34F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.35Å | 1.27Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | O2 | sing | 1.42Å | 1.39Å | |
| CL1 | C8 | sing | 1.74Å | 1.80Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| CL2 | C9 | sing | 1.74Å | 1.80Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C6 | sing | 1.51Å | 1.51Å | |
| C4 | PA1 | sing | 1.82Å | 1.62Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| PA1 | OP1 | sing | 1.61Å | 1.51Å | |
| PA1 | OP2 | sing | 1.61Å | 1.51Å | |
| PA1 | OP3 | doub | 1.48Å | 1.50Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| OP1 | HP1 | sing | 0.97Å | 0.95Å | |
| OP2 | HP2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 121.9° | 120.0° |
| C1 | N1 | C2 | 120.5° | 120.0° |
| C1 | N1 | O2 | 120.7° | 120.0° |
| N1 | C1 | H1 | 119.1° | 120.0° |
| O1 | C1 | H1 | 119.1° | 120.0° |
| C2 | N1 | O2 | 118.8° | 120.0° |
| N1 | C2 | C3 | 108.2° | 109.4° |
| N1 | C2 | H2 | 109.9° | 109.4° |
| N1 | C2 | H2A | 110.2° | 109.5° |
| N1 | O2 | HO2 | 109.5° | 114.0° |
| CL1 | C8 | C7 | 118.1° | 120.0° |
| CL1 | C8 | C9 | 121.9° | 120.0° |
| C2 | C3 | C4 | 113.7° | 109.5° |
| C3 | C2 | H2 | 109.9° | 109.5° |
| C3 | C2 | H2A | 110.2° | 109.5° |
| C2 | C3 | H3 | 108.1° | 109.5° |
| C2 | C3 | H3A | 107.2° | 109.5° |
| CL2 | C9 | C8 | 121.0° | 120.0° |
| CL2 | C9 | C10 | 118.7° | 120.0° |
| C3 | C4 | C6 | 108.5° | 109.5° |
| C3 | C4 | PA1 | 112.5° | 109.5° |
| C4 | C3 | H3 | 108.1° | 109.5° |
| C4 | C3 | H3A | 107.1° | 109.5° |
| C3 | C4 | H4 | 109.6° | 109.5° |
| C6 | C4 | PA1 | 113.7° | 109.5° |
| C4 | C6 | C7 | 121.2° | 120.0° |
| C4 | C6 | C11 | 118.9° | 120.0° |
| C6 | C4 | H4 | 108.4° | 109.5° |
| C4 | PA1 | OP1 | 104.0° | 109.5° |
| C4 | PA1 | OP2 | 104.6° | 109.5° |
| C4 | PA1 | OP3 | 108.5° | 109.5° |
| PA1 | C4 | H4 | 104.0° | 109.4° |
| C7 | C6 | C11 | 119.9° | 120.0° |
| C6 | C7 | C8 | 120.0° | 120.0° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C6 | C11 | C10 | 120.4° | 120.1° |
| C6 | C11 | H11 | 119.8° | 120.0° |
| C7 | C8 | C9 | 120.0° | 120.0° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C8 | C9 | C10 | 120.2° | 120.0° |
| C9 | C10 | C11 | 119.5° | 120.0° |
| C9 | C10 | H10 | 120.2° | 120.0° |
| C11 | C10 | H10 | 120.2° | 120.0° |
| C10 | C11 | H11 | 119.8° | 119.9° |
| OP1 | PA1 | OP2 | 113.3° | 109.5° |
| OP1 | PA1 | OP3 | 112.6° | 109.5° |
| PA1 | OP1 | HP1 | 109.5° | 114.1° |
| OP2 | PA1 | OP3 | 113.0° | 109.5° |
| PA1 | OP2 | HP2 | 109.5° | 114.0° |
| H2 | C2 | H2A | 108.5° | 109.5° |
| H3 | C3 | H3A | 112.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | O2 | 179.5° | 179.9° |
| C1 | N1 | C2 | C3 | 120.5° | 75.0° |
| C1 | N1 | C2 | H2 | 0.6° | 165.0° |
| C1 | N1 | C2 | H2A | 119.0° | 44.9° |
| C1 | N1 | O2 | HO2 | 78.8° | 180.0° |
| O1 | C1 | N1 | C2 | 176.9° | 179.9° |
| O1 | C1 | N1 | O2 | 2.6° | 0.0° |
| N1 | C2 | C3 | H2 | 120.0° | 119.9° |
| N1 | C2 | C3 | H2A | 120.5° | 120.0° |
| N1 | C2 | C3 | C4 | 69.3° | 174.8° |
| C2 | N1 | C1 | H1 | 3.1° | 0.3° |
| N1 | C2 | H2 | H2A | 120.6° | 120.0° |
| C2 | N1 | O2 | HO2 | 101.7° | 0.1° |
| N1 | C2 | C3 | H3 | 170.7° | 65.2° |
| N1 | C2 | C3 | H3A | 48.8° | 54.8° |
| O2 | N1 | C2 | C3 | 59.9° | 105.0° |
