GNZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C14 | sing | 1.40Å | 1.33Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| F3 | C14 | sing | 1.40Å | 1.31Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C14 | F2 | sing | 1.40Å | 1.32Å | |
| C16 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.54Å | 1.53Å | |
| C5 | N1 | sing | 1.49Å | 1.46Å | |
| C5 | C3 | sing | 1.55Å | 1.54Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | sing | 1.51Å | 1.49Å | |
| C10 | C11 | doub | 1.38Å | 1.36Å | Aromatic |
| C8 | N1 | sing | 1.47Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | C1 | sing | 1.49Å | 1.48Å | |
| C3 | C2 | sing | 1.54Å | 1.52Å | |
| C7 | O1 | doub | 1.21Å | 1.26Å | |
| C7 | C4 | sing | 1.52Å | 1.51Å | |
| C1 | C2 | sing | 1.54Å | 1.52Å | |
| C1 | C4 | sing | 1.54Å | 1.52Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C14 | F3 | 109.7° | 109.5° |
| F1 | C14 | C13 | 114.5° | 109.5° |
| F1 | C14 | F2 | 108.4° | 109.5° |
| C16 | C15 | C13 | 119.4° | 120.0° |
| C15 | C16 | C10 | 121.0° | 120.0° |
| C16 | C15 | H18 | 120.3° | 120.0° |
| C15 | C16 | H19 | 119.5° | 120.0° |
| C15 | C13 | C14 | 121.3° | 120.0° |
| C15 | C13 | C12 | 119.1° | 120.0° |
| C13 | C15 | H18 | 120.3° | 120.0° |
| F3 | C14 | C13 | 104.8° | 109.5° |
| F3 | C14 | F2 | 112.3° | 109.5° |
| C13 | C14 | F2 | 107.3° | 109.5° |
| C14 | C13 | C12 | 119.6° | 120.0° |
| C16 | C10 | C9 | 121.9° | 120.0° |
| C16 | C10 | C11 | 119.6° | 120.0° |
| C10 | C16 | H19 | 119.5° | 120.0° |
| C13 | C12 | C11 | 121.0° | 120.0° |
| C13 | C12 | H11 | 119.5° | 120.0° |
| C6 | C5 | N1 | 111.7° | 107.4° |
| C6 | C5 | C3 | 108.1° | 108.0° |
| C5 | C6 | C7 | 106.4° | 107.8° |
| C6 | C5 | H3 | 110.4° | 112.0° |
| C5 | C6 | H4 | 110.2° | 109.8° |
| C5 | C6 | H5 | 110.2° | 109.7° |
| N1 | C5 | C3 | 104.8° | 104.4° |
| C5 | N1 | C8 | 116.9° | 111.0° |
| C5 | N1 | C1 | 101.3° | 104.2° |
| N1 | C5 | H3 | 111.4° | 112.1° |
| C5 | C3 | C2 | 105.1° | 105.1° |
| C3 | C5 | H3 | 110.3° | 112.5° |
| C5 | C3 | H13 | 110.5° | 110.3° |
| C5 | C3 | H14 | 110.6° | 110.3° |
| C6 | C7 | O1 | 121.1° | 121.0° |
| C6 | C7 | C4 | 120.0° | 118.0° |
| C7 | C6 | H4 | 110.2° | 109.8° |
| C7 | C6 | H5 | 110.3° | 109.9° |
| C9 | C10 | C11 | 118.5° | 120.0° |
| C10 | C9 | C8 | 111.9° | 109.5° |
| C10 | C9 | H9 | 108.8° | 109.5° |
| C10 | C9 | H10 | 108.9° | 109.5° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C10 | C11 | H6 | 120.0° | 120.1° |
| N1 | C8 | C9 | 109.3° | 109.5° |
| C8 | N1 | C1 | 117.8° | 111.0° |
| N1 | C8 | H7 | 109.5° | 109.5° |
| N1 | C8 | H8 | 109.5° | 109.5° |
