FD7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| N11 | C10 | sing | 1.40Å | 1.45Å | |
| N11 | C12 | sing | 1.35Å | 1.43Å | |
| C03 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C10 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| N13 | C12 | sing | 1.35Å | 1.41Å | |
| N13 | C14 | sing | 1.38Å | 1.45Å | |
| N15 | C16 | sing | 1.47Å | 1.52Å | |
| N15 | C14 | sing | 1.37Å | 1.43Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | O19 | doub | 1.21Å | 1.16Å | |
| C05 | C06 | sing | 1.38Å | 1.43Å | Aromatic |
| C08 | C09 | sing | 1.53Å | 1.50Å | |
| C14 | N18 | doub | 1.30Å | 1.30Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| N11 | H19 | sing | 0.97Å | 1.00Å | |
| N13 | H20 | sing | 0.97Å | 1.00Å | |
| N15 | H21 | sing | 0.97Å | 1.00Å | |
| N18 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 111.9° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C02 | C01 | H8 | 109.5° | 109.4° |
| C01 | C02 | H9 | 108.9° | 109.5° |
| C01 | C02 | H10 | 108.9° | 109.5° |
| C02 | C03 | C10 | 118.3° | 120.0° |
| C02 | C03 | C04 | 123.5° | 120.1° |
| C03 | C02 | H9 | 108.8° | 109.5° |
| C03 | C02 | H10 | 108.9° | 109.4° |
| C10 | N11 | C12 | 119.0° | 120.0° |
| N11 | C10 | C03 | 122.3° | 120.1° |
| N11 | C10 | C07 | 114.1° | 120.1° |
| C10 | N11 | H19 | 120.5° | 120.0° |
| N11 | C12 | N13 | 110.3° | 120.0° |
| N11 | C12 | O19 | 125.7° | 120.0° |
| C12 | N11 | H19 | 120.5° | 120.0° |
| C10 | C03 | C04 | 118.2° | 119.9° |
| C03 | C10 | C07 | 123.7° | 119.9° |
| C03 | C04 | C05 | 118.6° | 120.1° |
| C03 | C04 | H11 | 120.7° | 119.9° |
| C17 | C16 | N15 | 113.0° | 109.5° |
| C17 | C16 | H1 | 108.6° | 109.5° |
| C17 | C16 | H2 | 108.6° | 109.4° |
| C16 | C17 | H3 | 109.5° | 109.4° |
| C16 | C17 | H4 | 109.5° | 109.5° |
| C16 | C17 | H5 | 109.5° | 109.5° |
| C10 | C07 | C08 | 119.1° | 120.1° |
| C10 | C07 | C06 | 118.6° | 119.9° |
| C04 | C05 | C06 | 123.2° | 120.1° |
| C05 | C04 | H11 | 120.7° | 120.0° |
| C04 | C05 | H12 | 118.4° | 120.0° |
| C12 | N13 | C14 | 120.2° | 120.0° |
| N13 | C12 | O19 | 124.0° | 120.0° |
| C12 | N13 | H20 | 119.9° | 120.0° |
| N13 | C14 | N15 | 108.3° | 120.0° |
| N13 | C14 | N18 | 124.9° | 120.0° |
| C14 | N13 | H20 | 119.9° | 120.0° |
| C16 | N15 | C14 | 119.1° | 120.0° |
| N15 | C16 | H1 | 108.6° | 109.5° |
| N15 | C16 | H2 | 108.6° | 109.4° |
| C16 | N15 | H21 | 120.5° | 120.0° |
| N15 | C14 | N18 | 126.8° | 120.0° |
| C14 | N15 | H21 | 120.4° | 120.0° |
| C08 | C07 | C06 | 122.2° | 120.0° |
| C07 | C08 | C09 | 114.4° | 109.5° |
| C07 | C08 | H14 | 108.3° | 109.5° |
| C07 | C08 | H15 | 108.2° | 109.4° |
| C07 | C06 | C05 | 117.7° | 120.1° |
| C07 | C06 | H13 | 121.1° | 120.0° |
| C06 | C05 | H12 | 118.4° | 119.9° |
| C05 | C06 | H13 | 121.2° | 120.0° |
| C09 | C08 | H14 | 108.2° | 109.5° |
| C09 | C08 | H15 | 108.2° | 109.5° |
| C08 | C09 | H16 | 109.5° | 109.5° |
