| H262 | C26 | H261 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N07 | C03 | 120.9° | 120.0° |
| C01 | C02 | N07 | H021 | 119.2° | 120.0° |
| C01 | C02 | N07 | C06 | 176.8° | 179.3° |
| C01 | C02 | C03 | H021 | 117.8° | 120.1° |
| C01 | C02 | C03 | N04 | 176.7° | 178.4° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.1° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H032 | 63.1° | 61.7° |
| C01 | C02 | C03 | H031 | 56.5° | 58.4° |
| C01 | C02 | N07 | H071 | 56.3° | 55.5° |
| C02 | N07 | C06 | H071 | 120.4° | 123.8° |
| N07 | C02 | C03 | H021 | 120.6° | 119.9° |
| C02 | N07 | C06 | C05 | 53.2° | 59.3° |
| N07 | C02 | C03 | N04 | 55.1° | 58.4° |
| N07 | C02 | C01 | H011 | 180.0° | 179.9° |
| N07 | C02 | C01 | H012 | 60.0° | 60.1° |
| N07 | C02 | C01 | H013 | 60.0° | 59.9° |
| N07 | C02 | C03 | H032 | 175.2° | 178.3° |
| N07 | C02 | C03 | H031 | 65.1° | 61.5° |
| C02 | N07 | C06 | H062 | 173.7° | 60.6° |
| C02 | N07 | C06 | H061 | 67.2° | 179.2° |
| C06 | N07 | C02 | C03 | 55.9° | 59.3° |
| N07 | C06 | C05 | H062 | 120.5° | 120.0° |
| N07 | C06 | C05 | H061 | 120.4° | 120.0° |
| N07 | C06 | C05 | N04 | 49.3° | 58.4° |
| C06 | N07 | C02 | H021 | 64.0° | 60.7° |
| N07 | C06 | C05 | H051 | 71.0° | 178.3° |
| N07 | C06 | C05 | H052 | 169.5° | 61.6° |
| N07 | C06 | H062 | H061 | 118.5° | 120.2° |
| C02 | C03 | N04 | H032 | 120.1° | 120.0° |
| C02 | C03 | N04 | H031 | 120.2° | 120.0° |
| C02 | C03 | N04 | C05 | 54.0° | 59.3° |
| C02 | C03 | N04 | C08 | 164.3° | 176.8° |
| C03 | C02 | C01 | H011 | 58.0° | 60.0° |
| C03 | C02 | C01 | H012 | 178.0° | 180.0° |
| C03 | C02 | C01 | H013 | 62.0° | 60.0° |
| C02 | C03 | H032 | H031 | 119.6° | 120.1° |
| C03 | C02 | N07 | H071 | 64.6° | 64.5° |
| C06 | C05 | N04 | C03 | 50.8° | 59.3° |
| C06 | C05 | N04 | H051 | 120.2° | 120.0° |
| C06 | C05 | N04 | H052 | 120.2° | 120.0° |
| C06 | C05 | N04 | C08 | 167.2° | 176.8° |
| C06 | C05 | H051 | H052 | 119.3° | 120.1° |
| C05 | C06 | H062 | H061 | 118.6° | 120.0° |
| C05 | C06 | N07 | H071 | 67.2° | 64.6° |
| C03 | N04 | C05 | C08 | 142.0° | 123.9° |
| C03 | N04 | C08 | C13 | 41.7° | 120.3° |
| C03 | N04 | C08 | C09 | 137.3° | 60.0° |
| N04 | C03 | C02 | H021 | 65.5° | 61.5° |
| N04 | C03 | H032 | H031 | 119.6° | 120.0° |
| C03 | N04 | C05 | H051 | 69.4° | 179.3° |
| C03 | N04 | C05 | H052 | 171.0° | 60.7° |
| C15 | O14 | C13 | C08 | 89.1° | 90.0° |
| C15 | O14 | C13 | C12 | 89.8° | 89.8° |
| O14 | C15 | H151 | H153 | 120.0° | 120.0° |
| O14 | C15 | H151 | H152 | 120.0° | 120.0° |
| O14 | C15 | H153 | H152 | 120.0° | 120.0° |