| C9 | C8 | H7 | 109.5° | 109.5° |
| C9 | C8 | H8 | 109.6° | 109.5° |
| C8 | C9 | H9 | 108.9° | 109.5° |
| C8 | C9 | H10 | 108.8° | 109.5° |
| C12 | C11 | H6 | 120.0° | 119.9° |
| C11 | C12 | H11 | 119.5° | 120.0° |
| N1 | C1 | C2 | 104.9° | 104.6° |
| N1 | C1 | C4 | 112.2° | 107.4° |
| N1 | C1 | H15 | 111.5° | 112.1° |
| C3 | C2 | C1 | 103.2° | 105.1° |
| C2 | C3 | H13 | 110.6° | 110.2° |
| C2 | C3 | H14 | 110.5° | 110.4° |
| C3 | C2 | H16 | 111.0° | 110.3° |
| C3 | C2 | H17 | 111.0° | 110.3° |
| O1 | C7 | C4 | 118.8° | 121.0° |
| C7 | C4 | C1 | 109.4° | 107.8° |
| C7 | C4 | H1 | 109.5° | 109.8° |
| C7 | C4 | H2 | 109.5° | 109.8° |
| C2 | C1 | C4 | 106.3° | 107.9° |
| C2 | C1 | H15 | 110.8° | 112.6° |
| C1 | C2 | H16 | 111.0° | 110.4° |
| C1 | C2 | H17 | 111.0° | 110.3° |
| C1 | C4 | H1 | 109.5° | 109.8° |
| C1 | C4 | H2 | 109.5° | 109.8° |
| C4 | C1 | H15 | 110.9° | 111.9° |
| H1 | C4 | H2 | 109.4° | 109.8° |
| H4 | C6 | H5 | 109.5° | 109.9° |
| H7 | C8 | H8 | 109.4° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.4° |
| H13 | C3 | H14 | 109.5° | 110.4° |
| H16 | C2 | H17 | 109.4° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C14 | C13 | C15 | 41.3° | 150.0° |
| F1 | C14 | F3 | C13 | 123.3° | 120.0° |
| F1 | C14 | F3 | F2 | 120.6° | 120.0° |
| F1 | C14 | C13 | F2 | 120.3° | 120.0° |
| F1 | C14 | C13 | C12 | 137.6° | 30.0° |
| C16 | C15 | C13 | H18 | 180.0° | 179.7° |
| C16 | C15 | C13 | C14 | 179.7° | 179.7° |
| C15 | C16 | C10 | H19 | 180.0° | 179.7° |
| C16 | C15 | C13 | C12 | 0.9° | 0.3° |
| C15 | C16 | C10 | C9 | 179.2° | 180.0° |
| C15 | C16 | C10 | C11 | 0.9° | 0.0° |
| C15 | C13 | C14 | F3 | 78.9° | 29.9° |
| C15 | C13 | C14 | C12 | 178.8° | 179.9° |
| C15 | C13 | C14 | F2 | 161.6° | 90.0° |
| C13 | C15 | C16 | C10 | 0.2° | 0.3° |
| C15 | C13 | C12 | C11 | 0.5° | 0.0° |
| C15 | C13 | C12 | H11 | 179.5° | 179.9° |
| C13 | C15 | C16 | H19 | 179.8° | 180.0° |
| F3 | C14 | C13 | F2 | 119.5° | 120.0° |
| F3 | C14 | C13 | C12 | 102.3° | 150.0° |
| C14 | C13 | C12 | C11 | 179.4° | 180.0° |
| C14 | C13 | C12 | H11 | 0.7° | 0.0° |
| C14 | C13 | C15 | H18 | 0.3° | 0.1° |
| F2 | C14 | C13 | C12 | 17.2° | 90.0° |
| C16 | C10 | C9 | C11 | 178.3° | 180.0° |
| C16 | C10 | C9 | C8 | 57.5° | 90.0° |
| C16 | C10 | C11 | C12 | 1.3° | 0.3° |
| C16 | C10 | C11 | H6 | 178.7° | 180.0° |
| C16 | C10 | C9 | H9 | 62.9° | 150.0° |
| C16 | C10 | C9 | H10 | 177.8° | 30.1° |
| C10 | C16 | C15 | H18 | 179.8° | 180.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.3° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C13 | C12 | C11 | H6 | 179.4° | 180.0° |