| O2 | N1 | C1 | H1 | 177.4° | 179.7° |
| O2 | N1 | C2 | H2 | 179.9° | 14.9° |
| O2 | N1 | C2 | H2A | 60.6° | 135.0° |
| CL1 | C8 | C9 | CL2 | 0.4° | 0.0° |
| CL1 | C8 | C7 | C6 | 179.8° | 180.0° |
| CL1 | C8 | C7 | C9 | 179.9° | 179.9° |
| CL1 | C8 | C9 | C10 | 179.9° | 179.9° |
| CL1 | C8 | C7 | H7 | 0.2° | 0.1° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 118.2° | 120.1° |
| C2 | C3 | C4 | C6 | 48.9° | 65.5° |
| C2 | C3 | C4 | PA1 | 175.5° | 174.5° |
| C3 | C2 | H2 | H2A | 120.5° | 120.0° |
| C2 | C3 | H3 | H3A | 118.3° | 120.0° |
| C2 | C3 | C4 | H4 | 69.3° | 54.5° |
| CL2 | C9 | C8 | C7 | 179.6° | 179.9° |
| CL2 | C9 | C8 | C10 | 179.7° | 180.0° |
| CL2 | C9 | C10 | C11 | 179.7° | 179.8° |
| CL2 | C9 | C10 | H10 | 0.3° | 0.1° |
| C3 | C4 | C6 | PA1 | 126.0° | 120.0° |
| C3 | C4 | C6 | H4 | 119.0° | 120.0° |
| C3 | C4 | PA1 | H4 | 118.5° | 120.0° |
| C3 | C4 | C6 | C7 | 56.1° | 135.0° |
| C3 | C4 | C6 | C11 | 121.9° | 44.8° |
| C3 | C4 | PA1 | OP1 | 172.9° | 65.1° |
| C3 | C4 | PA1 | OP2 | 53.8° | 175.0° |
| C3 | C4 | PA1 | OP3 | 67.1° | 54.9° |
| C4 | C3 | C2 | H2 | 50.6° | 54.9° |
| C4 | C3 | C2 | H2A | 170.1° | 65.2° |
| C4 | C3 | H3 | H3A | 118.3° | 120.0° |
| C6 | C4 | PA1 | H4 | 117.6° | 120.0° |
| C4 | C6 | C7 | C11 | 178.0° | 179.8° |
| C4 | C6 | C7 | C8 | 178.6° | 180.0° |
| C4 | C6 | C11 | C10 | 178.7° | 179.7° |
| C6 | C4 | PA1 | OP1 | 63.3° | 174.9° |
| C6 | C4 | PA1 | OP2 | 177.6° | 54.9° |
| C6 | C4 | PA1 | OP3 | 56.8° | 65.1° |
| C6 | C4 | C3 | H3 | 71.1° | 54.5° |
| C6 | C4 | C3 | H3A | 167.1° | 174.5° |
| C4 | C6 | C7 | H7 | 1.4° | 0.0° |
| C4 | C6 | C11 | H11 | 1.4° | 0.0° |
| PA1 | C4 | C6 | C7 | 69.9° | 104.9° |
| PA1 | C4 | C6 | C11 | 112.1° | 75.2° |
| C4 | PA1 | OP1 | OP2 | 113.0° | 120.0° |
| C4 | PA1 | OP1 | OP3 | 117.3° | 120.0° |
| C4 | PA1 | OP2 | OP3 | 117.9° | 120.0° |
| PA1 | C4 | C3 | H3 | 55.5° | 65.5° |
| PA1 | C4 | C3 | H3A | 66.3° | 54.4° |
| C4 | PA1 | OP1 | HP1 | 67.3° | 65.0° |
| C4 | PA1 | OP2 | HP2 | 135.1° | 60.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.2° | 0.1° |
| C7 | C6 | C11 | C10 | 0.6° | 0.4° |
| C7 | C6 | C4 | H4 | 175.1° | 15.0° |
| C7 | C6 | C11 | H11 | 179.4° | 179.8° |
| C11 | C6 | C7 | C8 | 0.6° | 0.1° |
| C6 | C11 | C10 | C9 | 0.3° | 0.5° |
| C6 | C11 | C10 | H11 | 180.0° | 179.8° |
| C11 | C6 | C4 | H4 | 2.9° | 164.8° |
| C11 | C6 | C7 | H7 | 179.4° | 179.8° |
| C6 | C11 | C10 | H10 | 179.7° | 179.8° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.3° |
| C9 | C8 | C7 | H7 | 179.8° | 180.0° |
| C8 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | H11 | 179.7° | 179.7° |
| OP1 | PA1 | OP2 | OP3 | 129.5° | 120.0° |
| OP1 | PA1 | C4 | H4 | 54.3° | 54.9° |
| OP1 | PA1 | OP2 | HP2 | 22.4° | 179.9° |
| OP2 | PA1 | C4 | H4 | 64.7° | 65.0° |
| OP2 | PA1 | OP1 | HP1 | 179.7° | 175.0° |
| OP3 | PA1 | C4 | H4 | 174.4° | 174.9° |
| OP3 | PA1 | OP1 | HP1 | 50.0° | 55.0° |
| OP3 | PA1 | OP2 | HP2 | 107.1° | 59.9° |
| H2 | C2 | C3 | H3 | 69.3° | 174.9° |
| H2 | C2 | C3 | H3A | 168.8° | 65.1° |
| H2A | C2 | C3 | H3 | 50.2° | 54.9° |
| H2A | C2 | C3 | H3A | 71.7° | 174.8° |
| H3 | C3 | C4 | H4 | 170.7° | 174.5° |
| H3A | C3 | C4 | H4 | 48.9° | 65.5° |
| H10 | C10 | C11 | H11 | 0.3° | 0.0° |
