FJX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C18 | sing | 1.74Å | 1.74Å | |
| O17 | C13 | sing | 1.35Å | 1.40Å | |
| N14 | C13 | doub | 1.31Å | 1.34Å | Aromatic |
| N14 | C15 | sing | 1.36Å | 1.39Å | Aromatic |
| C13 | N12 | sing | 1.37Å | 1.33Å | Aromatic |
| C15 | C18 | doub | 1.40Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C18 | N19 | sing | 1.32Å | 1.33Å | Aromatic |
| BR | C04 | sing | 1.89Å | 1.89Å | |
| N12 | C16 | sing | 1.37Å | 1.37Å | Aromatic |
| N12 | C11 | sing | 1.47Å | 1.46Å | |
| C05 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | N21 | doub | 1.33Å | 1.35Å | Aromatic |
| N19 | C20 | doub | 1.33Å | 1.34Å | Aromatic |
| C06 | O07 | sing | 1.37Å | 1.42Å | |
| C06 | C01 | doub | 1.39Å | 1.36Å | Aromatic |
| O07 | C08 | sing | 1.44Å | 1.41Å | |
| C03 | C11 | sing | 1.51Å | 1.57Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.41Å | Aromatic |
| C01 | O09 | sing | 1.37Å | 1.40Å | |
| C08 | O09 | sing | 1.44Å | 1.42Å | |
| N21 | C20 | sing | 1.32Å | 1.33Å | Aromatic |
| C20 | N23 | sing | 1.39Å | 1.41Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| O17 | H171 | sing | 0.97Å | 0.95Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| N23 | H232 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C18 | C15 | 118.8° | 120.6° |
| CL | C18 | N19 | 122.9° | 120.7° |
| O17 | C13 | N14 | 122.9° | 125.0° |
| O17 | C13 | N12 | 124.6° | 125.0° |
| C13 | O17 | H171 | 109.5° | 113.9° |
| C13 | N14 | C15 | 105.6° | 109.4° |
| N14 | C13 | N12 | 112.5° | 109.9° |
| N14 | C15 | C18 | 135.3° | 134.5° |
| N14 | C15 | C16 | 107.9° | 107.1° |
| C13 | N12 | C16 | 107.5° | 107.4° |
| C13 | N12 | C11 | 127.7° | 126.3° |
| C18 | C15 | C16 | 116.8° | 118.3° |
| C15 | C18 | N19 | 118.3° | 118.7° |
| C15 | C16 | N12 | 106.6° | 106.1° |
| C15 | C16 | N21 | 122.0° | 119.1° |
| C18 | N19 | C20 | 122.1° | 121.3° |
| BR | C04 | C05 | 115.6° | 119.9° |
| BR | C04 | C03 | 123.5° | 120.0° |
| C16 | N12 | C11 | 124.7° | 126.3° |
| N12 | C16 | N21 | 131.5° | 134.8° |
| N12 | C11 | C03 | 104.5° | 109.4° |
| N12 | C11 | H112 | 110.7° | 109.5° |
| N12 | C11 | H111 | 110.7° | 109.4° |
| C04 | C05 | C06 | 119.4° | 120.0° |
| C05 | C04 | C03 | 121.0° | 120.1° |
| C04 | C05 | H051 | 120.3° | 120.0° |
| C05 | C06 | O07 | 130.9° | 131.5° |
| C05 | C06 | C01 | 119.9° | 119.8° |
| C06 | C05 | H051 | 120.3° | 120.0° |
| C04 | C03 | C11 | 123.0° | 120.0° |
| C04 | C03 | C02 | 118.4° | 120.1° |
| C16 | N21 | C20 | 117.6° | 120.4° |
| N19 | C20 | N21 | 123.0° | 122.1° |
| N19 | C20 | N23 | 118.4° | 119.0° |
| O07 | C06 | C01 | 109.3° | 108.6° |
