GXN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C13 | sing | 1.89Å | 1.41Å | |
| C13 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.45Å | Aromatic |
| C17 | O02 | sing | 1.43Å | 1.42Å | |
| O02 | C14 | sing | 1.36Å | 1.31Å | |
| C12 | C11 | sing | 1.38Å | 1.36Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.49Å | |
| C11 | C16 | doub | 1.38Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O01 | sing | 1.36Å | 1.39Å | |
| C10 | N01 | sing | 1.47Å | 1.48Å | |
| C18 | O01 | sing | 1.43Å | 1.41Å | |
| N01 | C08 | sing | 1.47Å | 1.48Å | |
| N01 | C09 | sing | 1.47Å | 1.48Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C09 | C05 | sing | 1.51Å | 1.51Å | |
| C07 | C04 | sing | 1.51Å | 1.50Å | |
| C05 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | O03 | sing | 1.36Å | 1.39Å | |
| C19 | O03 | sing | 1.43Å | 1.42Å | |
| C02 | O04 | sing | 1.36Å | 1.39Å | |
| O04 | S01 | sing | 1.52Å | 1.64Å | |
| O06 | S01 | doub | 1.42Å | 1.47Å | |
| S01 | N02 | sing | 1.66Å | 1.69Å | |
| S01 | O05 | doub | 1.42Å | 1.46Å | |
| C10 | H09 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H01 | sing | 1.08Å | 1.08Å | |
| C06 | H02 | sing | 1.08Å | 1.08Å | |
| C07 | H04 | sing | 1.09Å | 1.10Å | |
| C07 | H03 | sing | 1.09Å | 1.10Å | |
| C08 | H06 | sing | 1.09Å | 1.10Å | |
| C08 | H05 | sing | 1.09Å | 1.10Å | |
| C09 | H08 | sing | 1.09Å | 1.10Å | |
| C09 | H07 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N02 | H22 | sing | 0.97Å | 1.00Å | |
| N02 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C13 | C12 | 120.3° | 120.0° |
| BR1 | C13 | C14 | 119.1° | 120.0° |
| C12 | C13 | C14 | 120.6° | 120.0° |
| C13 | C12 | C11 | 118.8° | 120.2° |
| C13 | C12 | H11 | 120.6° | 119.9° |
| C13 | C14 | O02 | 114.7° | 120.1° |
| C13 | C14 | C15 | 119.1° | 119.8° |
| C17 | O02 | C14 | 124.9° | 117.0° |
| O02 | C17 | H13 | 109.5° | 109.5° |
| O02 | C17 | H15 | 109.5° | 109.5° |
| O02 | C17 | H14 | 109.5° | 109.4° |
| O02 | C14 | C15 | 126.2° | 120.1° |
| C12 | C11 | C10 | 117.5° | 120.0° |
| C12 | C11 | C16 | 121.5° | 120.1° |
| C11 | C12 | H11 | 120.6° | 119.9° |
| C14 | C15 | C16 | 118.4° | 119.9° |
| C14 | C15 | O01 | 118.8° | 120.1° |
| C10 | C11 | C16 | 121.0° | 119.9° |
| C11 | C10 | N01 | 112.9° | 109.5° |
| C11 | C10 | H09 | 108.6° | 109.4° |
| C11 | C10 | H10 | 108.6° | 109.5° |
| C11 | C16 | C15 | 121.6° | 120.0° |
| C11 | C16 | H12 | 119.2° | 120.0° |
| C16 | C15 | O01 | 122.8° | 120.0° |
