GI7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | N07 | sing | 1.47Å | 1.51Å | |
| C05 | N04 | sing | 1.47Å | 1.41Å | |
| N07 | C10 | sing | 1.40Å | 1.45Å | |
| N07 | C08 | sing | 1.47Å | 1.51Å | |
| N04 | C02 | sing | 1.35Å | 1.51Å | |
| N04 | C09 | sing | 1.47Å | 1.45Å | |
| O03 | C02 | doub | 1.21Å | 1.19Å | |
| C19 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| N16 | C15 | doub | 1.30Å | 1.46Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | N17 | sing | 1.37Å | 1.29Å | |
| C15 | N14 | sing | 1.38Å | 1.45Å | |
| C13 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | N14 | sing | 1.40Å | 1.46Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| N17 | H11 | sing | 0.97Å | 1.00Å | |
| N17 | H12 | sing | 0.97Å | 1.00Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| N14 | H18 | sing | 0.97Å | 1.00Å | |
| N16 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C06 | N07 | 114.9° | 109.3° |
| C06 | C05 | N04 | 113.4° | 108.5° |
| C06 | C05 | H4 | 108.5° | 109.6° |
| C06 | C05 | H5 | 108.5° | 109.8° |
| C05 | C06 | H6 | 108.1° | 109.5° |
| C05 | C06 | H7 | 108.1° | 109.5° |
| C06 | N07 | C10 | 119.3° | 111.0° |
| C06 | N07 | C08 | 112.3° | 111.3° |
| N07 | C06 | H6 | 108.1° | 109.5° |
| N07 | C06 | H7 | 108.1° | 109.5° |
| C05 | N04 | C02 | 121.3° | 120.9° |
| C05 | N04 | C09 | 118.8° | 118.2° |
| N04 | C05 | H4 | 108.5° | 109.6° |
| N04 | C05 | H5 | 108.5° | 109.6° |
| C10 | N07 | C08 | 121.3° | 110.9° |
| N07 | C10 | C19 | 118.3° | 120.0° |
| N07 | C10 | C11 | 120.6° | 120.0° |
| N07 | C08 | C09 | 115.9° | 109.3° |
| N07 | C08 | H8 | 107.9° | 109.5° |
| N07 | C08 | H9 | 107.8° | 109.5° |
| C02 | N04 | C09 | 119.8° | 120.9° |
| N04 | C02 | O03 | 119.6° | 119.9° |
| N04 | C02 | C01 | 118.7° | 120.0° |
| N04 | C09 | C08 | 117.9° | 108.5° |
| N04 | C09 | H14 | 107.3° | 109.7° |
| N04 | C09 | H15 | 107.3° | 109.8° |
| O03 | C02 | C01 | 121.7° | 120.0° |
| C10 | C19 | C18 | 119.3° | 120.0° |
| C19 | C10 | C11 | 121.1° | 120.0° |
| C10 | C19 | H17 | 120.4° | 120.0° |
| C19 | C18 | C13 | 119.8° | 120.0° |
| C19 | C18 | H13 | 120.1° | 119.9° |
| C18 | C19 | H17 | 120.3° | 120.0° |
| N16 | C15 | N17 | 120.5° | 120.0° |
| N16 | C15 | N14 | 120.5° | 120.0° |
| C15 | N16 | H19 | 112.0° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C09 | C08 | H8 | 107.8° | 109.5° |
| C09 | C08 | H9 | 107.9° | 109.5° |
| C08 | C09 | H14 | 107.3° | 109.6° |
| C08 | C09 | H15 | 107.3° | 109.6° |
| C10 | C11 | C12 | 119.2° | 120.0° |
| C10 | C11 | H10 | 120.4° | 120.0° |
| C18 | C13 | C12 | 120.6° | 120.0° |
| C18 | C13 | N14 | 118.9° | 120.0° |
| C13 | C18 | H13 | 120.1° | 120.1° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C12 | C11 | H10 | 120.4° | 120.0° |
| C11 | C12 | H16 | 120.0° | 120.0° |
| N17 | C15 | N14 | 119.0° | 120.0° |
| C15 | N17 | H11 | 120.0° | 120.0° |