| C06 | O07 | C08 | 104.9° | 105.5° |
| C06 | C01 | C02 | 121.2° | 119.9° |
| C06 | C01 | O09 | 109.7° | 108.6° |
| O07 | C08 | O09 | 108.4° | 104.0° |
| O07 | C08 | H081 | 109.8° | 110.6° |
| O07 | C08 | H082 | 109.8° | 110.6° |
| C11 | C03 | C02 | 118.5° | 119.9° |
| C03 | C11 | H112 | 110.7° | 109.5° |
| C03 | C11 | H111 | 110.7° | 109.5° |
| C03 | C02 | C01 | 120.2° | 120.0° |
| C03 | C02 | H021 | 119.9° | 120.0° |
| C02 | C01 | O09 | 129.1° | 131.5° |
| C01 | C02 | H021 | 119.9° | 120.0° |
| C01 | O09 | C08 | 105.1° | 105.6° |
| O09 | C08 | H081 | 109.8° | 110.9° |
| O09 | C08 | H082 | 109.7° | 109.9° |
| N21 | C20 | N23 | 118.5° | 118.9° |
| C20 | N23 | H231 | 109.5° | 119.9° |
| C20 | N23 | H232 | 109.5° | 120.1° |
| H081 | C08 | H082 | 109.4° | 110.6° |
| H112 | C11 | H111 | 109.4° | 109.5° |
| H231 | N23 | H232 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C18 | C15 | N14 | 0.5° | 0.0° |
| CL | C18 | C15 | N19 | 179.4° | 180.0° |
| CL | C18 | C15 | C16 | 179.5° | 180.0° |
| CL | C18 | N19 | C20 | 178.0° | 179.8° |
| O17 | C13 | N14 | N12 | 179.1° | 179.9° |
| O17 | C13 | N14 | C15 | 179.4° | 180.0° |
| O17 | C13 | N12 | C16 | 179.2° | 180.0° |
| O17 | C13 | N12 | C11 | 1.1° | 0.2° |
| C13 | N14 | C15 | C18 | 179.7° | 180.0° |
| C13 | N14 | C15 | C16 | 0.3° | 0.1° |
| N14 | C13 | N12 | C16 | 0.1° | 0.1° |
| N14 | C13 | N12 | C11 | 178.0° | 179.7° |
| N14 | C13 | O17 | H171 | 0.0° | 90.1° |
| C15 | N14 | C13 | N12 | 0.3° | 0.1° |
| N14 | C15 | C18 | C16 | 180.0° | 180.0° |
| N14 | C15 | C18 | N19 | 179.9° | 180.0° |
| N14 | C15 | C16 | N12 | 0.2° | 0.0° |
| N14 | C15 | C16 | N21 | 179.6° | 179.7° |
| C13 | N12 | C16 | C15 | 0.1° | 0.0° |
| C13 | N12 | C16 | C11 | 178.2° | 179.7° |
| C13 | N12 | C16 | N21 | 179.8° | 179.7° |
| C13 | N12 | C11 | C03 | 68.6° | 90.3° |
| C13 | N12 | C11 | H112 | 50.6° | 29.7° |
| C13 | N12 | C11 | H111 | 172.2° | 149.7° |
| N12 | C13 | O17 | H171 | 179.0° | 90.0° |
| C18 | C15 | C16 | N12 | 179.8° | 180.0° |
| C18 | C15 | C16 | N21 | 0.3° | 0.3° |
| C15 | C18 | N19 | C20 | 1.4° | 0.3° |
| C16 | C15 | C18 | N19 | 0.1° | 0.0° |
| C15 | C16 | N12 | N21 | 179.9° | 179.7° |
| C15 | C16 | N12 | C11 | 178.3° | 179.7° |
| C15 | C16 | N21 | C20 | 2.2° | 0.3° |
| C18 | N19 | C20 | N21 | 3.4° | 0.2° |
| C18 | N19 | C20 | N23 | 179.8° | 179.7° |
| BR | C04 | C05 | C03 | 179.3° | 180.0° |
| BR | C04 | C05 | C06 | 179.8° | 179.7° |
| BR | C04 | C03 | C11 | 1.1° | 0.0° |
| BR | C04 | C03 | C02 | 180.0° | 180.0° |
| BR | C04 | C05 | H051 | 0.2° | 0.0° |
| C16 | N12 | C11 | C03 | 109.3° | 90.0° |
| N12 | C16 | N21 | C20 | 178.0° | 179.9° |