| C15 | C16 | H12 | 119.2° | 120.1° |
| C15 | O01 | C18 | 119.2° | 117.0° |
| C10 | N01 | C08 | 109.8° | 111.0° |
| C10 | N01 | C09 | 112.8° | 111.0° |
| N01 | C10 | H09 | 108.6° | 109.5° |
| N01 | C10 | H10 | 108.6° | 109.5° |
| O01 | C18 | H17 | 109.5° | 109.5° |
| O01 | C18 | H16 | 109.4° | 109.6° |
| O01 | C18 | H18 | 109.5° | 109.5° |
| C08 | N01 | C09 | 108.3° | 110.3° |
| N01 | C08 | C07 | 108.2° | 108.5° |
| N01 | C08 | H06 | 109.8° | 109.7° |
| N01 | C08 | H05 | 109.8° | 109.8° |
| N01 | C09 | C05 | 110.8° | 110.5° |
| N01 | C09 | H08 | 109.1° | 109.2° |
| N01 | C09 | H07 | 109.1° | 109.3° |
| C08 | C07 | C04 | 111.0° | 110.0° |
| C08 | C07 | H04 | 109.1° | 109.4° |
| C08 | C07 | H03 | 109.1° | 109.4° |
| C07 | C08 | H06 | 109.8° | 109.6° |
| C07 | C08 | H05 | 109.8° | 109.6° |
| C09 | C05 | C04 | 121.3° | 121.9° |
| C09 | C05 | C06 | 119.6° | 118.3° |
| C05 | C09 | H08 | 109.1° | 109.3° |
| C05 | C09 | H07 | 109.1° | 109.3° |
| C07 | C04 | C05 | 120.8° | 121.6° |
| C07 | C04 | C03 | 118.8° | 118.4° |
| C04 | C07 | H04 | 109.1° | 109.4° |
| C04 | C07 | H03 | 109.1° | 109.4° |
| C04 | C05 | C06 | 119.1° | 119.8° |
| C05 | C04 | C03 | 120.4° | 120.0° |
| C05 | C06 | C01 | 120.5° | 120.4° |
| C05 | C06 | H02 | 119.7° | 119.8° |
| C04 | C03 | C02 | 120.2° | 120.3° |
| C04 | C03 | H01 | 119.9° | 119.8° |
| C06 | C01 | C02 | 120.0° | 119.7° |
| C06 | C01 | O03 | 118.8° | 120.1° |
| C01 | C06 | H02 | 119.7° | 119.8° |
| C03 | C02 | C01 | 119.8° | 119.7° |
| C03 | C02 | O04 | 121.2° | 120.2° |
| C02 | C03 | H01 | 119.9° | 119.8° |
| C02 | C01 | O03 | 121.2° | 120.1° |
| C01 | C02 | O04 | 119.0° | 120.2° |
| C01 | O03 | C19 | 120.4° | 117.0° |
| O03 | C19 | H21 | 109.5° | 109.5° |
| O03 | C19 | H20 | 109.5° | 109.5° |
| O03 | C19 | H19 | 109.5° | 109.4° |
| C02 | O04 | S01 | 121.0° | 114.0° |
| O04 | S01 | O06 | 109.2° | 106.4° |
| O04 | S01 | N02 | 106.4° | 107.2° |
| O04 | S01 | O05 | 107.1° | 106.4° |
| O06 | S01 | N02 | 109.5° | 106.4° |
| O06 | S01 | O05 | 115.1° | 123.2° |
| N02 | S01 | O05 | 109.2° | 106.4° |
| S01 | N02 | H22 | 109.5° | 120.0° |
| S01 | N02 | H23 | 109.5° | 120.0° |
| H09 | C10 | H10 | 109.4° | 109.5° |
| H13 | C17 | H15 | 109.4° | 109.5° |
| H13 | C17 | H14 | 109.4° | 109.5° |
| H15 | C17 | H14 | 109.5° | 109.5° |
| H04 | C07 | H03 | 109.5° | 109.4° |
| H06 | C08 | H05 | 109.5° | 109.6° |
| H08 | C09 | H07 | 109.5° | 109.2° |