| C15 | N17 | H12 | 120.0° | 120.0° |
| C15 | N14 | C13 | 120.2° | 120.0° |
| C15 | N14 | H18 | 119.9° | 120.0° |
| C12 | C13 | N14 | 120.4° | 120.0° |
| C13 | C12 | H16 | 120.0° | 120.0° |
| C13 | N14 | H18 | 119.9° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.7° |
| H6 | C06 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H11 | N17 | H12 | 120.0° | 119.9° |
| H14 | C09 | H15 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C06 | N07 | H6 | 120.8° | 119.9° |
| C05 | C06 | N07 | H7 | 120.8° | 119.9° |
| C06 | C05 | N04 | H4 | 120.6° | 119.7° |
| C06 | C05 | N04 | H5 | 120.6° | 119.9° |
| C05 | C06 | N07 | C10 | 110.5° | 172.8° |
| C05 | C06 | N07 | C08 | 40.5° | 63.2° |
| C06 | C05 | N04 | C02 | 162.9° | 128.8° |
| C06 | C05 | N04 | C09 | 19.3° | 51.2° |
| C06 | C05 | H4 | H5 | 118.2° | 120.6° |
| C05 | C06 | H6 | H7 | 117.5° | 120.1° |
| N07 | C06 | C05 | N04 | 53.7° | 53.9° |
| C06 | N07 | C10 | C08 | 148.4° | 124.3° |
| C06 | N07 | C10 | C19 | 6.0° | 0.2° |
| C06 | N07 | C08 | C09 | 2.3° | 63.2° |
| C06 | N07 | C10 | C11 | 174.0° | 180.0° |
| N07 | C06 | C05 | H4 | 174.2° | 65.8° |
| N07 | C06 | C05 | H5 | 66.9° | 173.6° |
| N07 | C06 | H6 | H7 | 117.5° | 120.1° |
| C06 | N07 | C08 | H8 | 118.6° | 176.9° |
| C06 | N07 | C08 | H9 | 123.2° | 56.8° |
| C05 | N04 | C02 | C09 | 177.7° | 179.9° |
| C05 | N04 | C02 | O03 | 1.5° | 8.1° |
| C05 | N04 | C02 | C01 | 178.0° | 172.0° |
| C05 | N04 | C09 | C08 | 24.1° | 51.2° |
| N04 | C05 | H4 | H5 | 118.2° | 120.4° |
| N04 | C05 | C06 | H6 | 174.5° | 66.1° |
| N04 | C05 | C06 | H7 | 67.1° | 173.8° |
| C05 | N04 | C09 | H14 | 97.0° | 170.9° |
| C05 | N04 | C09 | H15 | 145.4° | 68.6° |
| N07 | C10 | C19 | C11 | 179.9° | 179.8° |
| N07 | C10 | C19 | C18 | 179.8° | 179.7° |
| C10 | N07 | C08 | C09 | 152.7° | 172.7° |
| N07 | C10 | C11 | C12 | 179.9° | 179.8° |
| C10 | N07 | C06 | H6 | 10.3° | 67.3° |
| C10 | N07 | C06 | H7 | 128.7° | 52.8° |
| C10 | N07 | C08 | H8 | 31.7° | 52.8° |
| C10 | N07 | C08 | H9 | 86.4° | 67.3° |
| N07 | C10 | C11 | H10 | 0.1° | 0.3° |
| N07 | C10 | C19 | H17 | 0.2° | 0.2° |
| N07 | C08 | C09 | N04 | 35.8° | 53.9° |
| C08 | N07 | C10 | C19 | 142.3° | 124.1° |
| N07 | C08 | C09 | H8 | 120.9° | 119.9° |
| N07 | C08 | C09 | H9 | 120.9° | 120.0° |
| C08 | N07 | C10 | C11 | 37.6° | 55.7° |
| C08 | N07 | C06 | H6 | 161.3° | 56.8° |
| C08 | N07 | C06 | H7 | 80.3° | 176.9° |
| N07 | C08 | H8 | H9 | 117.1° | 120.1° |
| N07 | C08 | C09 | H14 | 85.4° | 173.6° |
| N07 | C08 | C09 | H15 | 157.0° | 66.1° |
| N04 | C02 | O03 | C01 | 179.4° | 179.9° |
| C02 | N04 | C09 | C08 | 153.6° | 128.8° |
| N04 | C02 | C01 | H1 | 179.4° | 2.4° |
| N04 | C02 | C01 | H2 | 59.4° | 117.6° |
| N04 | C02 | C01 | H3 | 60.6° | 122.4° |
| C02 | N04 | C05 | H4 | 42.4° | 111.4° |
| C02 | N04 | C05 | H5 | 76.5° | 9.0° |
| C02 | N04 | C09 | H14 | 85.2° | 9.2° |