| C16 | N12 | C11 | H112 | 131.5° | 150.0° |
| C16 | N12 | C11 | H111 | 10.0° | 30.0° |
| N12 | C11 | C03 | C04 | 111.8° | 80.0° |
| C11 | N12 | C16 | N21 | 1.6° | 0.1° |
| N12 | C11 | C03 | H112 | 119.2° | 120.0° |
| N12 | C11 | C03 | H111 | 119.3° | 119.9° |
| N12 | C11 | C03 | C02 | 67.1° | 100.0° |
| N12 | C11 | H112 | H111 | 122.3° | 120.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.7° |
| C04 | C05 | C06 | O07 | 179.4° | 179.9° |
| C04 | C05 | C06 | C01 | 0.3° | 0.6° |
| C05 | C04 | C03 | C11 | 178.1° | 180.0° |
| C05 | C04 | C03 | C02 | 0.8° | 0.0° |
| C06 | C05 | C04 | C03 | 1.0° | 0.3° |
| C05 | C06 | O07 | C01 | 179.7° | 179.4° |
| C05 | C06 | O07 | C08 | 169.5° | 162.7° |
| C05 | C06 | C01 | C02 | 0.5° | 0.6° |
| C05 | C06 | C01 | O09 | 179.5° | 179.7° |
| C04 | C03 | C11 | C02 | 178.8° | 180.0° |
| C04 | C03 | C02 | C01 | 0.0° | 0.1° |
| C04 | C03 | C02 | H021 | 180.0° | 180.0° |
| C03 | C04 | C05 | H051 | 179.1° | 180.0° |
| C04 | C03 | C11 | H112 | 7.5° | 160.0° |
| C04 | C03 | C11 | H111 | 129.0° | 40.0° |
| C16 | N21 | C20 | N19 | 3.7° | 0.1° |
| C16 | N21 | C20 | N23 | 179.5° | 180.0° |
| N19 | C20 | N21 | N23 | 176.8° | 179.9° |
| N19 | C20 | N23 | H231 | 0.0° | 0.0° |
| N19 | C20 | N23 | H232 | 120.0° | 180.0° |
| O07 | C06 | C01 | C02 | 179.7° | 179.9° |
| O07 | C06 | C01 | O09 | 0.3° | 0.2° |
| C06 | O07 | C08 | O09 | 16.2° | 26.5° |
| O07 | C06 | C05 | H051 | 0.6° | 0.4° |
| C06 | O07 | C08 | H081 | 136.1° | 145.7° |
| C06 | O07 | C08 | H082 | 103.6° | 91.4° |
| C01 | C06 | O07 | C08 | 10.2° | 16.7° |
| C06 | C01 | C02 | C03 | 0.7° | 0.4° |
| C06 | C01 | C02 | O09 | 180.0° | 179.6° |
| C06 | C01 | O09 | C08 | 9.7° | 17.1° |
| C06 | C01 | C02 | H021 | 179.3° | 179.7° |
| C01 | C06 | C05 | H051 | 179.7° | 179.7° |
| O07 | C08 | O09 | C01 | 16.1° | 26.7° |
| O07 | C08 | O09 | H081 | 119.9° | 118.9° |
| O07 | C08 | O09 | H082 | 119.8° | 118.4° |
| O07 | C08 | H081 | H082 | 120.5° | 122.9° |
| C11 | C03 | C02 | C01 | 178.9° | 180.0° |
| C11 | C03 | C02 | H021 | 1.1° | 0.1° |
| C03 | C11 | H112 | H111 | 122.2° | 120.0° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C03 | C02 | C01 | O09 | 179.3° | 180.0° |
| C02 | C03 | C11 | H112 | 173.7° | 20.0° |
| C02 | C03 | C11 | H111 | 52.2° | 140.0° |
| C02 | C01 | O09 | C08 | 170.3° | 163.3° |
| O09 | C01 | C02 | H021 | 0.6° | 0.1° |
| C01 | O09 | C08 | H081 | 136.0° | 145.5° |
| C01 | O09 | C08 | H082 | 103.7° | 91.7° |
| O09 | C08 | H081 | H082 | 120.5° | 122.3° |
| N21 | C20 | N23 | H231 | 176.9° | 180.0° |
| N21 | C20 | N23 | H232 | 57.0° | 0.1° |
| C20 | N23 | H231 | H232 | 120.0° | 179.9° |