| H17 | C18 | H16 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.5° | 109.4° |
| H16 | C18 | H18 | 109.5° | 109.5° |
| H21 | C19 | H20 | 109.5° | 109.5° |
| H21 | C19 | H19 | 109.5° | 109.4° |
| H20 | C19 | H19 | 109.5° | 109.5° |
| H22 | N02 | H23 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C13 | C12 | C14 | 179.8° | 179.7° |
| BR1 | C13 | C14 | O02 | 0.3° | 0.3° |
| BR1 | C13 | C12 | C11 | 180.0° | 179.7° |
| BR1 | C13 | C14 | C15 | 179.9° | 179.7° |
| BR1 | C13 | C12 | H11 | 0.1° | 0.3° |
| C12 | C13 | C14 | O02 | 179.9° | 180.0° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C12 | C11 | C10 | 179.4° | 180.0° |
| C13 | C12 | C11 | C16 | 0.0° | 0.0° |
| C13 | C14 | O02 | C17 | 83.3° | 90.0° |
| C13 | C14 | O02 | C15 | 179.5° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C13 | C14 | C15 | O01 | 179.3° | 180.0° |
| C14 | C13 | C12 | H11 | 179.8° | 180.0° |
| C17 | O02 | C14 | C15 | 96.2° | 90.0° |
| O02 | C17 | H13 | H15 | 120.0° | 120.0° |
| O02 | C17 | H13 | H14 | 120.0° | 120.0° |
| O02 | C17 | H15 | H14 | 120.0° | 120.0° |
| O02 | C14 | C15 | C16 | 179.8° | 180.0° |
| O02 | C14 | C15 | O01 | 0.2° | 0.0° |
| C14 | O02 | C17 | H13 | 180.0° | 60.0° |
| C14 | O02 | C17 | H15 | 60.0° | 60.0° |
| C14 | O02 | C17 | H14 | 60.0° | 180.0° |
| C12 | C11 | C10 | C16 | 179.5° | 180.0° |
| C12 | C11 | C16 | C15 | 0.0° | 0.0° |
| C12 | C11 | C10 | N01 | 162.5° | 90.0° |
| C12 | C11 | C10 | H09 | 41.9° | 30.0° |
| C12 | C11 | C10 | H10 | 77.0° | 150.0° |
| C12 | C11 | C16 | H12 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.1° | 0.0° |
| C14 | C15 | C16 | O01 | 179.6° | 180.0° |
| C14 | C15 | O01 | C18 | 69.8° | 180.0° |
| C14 | C15 | C16 | H12 | 179.9° | 180.0° |
| C10 | C11 | C16 | C15 | 179.4° | 180.0° |
| C11 | C10 | N01 | H09 | 120.5° | 120.0° |
| C11 | C10 | N01 | H10 | 120.5° | 120.0° |
| C11 | C10 | N01 | C08 | 166.8° | 170.0° |
| C11 | C10 | N01 | C09 | 72.3° | 67.0° |
| C11 | C10 | H09 | H10 | 118.4° | 120.0° |
| C10 | C11 | C12 | H11 | 0.5° | 0.0° |
| C10 | C11 | C16 | H12 | 0.5° | 0.1° |
| C11 | C16 | C15 | H12 | 180.0° | 179.9° |
| C11 | C16 | C15 | O01 | 179.4° | 180.0° |
| C16 | C11 | C10 | N01 | 17.0° | 90.0° |
| C16 | C11 | C10 | H09 | 137.5° | 150.0° |
| C16 | C11 | C10 | H10 | 103.5° | 30.0° |
| C16 | C11 | C12 | H11 | 180.0° | 180.0° |
| C16 | C15 | O01 | C18 | 110.6° | 0.1° |
| O01 | C15 | C16 | H12 | 0.5° | 0.1° |
| C15 | O01 | C18 | H17 | 180.0° | 60.1° |