| C02 | N04 | C09 | H15 | 32.4° | 111.3° |
| C09 | N04 | C02 | O03 | 179.2° | 172.0° |
| C09 | N04 | C02 | C01 | 0.3° | 8.0° |
| N04 | C09 | C08 | H14 | 121.2° | 119.7° |
| N04 | C09 | C08 | H15 | 121.2° | 119.9° |
| C09 | N04 | C05 | H4 | 139.9° | 68.5° |
| C09 | N04 | C05 | H5 | 101.3° | 171.1° |
| N04 | C09 | C08 | H8 | 85.1° | 173.8° |
| N04 | C09 | C08 | H9 | 156.7° | 66.1° |
| N04 | C09 | H14 | H15 | 116.2° | 120.7° |
| O03 | C02 | C01 | H1 | 0.0° | 177.5° |
| O03 | C02 | C01 | H2 | 120.0° | 62.5° |
| O03 | C02 | C01 | H3 | 120.0° | 57.5° |
| C10 | C19 | C18 | H17 | 180.0° | 179.9° |
| C10 | C19 | C18 | C13 | 0.1° | 0.1° |
| C19 | C10 | C11 | C12 | 0.0° | 0.0° |
| C19 | C10 | C11 | H10 | 180.0° | 179.9° |
| C10 | C19 | C18 | H13 | 179.9° | 180.0° |
| C18 | C19 | C10 | C11 | 0.1° | 0.0° |
| C19 | C18 | C13 | H13 | 180.0° | 179.9° |
| C19 | C18 | C13 | C12 | 0.0° | 0.1° |
| C19 | C18 | C13 | N14 | 179.7° | 180.0° |
| N16 | C15 | N17 | N14 | 179.6° | 180.0° |
| N16 | C15 | N14 | C13 | 0.6° | 174.1° |
| N16 | C15 | N17 | H11 | 179.6° | 175.4° |
| N16 | C15 | N17 | H12 | 0.4° | 4.6° |
| N16 | C15 | N14 | H18 | 179.4° | 5.9° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C09 | C08 | H8 | H9 | 117.1° | 120.1° |
| C08 | C09 | H14 | H15 | 116.2° | 120.3° |
| C10 | C11 | C12 | H10 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H16 | 179.9° | 179.9° |
| C11 | C10 | C19 | H17 | 179.9° | 179.9° |
| C18 | C13 | C12 | C11 | 0.1° | 0.1° |
| C18 | C13 | N14 | C15 | 112.2° | 136.4° |
| C18 | C13 | C12 | N14 | 179.7° | 179.9° |
| C18 | C13 | C12 | H16 | 179.9° | 180.0° |
| C13 | C18 | C19 | H17 | 179.9° | 180.0° |
| C18 | C13 | N14 | H18 | 67.9° | 43.6° |
| C11 | C12 | C13 | H16 | 180.0° | 179.9° |
| C11 | C12 | C13 | N14 | 179.8° | 180.0° |
| N17 | C15 | N14 | C13 | 179.8° | 5.9° |
| C15 | N17 | H11 | H12 | 180.0° | 180.0° |
| N17 | C15 | N14 | H18 | 0.2° | 174.1° |
| N17 | C15 | N16 | H19 | 179.6° | 180.0° |
| C15 | N14 | C13 | C12 | 67.5° | 43.5° |
| C15 | N14 | C13 | H18 | 180.0° | 179.9° |
| N14 | C15 | N17 | H11 | 0.0° | 4.6° |
| N14 | C15 | N17 | H12 | 180.0° | 175.4° |
| N14 | C15 | N16 | H19 | 0.0° | 0.0° |
| C13 | C12 | C11 | H10 | 179.9° | 179.9° |
| C12 | C13 | C18 | H13 | 180.0° | 180.0° |
| C12 | C13 | N14 | H18 | 112.5° | 136.5° |
| N14 | C13 | C18 | H13 | 0.3° | 0.1° |
| N14 | C13 | C12 | H16 | 0.2° | 0.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C05 | C06 | H6 | 65.0° | 174.2° |
| H4 | C05 | C06 | H7 | 53.5° | 54.1° |
| H5 | C05 | C06 | H6 | 53.9° | 53.7° |
| H5 | C05 | C06 | H7 | 172.3° | 66.4° |
| H8 | C08 | C09 | H14 | 153.7° | 66.5° |
| H8 | C08 | C09 | H15 | 36.1° | 53.9° |
| H9 | C08 | C09 | H14 | 35.5° | 53.6° |
| H9 | C08 | C09 | H15 | 82.1° | 173.9° |
| H10 | C11 | C12 | H16 | 0.1° | 0.0° |
| H13 | C18 | C19 | H17 | 0.1° | 0.1° |