| C05 | N04 | C08 | C13 | 99.4° | 116.0° |
| C05 | N04 | C08 | C09 | 81.6° | 63.8° |
| C05 | N04 | C03 | H032 | 174.2° | 179.3° |
| C05 | N04 | C03 | H031 | 66.1° | 60.7° |
| N04 | C05 | H051 | H052 | 119.3° | 120.0° |
| N04 | C05 | C06 | H062 | 169.7° | 61.6° |
| N04 | C05 | C06 | H061 | 71.2° | 178.4° |
| O14 | C13 | C08 | N04 | 1.5° | 0.1° |
| O14 | C13 | C08 | C12 | 178.9° | 179.8° |
| O14 | C13 | C08 | C09 | 179.6° | 179.7° |
| O14 | C13 | C12 | N16 | 0.9° | 0.1° |
| O14 | C13 | C12 | C11 | 179.3° | 179.7° |
| C13 | O14 | C15 | H151 | 180.0° | 179.9° |
| C13 | O14 | C15 | H153 | 60.0° | 60.0° |
| C13 | O14 | C15 | H152 | 60.0° | 60.0° |
| C24 | C25 | C26 | H252 | 109.5° | 107.5° |
| C24 | C25 | C26 | H251 | 109.5° | 107.5° |
| C25 | C24 | C26 | N16 | 130.7° | 107.5° |
| C25 | C24 | C26 | H241 | 101.6° | 107.5° |
| C25 | C24 | N16 | H241 | 158.2° | 145.7° |
| C25 | C24 | N16 | C12 | 72.1° | 178.5° |
| C25 | C24 | N16 | C17 | 107.2° | 1.5° |
| C24 | C25 | H252 | H251 | 144.6° | 145.8° |
| C24 | C25 | C26 | H262 | 109.5° | 107.5° |
| C24 | C25 | C26 | H261 | 109.5° | 107.5° |
| C26 | C25 | H252 | H251 | 144.6° | 145.7° |
| C25 | C26 | H262 | H261 | 144.7° | 145.6° |
| N04 | C08 | C13 | C09 | 178.9° | 179.8° |
| N04 | C08 | C13 | C12 | 179.6° | 179.7° |
| N04 | C08 | C09 | F27 | 0.8° | 0.0° |
| N04 | C08 | C09 | C10 | 179.5° | 180.0° |
| C08 | N04 | C03 | H032 | 44.2° | 56.9° |
| C08 | N04 | C03 | H031 | 75.5° | 63.2° |
| C08 | N04 | C05 | H051 | 72.6° | 56.8° |
| C08 | N04 | C05 | H052 | 46.9° | 63.2° |
| C26 | C24 | N16 | H241 | 127.2° | 145.7° |
| C26 | C24 | N16 | C12 | 146.7° | 112.8° |
| C26 | C24 | N16 | C17 | 32.5° | 67.2° |
| C24 | C26 | H262 | H261 | 144.6° | 145.8° |
| C24 | N16 | C12 | C13 | 0.6° | 0.2° |
| C24 | N16 | C12 | C17 | 179.2° | 180.0° |
| C24 | N16 | C12 | C11 | 179.2° | 180.0° |
| C24 | N16 | C17 | C18 | 179.5° | 180.0° |
| C24 | N16 | C17 | H171 | 0.5° | 0.0° |
| N16 | C24 | C25 | H252 | 9.5° | 0.1° |
| N16 | C24 | C25 | H251 | 150.4° | 145.0° |
| N16 | C24 | C26 | H262 | 21.2° | 145.1° |
| N16 | C24 | C26 | H261 | 119.8° | 0.0° |
| C08 | C13 | C12 | N16 | 179.7° | 179.7° |
| C08 | C13 | C12 | C11 | 0.5° | 0.5° |
| C13 | C08 | C09 | F27 | 179.8° | 179.8° |
| C13 | C08 | C09 | C10 | 0.5° | 0.3° |
| C12 | C13 | C08 | C09 | 0.7° | 0.5° |
| C13 | C12 | N16 | C11 | 179.8° | 179.8° |
| C13 | C12 | N16 | C17 | 179.7° | 179.8° |
| C13 | C12 | C11 | C10 | 0.1° | 0.2° |
| C13 | C12 | C11 | C19 | 179.7° | 179.8° |
| C08 | C09 | F27 | C10 | 179.7° | 180.0° |
| C08 | C09 | C10 | C11 | 0.2° | 0.0° |