| C08 | C09 | H17 | 109.5° | 109.4° |
| C08 | C09 | H18 | 109.5° | 109.5° |
| C14 | N18 | H22 | 112.0° | 120.0° |
| H1 | C16 | H2 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H5 | 109.4° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H9 | C02 | H10 | 109.5° | 109.5° |
| H14 | C08 | H15 | 109.5° | 109.5° |
| H16 | C09 | H17 | 109.4° | 109.5° |
| H16 | C09 | H18 | 109.5° | 109.5° |
| H17 | C09 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H9 | 120.4° | 120.0° |
| C01 | C02 | C03 | H10 | 120.4° | 120.0° |
| C01 | C02 | C03 | C10 | 93.4° | 82.3° |
| C01 | C02 | C03 | C04 | 88.0° | 97.7° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 119.9° |
| C01 | C02 | H9 | H10 | 118.9° | 120.0° |
| C02 | C03 | C10 | N11 | 1.9° | 0.2° |
| C02 | C03 | C10 | C04 | 178.7° | 180.0° |
| C02 | C03 | C10 | C07 | 178.1° | 180.0° |
| C02 | C03 | C04 | C05 | 178.2° | 179.9° |
| C03 | C02 | C01 | H6 | 180.0° | 175.1° |
| C03 | C02 | C01 | H7 | 60.0° | 55.0° |
| C03 | C02 | C01 | H8 | 60.0° | 64.9° |
| C03 | C02 | H9 | H10 | 118.9° | 120.0° |
| C02 | C03 | C04 | H11 | 1.8° | 0.0° |
| C10 | N11 | C12 | H19 | 180.0° | 180.0° |
| N11 | C10 | C03 | C07 | 180.0° | 179.7° |
| N11 | C10 | C03 | C04 | 179.4° | 179.8° |
| C10 | N11 | C12 | N13 | 176.5° | 174.8° |
| N11 | C10 | C07 | C08 | 1.7° | 0.3° |
| N11 | C10 | C07 | C06 | 178.7° | 179.7° |
| C10 | N11 | C12 | O19 | 4.8° | 5.2° |
| C12 | N11 | C10 | C03 | 94.2° | 116.2° |
| C12 | N11 | C10 | C07 | 85.8° | 64.1° |
| N11 | C12 | N13 | O19 | 178.7° | 180.0° |
| N11 | C12 | N13 | C14 | 178.4° | 180.0° |
| N11 | C12 | N13 | H20 | 1.6° | 0.1° |
| C10 | C03 | C04 | C05 | 0.4° | 0.1° |
| C03 | C10 | C07 | C08 | 178.4° | 180.0° |
| C03 | C10 | C07 | C06 | 1.4° | 0.0° |
| C10 | C03 | C02 | H9 | 146.3° | 37.7° |
| C10 | C03 | C02 | H10 | 27.0° | 157.7° |
| C10 | C03 | C04 | H11 | 179.6° | 180.0° |
| C03 | C10 | N11 | H19 | 85.8° | 63.9° |
| C04 | C03 | C10 | C07 | 0.6° | 0.0° |
| C03 | C04 | C05 | H11 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.0° | 0.1° |
| C04 | C03 | C02 | H9 | 32.4° | 142.3° |
| C04 | C03 | C02 | H10 | 151.6° | 22.3° |
| C03 | C04 | C05 | H12 | 179.0° | 180.0° |
| C17 | C16 | N15 | H1 | 120.5° | 120.0° |
| C17 | C16 | N15 | H2 | 120.5° | 119.9° |
| C17 | C16 | N15 | C14 | 171.3° | 180.0° |
| C17 | C16 | H1 | H2 | 118.4° | 120.0° |
| C16 | C17 | H3 | H4 | 120.0° | 120.0° |
| C16 | C17 | H3 | H5 | 120.0° | 120.0° |
| C16 | C17 | H4 | H5 | 120.0° | 120.0° |
| C17 | C16 | N15 | H21 | 8.8° | 0.1° |
| C10 | C07 | C08 | C06 | 176.9° | 180.0° |
| C10 | C07 | C06 | C05 | 1.8° | 0.0° |
| C10 | C07 | C08 | C09 | 132.5° | 110.2° |
| C10 | C07 | C06 | H13 | 178.2° | 179.9° |
| C10 | C07 | C08 | H14 | 11.7° | 129.8° |
| C10 | C07 | C08 | H15 | 106.8° | 9.8° |
| C07 | C10 | N11 | H19 | 94.2° | 115.9° |
| C04 | C05 | C06 | C07 | 1.7° | 0.0° |
| C04 | C05 | C06 | H12 | 180.0° | 179.9° |