| C15 | O01 | C18 | H16 | 60.0° | 59.9° |
| C15 | O01 | C18 | H18 | 60.0° | 180.0° |
| C10 | N01 | C08 | C09 | 123.6° | 123.5° |
| C10 | N01 | C08 | C07 | 163.8° | 165.4° |
| C10 | N01 | C09 | C05 | 176.1° | 176.1° |
| N01 | C10 | H09 | H10 | 118.4° | 120.0° |
| C10 | N01 | C08 | H06 | 76.4° | 45.6° |
| C10 | N01 | C08 | H05 | 44.0° | 74.9° |
| C10 | N01 | C09 | H08 | 63.7° | 55.8° |
| C10 | N01 | C09 | H07 | 55.9° | 63.7° |
| O01 | C18 | H17 | H16 | 120.0° | 120.1° |
| O01 | C18 | H17 | H18 | 120.0° | 120.0° |
| O01 | C18 | H16 | H18 | 120.0° | 120.1° |
| N01 | C08 | C07 | H06 | 119.8° | 119.8° |
| N01 | C08 | C07 | H05 | 119.8° | 119.9° |
| C08 | N01 | C09 | C05 | 54.4° | 52.6° |
| N01 | C08 | C07 | C04 | 51.2° | 50.4° |
| C08 | N01 | C10 | H09 | 72.6° | 70.0° |
| C08 | N01 | C10 | H10 | 46.3° | 50.0° |
| N01 | C08 | C07 | H04 | 171.4° | 69.8° |
| N01 | C08 | C07 | H03 | 69.0° | 170.5° |
| N01 | C08 | H06 | H05 | 120.6° | 120.6° |
| C08 | N01 | C09 | H08 | 174.6° | 67.7° |
| C08 | N01 | C09 | H07 | 65.8° | 172.9° |
| C09 | N01 | C08 | C07 | 72.6° | 71.2° |
| N01 | C09 | C05 | H08 | 120.2° | 120.2° |
| N01 | C09 | C05 | H07 | 120.2° | 120.3° |
| N01 | C09 | C05 | C04 | 18.5° | 17.8° |
| N01 | C09 | C05 | C06 | 160.9° | 162.6° |
| C09 | N01 | C10 | H09 | 48.2° | 53.0° |
| C09 | N01 | C10 | H10 | 167.2° | 173.0° |
| C09 | N01 | C08 | H06 | 47.2° | 169.1° |
| C09 | N01 | C08 | H05 | 167.6° | 48.6° |
| N01 | C09 | H08 | H07 | 119.4° | 119.5° |
| C08 | C07 | C04 | H04 | 120.2° | 120.1° |
| C08 | C07 | C04 | H03 | 120.2° | 120.1° |
| C08 | C07 | C04 | C05 | 15.7° | 17.1° |
| C08 | C07 | C04 | C03 | 163.8° | 163.2° |
| C08 | C07 | H04 | H03 | 119.3° | 119.7° |
| C07 | C08 | H06 | H05 | 120.6° | 120.3° |
| C09 | C05 | C04 | C07 | 0.6° | 0.8° |
| C09 | C05 | C04 | C06 | 179.5° | 179.5° |
| C09 | C05 | C04 | C03 | 180.0° | 179.5° |
| C09 | C05 | C06 | C01 | 179.9° | 179.9° |
| C09 | C05 | C06 | H02 | 0.1° | 0.6° |
| C05 | C09 | H08 | H07 | 119.4° | 119.5° |
| C07 | C04 | C05 | C03 | 179.4° | 179.7° |
| C07 | C04 | C05 | C06 | 179.9° | 179.6° |
| C07 | C04 | C03 | C02 | 179.7° | 179.5° |
| C07 | C04 | C03 | H01 | 0.3° | 0.5° |
| C04 | C07 | H04 | H03 | 119.3° | 119.8° |
| C04 | C07 | C08 | H06 | 68.6° | 170.1° |
| C04 | C07 | C08 | H05 | 171.0° | 69.5° |
| C04 | C05 | C06 | C01 | 0.4° | 0.3° |
| C05 | C04 | C03 | C02 | 0.3° | 0.2° |
| C05 | C04 | C03 | H01 | 179.7° | 179.8° |
| C04 | C05 | C06 | H02 | 179.6° | 179.8° |