| C12 | C13 | C15 | H18 | 179.1° | 180.0° |
| C6 | C5 | N1 | C3 | 116.8° | 114.5° |
| C6 | C5 | N1 | H3 | 123.9° | 123.4° |
| C6 | C5 | C3 | H3 | 120.8° | 124.1° |
| C5 | C6 | C7 | H4 | 119.5° | 119.5° |
| C5 | C6 | C7 | H5 | 119.5° | 119.6° |
| C6 | C5 | N1 | C8 | 54.4° | 44.8° |
| C6 | C5 | N1 | C1 | 74.9° | 74.8° |
| C6 | C5 | C3 | C2 | 95.7° | 90.0° |
| C5 | C6 | C7 | O1 | 138.7° | 134.4° |
| C5 | C6 | C7 | C4 | 38.5° | 45.5° |
| C5 | C6 | H4 | H5 | 121.4° | 120.8° |
| C6 | C5 | C3 | H13 | 23.6° | 28.8° |
| C6 | C5 | C3 | H14 | 144.9° | 151.0° |
| N1 | C5 | C3 | H3 | 119.9° | 121.8° |
| N1 | C5 | C6 | C7 | 59.0° | 58.1° |
| C5 | N1 | C8 | C1 | 121.0° | 115.4° |
| C5 | N1 | C8 | C9 | 168.1° | 67.2° |
| N1 | C5 | C3 | C2 | 23.5° | 24.1° |
| C5 | N1 | C1 | C2 | 45.1° | 39.7° |
| C5 | N1 | C1 | C4 | 69.9° | 74.7° |
| N1 | C5 | C6 | H4 | 60.5° | 61.4° |
| N1 | C5 | C6 | H5 | 178.6° | 177.7° |
| C5 | N1 | C8 | H7 | 48.1° | 172.8° |
| C5 | N1 | C8 | H8 | 71.9° | 52.8° |
| N1 | C5 | C3 | H13 | 142.8° | 142.9° |
| N1 | C5 | C3 | H14 | 95.8° | 94.9° |
| C5 | N1 | C1 | H15 | 165.1° | 161.9° |
| C3 | C5 | C6 | C7 | 55.8° | 54.0° |
| C3 | C5 | N1 | C8 | 171.2° | 159.3° |
| C3 | C5 | N1 | C1 | 41.9° | 39.8° |
| C5 | C3 | C2 | H13 | 119.3° | 118.9° |
| C5 | C3 | C2 | H14 | 119.3° | 118.9° |
| C5 | C3 | C2 | C1 | 4.0° | 0.1° |
| C3 | C5 | C6 | H4 | 175.3° | 173.5° |
| C3 | C5 | C6 | H5 | 63.8° | 65.6° |
| C5 | C3 | H13 | H14 | 122.0° | 122.2° |
| C5 | C3 | C2 | H16 | 123.0° | 118.8° |
| C5 | C3 | C2 | H17 | 115.1° | 119.0° |
| C6 | C7 | O1 | C4 | 177.2° | 179.9° |
| C6 | C7 | C4 | C1 | 35.7° | 45.6° |
| C6 | C7 | C4 | H1 | 84.3° | 74.1° |
| C6 | C7 | C4 | H2 | 155.7° | 165.1° |
| C7 | C6 | C5 | H3 | 176.5° | 178.4° |
| C7 | C6 | H4 | H5 | 121.5° | 120.9° |
| C10 | C9 | C8 | N1 | 174.7° | 180.0° |
| C10 | C9 | C8 | H9 | 120.3° | 120.0° |
| C10 | C9 | C8 | H10 | 120.4° | 120.1° |
| C9 | C10 | C11 | C12 | 179.6° | 179.7° |
| C9 | C10 | C11 | H6 | 0.4° | 0.1° |
| C10 | C9 | C8 | H7 | 54.7° | 60.0° |
| C10 | C9 | C8 | H8 | 65.3° | 60.0° |
| C10 | C9 | H9 | H10 | 118.9° | 120.0° |
| C9 | C10 | C16 | H19 | 0.8° | 0.3° |
| C11 | C10 | C9 | C8 | 124.3° | 90.0° |
| C10 | C11 | C12 | H6 | 180.0° | 179.7° |
| C11 | C10 | C9 | H9 | 115.4° | 30.0° |
| C11 | C10 | C9 | H10 | 3.9° | 149.9° |
| C10 | C11 | C12 | H11 | 179.4° | 179.7° |
| C11 | C10 | C16 | H19 | 179.1° | 179.7° |
| N1 | C8 | C9 | H7 | 120.0° | 120.0° |
| N1 | C8 | C9 | H8 | 120.0° | 120.0° |
| C8 | N1 | C1 | C2 | 173.8° | 159.3° |
| C8 | N1 | C1 | C4 | 58.8° | 44.8° |
| C8 | N1 | C5 | H3 | 69.5° | 78.6° |