| C08 | C09 | C10 | H101 | 179.8° | 180.0° |
| C12 | N16 | C17 | C18 | 0.2° | 0.0° |
| N16 | C12 | C11 | C10 | 179.9° | 179.9° |
| N16 | C12 | C11 | C19 | 0.1° | 0.0° |
| C12 | N16 | C17 | H171 | 179.8° | 180.0° |
| C12 | N16 | C24 | H241 | 86.1° | 32.8° |
| C17 | N16 | C12 | C11 | 0.1° | 0.0° |
| N16 | C17 | C18 | H171 | 180.0° | 180.0° |
| N16 | C17 | C18 | C19 | 0.4° | 0.0° |
| N16 | C17 | C18 | C21 | 179.5° | 180.0° |
| C17 | N16 | C24 | H241 | 94.6° | 147.2° |
| C12 | C11 | C10 | C09 | 0.0° | 0.0° |
| C12 | C11 | C10 | C19 | 179.8° | 180.0° |
| C12 | C11 | C19 | C18 | 0.3° | 0.0° |
| C12 | C11 | C19 | O20 | 179.8° | 180.0° |
| C12 | C11 | C10 | H101 | 180.0° | 180.0° |
| F27 | C09 | C10 | C11 | 179.9° | 180.0° |
| F27 | C09 | C10 | H101 | 0.1° | 0.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.9° |
| C09 | C10 | C11 | C19 | 179.9° | 180.0° |
| C17 | C18 | C19 | C11 | 0.5° | 0.0° |
| C17 | C18 | C19 | C21 | 179.0° | 180.0° |
| C17 | C18 | C19 | O20 | 179.6° | 179.9° |
| C17 | C18 | C21 | O22 | 11.9° | 0.0° |
| C17 | C18 | C21 | O23 | 166.4° | 180.0° |
| C10 | C11 | C19 | C18 | 179.9° | 179.9° |
| C10 | C11 | C19 | O20 | 0.0° | 0.0° |
| C11 | C19 | C18 | O20 | 179.9° | 179.9° |
| C11 | C19 | C18 | C21 | 179.5° | 180.0° |
| C19 | C11 | C10 | H101 | 0.1° | 0.1° |
| C19 | C18 | C21 | O22 | 169.0° | 180.0° |
| C19 | C18 | C21 | O23 | 12.6° | 0.0° |
| C19 | C18 | C17 | H171 | 179.6° | 180.0° |
| C21 | C18 | C19 | O20 | 0.6° | 0.1° |
| C18 | C21 | O22 | O23 | 178.3° | 180.0° |
| C21 | C18 | C17 | H171 | 0.5° | 0.0° |
| C18 | C21 | O23 | H2 | 178.3° | 180.0° |
| O22 | C21 | O23 | H2 | 0.0° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 59.9° | 60.1° |
| H012 | C01 | C02 | H021 | 60.1° | 59.9° |
| H013 | C01 | C02 | H021 | 179.9° | 179.8° |
| H021 | C02 | C03 | H032 | 54.7° | 58.4° |
| H021 | C02 | C03 | H031 | 174.4° | 178.5° |
| H021 | C02 | N07 | H071 | 175.5° | 175.5° |
| H051 | C05 | C06 | H062 | 49.5° | 58.4° |
| H051 | C05 | C06 | H061 | 168.6° | 61.7° |
| H052 | C05 | C06 | H062 | 70.1° | 178.4° |
| H052 | C05 | C06 | H061 | 49.0° | 58.4° |
| H062 | C06 | N07 | H071 | 53.3° | 175.5° |
| H061 | C06 | N07 | H071 | 172.3° | 55.4° |
| H151 | C15 | H153 | H152 | 120.0° | 120.0° |
| H241 | C24 | C25 | H252 | 148.8° | 145.1° |
| H241 | C24 | C25 | H251 | 7.9° | 0.0° |
| H241 | C24 | C26 | H262 | 148.9° | 0.1° |
| H241 | C24 | C26 | H261 | 7.9° | 145.0° |
| H252 | C25 | C26 | H262 | 0.0° | 145.0° |
| H252 | C25 | C26 | H261 | 141.0° | 0.0° |
| H251 | C25 | C26 | H262 | 140.9° | 0.0° |
| H251 | C25 | C26 | H261 | 0.0° | 145.0° |