| C05 | C04 | C07 | H04 | 135.9° | 103.0° |
| C05 | C04 | C07 | H03 | 104.6° | 137.2° |
| C04 | C05 | C09 | H08 | 138.7° | 102.4° |
| C04 | C05 | C09 | H07 | 101.7° | 138.1° |
| C06 | C05 | C04 | C03 | 0.5° | 0.1° |
| C05 | C06 | C01 | H02 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.2° | 0.5° |
| C05 | C06 | C01 | O03 | 179.9° | 179.8° |
| C06 | C05 | C09 | H08 | 40.8° | 77.1° |
| C06 | C05 | C09 | H07 | 78.8° | 42.4° |
| C04 | C03 | C02 | H01 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.0° | 0.0° |
| C04 | C03 | C02 | O04 | 179.9° | 180.0° |
| C03 | C04 | C07 | H04 | 43.5° | 76.7° |
| C03 | C04 | C07 | H03 | 76.0° | 43.1° |
| C06 | C01 | C02 | C03 | 0.0° | 0.4° |
| C06 | C01 | C02 | O03 | 179.9° | 179.7° |
| C06 | C01 | O03 | C19 | 31.0° | 0.3° |
| C06 | C01 | C02 | O04 | 179.9° | 179.6° |
| C03 | C02 | C01 | O04 | 179.9° | 180.0° |
| C03 | C02 | C01 | O03 | 179.9° | 179.9° |
| C03 | C02 | O04 | S01 | 73.2° | 90.0° |
| C02 | C01 | O03 | C19 | 149.1° | 180.0° |
| C01 | C02 | O04 | S01 | 106.9° | 90.0° |
| C01 | C02 | C03 | H01 | 180.0° | 180.0° |
| C02 | C01 | C06 | H02 | 179.8° | 180.0° |
| O03 | C01 | C02 | O04 | 0.2° | 0.0° |
| O03 | C01 | C06 | H02 | 0.1° | 0.3° |
| C01 | O03 | C19 | H21 | 180.0° | 60.0° |
| C01 | O03 | C19 | H20 | 60.0° | 60.1° |
| C01 | O03 | C19 | H19 | 60.0° | 180.0° |
| O03 | C19 | H21 | H20 | 120.0° | 120.1° |
| O03 | C19 | H21 | H19 | 120.0° | 119.9° |
| O03 | C19 | H20 | H19 | 120.0° | 119.9° |
| C02 | O04 | S01 | O06 | 42.5° | 171.5° |
| C02 | O04 | S01 | N02 | 75.5° | 75.0° |
| C02 | O04 | S01 | O05 | 167.8° | 38.5° |
| O04 | C02 | C03 | H01 | 0.1° | 0.0° |
| O04 | S01 | O06 | N02 | 116.1° | 114.1° |
| O04 | S01 | O06 | O05 | 120.5° | 122.9° |
| O04 | S01 | N02 | O05 | 115.3° | 113.5° |
| O04 | S01 | N02 | H22 | 180.0° | 0.1° |
| O04 | S01 | N02 | H23 | 60.0° | 179.9° |
| O06 | S01 | N02 | O05 | 126.8° | 132.9° |
| O06 | S01 | N02 | H22 | 62.1° | 113.5° |
| O06 | S01 | N02 | H23 | 57.8° | 66.4° |
| S01 | N02 | H22 | H23 | 120.0° | 179.9° |
| O05 | S01 | N02 | H22 | 64.7° | 113.6° |
| O05 | S01 | N02 | H23 | 175.4° | 66.6° |
| H13 | C17 | H15 | H14 | 120.0° | 120.0° |
| H04 | C07 | C08 | H06 | 51.6° | 50.0° |
| H04 | C07 | C08 | H05 | 68.8° | 170.4° |
| H03 | C07 | C08 | H06 | 171.2° | 69.8° |
| H03 | C07 | C08 | H05 | 50.8° | 50.6° |
| H17 | C18 | H16 | H18 | 120.0° | 119.9° |
| H21 | C19 | H20 | H19 | 120.0° | 120.0° |