| N1 | C8 | H7 | H8 | 120.0° | 120.0° |
| N1 | C8 | C9 | H9 | 54.4° | 60.0° |
| N1 | C8 | C9 | H10 | 64.9° | 59.9° |
| C8 | N1 | C1 | H15 | 66.2° | 78.5° |
| C9 | C8 | N1 | C1 | 70.8° | 177.5° |
| C9 | C8 | H7 | H8 | 120.1° | 120.0° |
| C8 | C9 | H9 | H10 | 118.9° | 120.0° |
| N1 | C1 | C2 | C3 | 29.9° | 23.9° |
| N1 | C1 | C4 | C7 | 51.2° | 58.2° |
| N1 | C1 | C2 | C4 | 119.0° | 114.1° |
| N1 | C1 | C2 | H15 | 120.4° | 121.9° |
| N1 | C1 | C4 | H15 | 125.3° | 123.4° |
| N1 | C1 | C4 | H1 | 68.8° | 61.4° |
| N1 | C1 | C4 | H2 | 171.2° | 177.8° |
| C1 | N1 | C5 | H3 | 161.1° | 161.8° |
| C1 | N1 | C8 | H7 | 169.2° | 57.5° |
| C1 | N1 | C8 | H8 | 49.2° | 62.5° |
| N1 | C1 | C2 | H16 | 148.9° | 142.8° |
| N1 | C1 | C2 | H17 | 89.1° | 95.0° |
| C3 | C2 | C1 | H16 | 119.0° | 118.9° |
| C3 | C2 | C1 | H17 | 119.0° | 118.9° |
| C3 | C2 | C1 | C4 | 89.1° | 90.1° |
| C2 | C3 | C5 | H3 | 143.5° | 145.9° |
| C2 | C3 | H13 | H14 | 122.0° | 122.2° |
| C3 | C2 | C1 | H15 | 150.3° | 145.8° |
| C3 | C2 | H16 | H17 | 122.9° | 122.1° |
| O1 | C7 | C4 | C1 | 141.5° | 134.4° |
| O1 | C7 | C4 | H1 | 98.4° | 106.0° |
| O1 | C7 | C4 | H2 | 21.5° | 14.8° |
| O1 | C7 | C6 | H4 | 101.8° | 106.1° |
| O1 | C7 | C6 | H5 | 19.2° | 14.9° |
| C7 | C4 | C1 | C2 | 62.9° | 54.0° |
| C7 | C4 | C1 | H1 | 120.0° | 119.6° |
| C7 | C4 | C1 | H2 | 120.0° | 119.6° |
| C7 | C4 | H1 | H2 | 120.0° | 120.8° |
| C4 | C7 | C6 | H4 | 81.0° | 74.0° |
| C4 | C7 | C6 | H5 | 158.0° | 165.1° |
| C7 | C4 | C1 | H15 | 176.6° | 178.4° |
| C2 | C1 | C4 | H15 | 120.5° | 124.4° |
| C2 | C1 | C4 | H1 | 177.1° | 173.6° |
| C2 | C1 | C4 | H2 | 57.1° | 65.6° |
| C1 | C2 | C3 | H13 | 115.3° | 119.0° |
| C1 | C2 | C3 | H14 | 123.3° | 118.8° |
| C1 | C2 | H16 | H17 | 122.9° | 122.2° |
| C1 | C4 | H1 | H2 | 120.0° | 120.8° |
| C4 | C1 | C2 | H16 | 29.9° | 28.8° |
| C4 | C1 | C2 | H17 | 151.9° | 151.0° |
| H1 | C4 | C1 | H15 | 56.5° | 62.0° |
| H2 | C4 | C1 | H15 | 63.4° | 58.8° |
| H3 | C5 | C6 | H4 | 64.0° | 62.1° |
| H3 | C5 | C6 | H5 | 57.0° | 58.8° |
| H3 | C5 | C3 | H13 | 97.2° | 95.3° |
| H3 | C5 | C3 | H14 | 24.1° | 26.9° |
| H6 | C11 | C12 | H11 | 0.6° | 0.0° |
| H7 | C8 | C9 | H9 | 65.6° | 60.0° |
| H7 | C8 | C9 | H10 | 175.1° | 180.0° |
| H8 | C8 | C9 | H9 | 174.3° | 180.0° |
| H8 | C8 | C9 | H10 | 55.0° | 60.1° |
| H13 | C3 | C2 | H16 | 3.7° | 0.1° |
| H13 | C3 | C2 | H17 | 125.6° | 122.1° |
| H14 | C3 | C2 | H16 | 117.7° | 122.2° |
| H14 | C3 | C2 | H17 | 4.3° | 0.1° |
| H15 | C1 | C2 | H16 | 90.6° | 95.3° |
| H15 | C1 | C2 | H17 | 31.3° | 26.9° |
| H18 | C15 | C16 | H19 | 0.2° | 0.3° |