| C04 | C05 | C06 | H13 | 178.3° | 179.9° |
| C12 | N13 | C14 | H20 | 180.0° | 179.9° |
| C12 | N13 | C14 | N15 | 179.9° | 180.0° |
| C12 | N13 | C14 | N18 | 0.5° | 0.1° |
| N13 | C12 | N11 | H19 | 3.5° | 5.2° |
| N13 | C14 | N15 | C16 | 178.7° | 179.9° |
| N13 | C14 | N15 | N18 | 179.4° | 179.9° |
| C14 | N13 | C12 | O19 | 0.3° | 0.1° |
| N13 | C14 | N15 | H21 | 1.3° | 0.0° |
| N13 | C14 | N18 | H22 | 179.2° | 179.9° |
| C16 | N15 | C14 | H21 | 180.0° | 180.0° |
| C16 | N15 | C14 | N18 | 0.7° | 0.0° |
| N15 | C16 | H1 | H2 | 118.4° | 120.0° |
| N15 | C16 | C17 | H3 | 180.0° | 60.1° |
| N15 | C16 | C17 | H4 | 60.0° | 59.9° |
| N15 | C16 | C17 | H5 | 60.0° | 180.0° |
| C14 | N15 | C16 | H1 | 50.7° | 60.0° |
| C14 | N15 | C16 | H2 | 68.2° | 60.0° |
| N15 | C14 | N13 | H20 | 0.1° | 0.1° |
| N15 | C14 | N18 | H22 | 0.0° | 0.0° |
| C08 | C07 | C06 | C05 | 178.7° | 180.0° |
| C07 | C08 | C09 | H14 | 120.7° | 120.0° |
| C07 | C08 | C09 | H15 | 120.7° | 120.0° |
| C08 | C07 | C06 | H13 | 1.3° | 0.0° |
| C07 | C08 | H14 | H15 | 117.8° | 120.0° |
| C07 | C08 | C09 | H16 | 180.0° | 53.9° |
| C07 | C08 | C09 | H17 | 60.0° | 66.1° |
| C07 | C08 | C09 | H18 | 60.0° | 173.9° |
| C07 | C06 | C05 | H13 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 50.7° | 69.8° |
| C07 | C06 | C05 | H12 | 178.3° | 180.0° |
| C06 | C07 | C08 | H14 | 171.4° | 50.2° |
| C06 | C07 | C08 | H15 | 70.1° | 170.2° |
| O19 | C12 | N11 | H19 | 175.1° | 174.7° |
| O19 | C12 | N13 | H20 | 179.7° | 179.9° |
| C06 | C05 | C04 | H11 | 179.0° | 180.0° |
| C09 | C08 | H14 | H15 | 117.7° | 120.0° |
| C08 | C09 | H16 | H17 | 120.0° | 120.0° |
| C08 | C09 | H16 | H18 | 120.0° | 120.0° |
| C08 | C09 | H17 | H18 | 120.0° | 120.0° |
| N18 | C14 | N13 | H20 | 179.5° | 180.0° |
| N18 | C14 | N15 | H21 | 179.3° | 180.0° |
| H1 | C16 | C17 | H3 | 59.5° | 60.0° |
| H1 | C16 | C17 | H4 | 60.6° | 180.0° |
| H1 | C16 | C17 | H5 | 179.4° | 60.0° |
| H1 | C16 | N15 | H21 | 129.3° | 120.0° |
| H2 | C16 | C17 | H3 | 59.5° | 180.0° |
| H2 | C16 | C17 | H4 | 179.5° | 60.0° |
| H2 | C16 | C17 | H5 | 60.5° | 60.0° |
| H2 | C16 | N15 | H21 | 111.8° | 120.0° |
| H3 | C17 | H4 | H5 | 119.9° | 120.0° |
| H6 | C01 | H7 | H8 | 120.0° | 120.1° |
| H6 | C01 | C02 | H9 | 59.7° | 55.1° |
| H6 | C01 | C02 | H10 | 59.6° | 64.9° |
| H7 | C01 | C02 | H9 | 60.3° | 65.0° |
| H7 | C01 | C02 | H10 | 179.6° | 175.0° |
| H8 | C01 | C02 | H9 | 179.7° | 175.1° |
| H8 | C01 | C02 | H10 | 60.4° | 55.1° |
| H11 | C04 | C05 | H12 | 1.0° | 0.1° |
| H12 | C05 | C06 | H13 | 1.7° | 0.0° |
| H14 | C08 | C09 | H16 | 59.3° | 174.0° |
| H14 | C08 | C09 | H17 | 179.2° | 54.0° |
| H14 | C08 | C09 | H18 | 60.7° | 66.0° |
| H15 | C08 | C09 | H16 | 59.3° | 66.0° |
| H15 | C08 | C09 | H17 | 60.7° | 174.0° |
| H15 | C08 | C09 | H18 | 179.3° | 54.0° |
| H16 | C09 | H17 | H18 | 120.0° | 120.0° |
