9HM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CP3 | CP2 | sing | 1.53Å | 0.00Å | |
| CP1 | CP2 | sing | 1.53Å | 0.00Å | |
| CP2 | OP2 | sing | 1.43Å | 0.00Å | |
| OP2 | CB4 | sing | 1.36Å | 0.00Å | |
| CB5 | CB4 | doub | 1.39Å | 0.00Å | Aromatic |
| CB5 | CB6 | sing | 1.38Å | 0.00Å | Aromatic |
| CB4 | CB3 | sing | 1.39Å | 0.00Å | Aromatic |
| CB6 | CB1 | doub | 1.40Å | 0.00Å | Aromatic |
| CB3 | CB2 | doub | 1.38Å | 0.00Å | Aromatic |
| CB1 | CB2 | sing | 1.40Å | 0.00Å | Aromatic |
| CB1 | CA1 | sing | 1.48Å | 0.00Å | |
| CA1 | OA1 | doub | 1.22Å | 0.00Å | |
| CA1 | NA2 | sing | 1.35Å | 0.00Å | |
| NA2 | CQ8 | sing | 1.40Å | 0.00Å | |
| CQ7 | CQ8 | doub | 1.38Å | 0.00Å | Aromatic |
| CQ7 | CQ6 | sing | 1.39Å | 0.00Å | Aromatic |
| CQ8 | CQ9 | sing | 1.41Å | 0.00Å | Aromatic |
| CQ6 | CQ5 | doub | 1.36Å | 0.00Å | Aromatic |
| CQ9 | NQ1 | doub | 1.33Å | 0.00Å | Aromatic |
| CQ9 | CQ1 | sing | 1.42Å | 0.00Å | Aromatic |
| NQ1 | CQ2 | sing | 1.31Å | 0.00Å | Aromatic |
| CQ5 | CQ1 | sing | 1.40Å | 0.00Å | Aromatic |
| CQ1 | CQ4 | doub | 1.41Å | 0.00Å | Aromatic |
| CQ2 | CM2 | sing | 1.51Å | 0.00Å | |
| CQ2 | CQ3 | doub | 1.39Å | 0.00Å | Aromatic |
| CQ4 | CQ3 | sing | 1.37Å | 0.00Å | Aromatic |
| CB2 | HB2 | sing | 1.08Å | 0.00Å | |
| CB3 | HB3 | sing | 1.08Å | 0.00Å | |
| CB6 | HB6 | sing | 1.08Å | 0.00Å | |
| CB5 | HB5 | sing | 1.08Å | 0.00Å | |
| CM2 | HM21 | sing | 1.09Å | 0.00Å | |
| CM2 | HM22 | sing | 1.09Å | 0.00Å | |
| CM2 | HM23 | sing | 1.09Å | 0.00Å | |
| CP1 | HP12 | sing | 1.09Å | 0.00Å | |
| CP1 | HP13 | sing | 1.09Å | 0.00Å | |
| CP1 | HP11 | sing | 1.09Å | 0.00Å | |
| CP2 | HP2 | sing | 1.09Å | 0.00Å | |
| CP3 | HP31 | sing | 1.09Å | 0.00Å | |
| CP3 | HP32 | sing | 1.09Å | 0.00Å | |
| CP3 | HP33 | sing | 1.09Å | 0.00Å | |
| CQ3 | HQ3 | sing | 1.08Å | 0.00Å | |
| CQ4 | HQ4 | sing | 1.08Å | 0.00Å | |
| CQ5 | HQ5 | sing | 1.08Å | 0.00Å | |
| CQ6 | HQ6 | sing | 1.08Å | 0.00Å | |
| CQ7 | HQ7 | sing | 1.08Å | 0.00Å | |
| NA2 | HA2 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CP3 | CP2 | CP1 | 90.0° | 109.5° |
| CP3 | CP2 | OP2 | 90.0° | 109.5° |
| CP3 | CP2 | HP2 | 90.0° | 109.5° |
| CP2 | CP3 | HP31 | 90.0° | 109.5° |
| CP2 | CP3 | HP32 | 90.0° | 109.5° |
| CP2 | CP3 | HP33 | 90.0° | 109.5° |
| CP1 | CP2 | OP2 | 90.0° | 109.5° |
| CP2 | CP1 | HP12 | 90.0° | 109.5° |
| CP2 | CP1 | HP13 | 90.0° | 109.5° |
| CP2 | CP1 | HP11 | 90.0° | 109.5° |
| CP1 | CP2 | HP2 | 90.0° | 109.5° |
| CP2 | OP2 | CB4 | 90.0° | 117.0° |
| OP2 | CP2 | HP2 | 90.0° | 109.5° |
| OP2 | CB4 | CB5 | 90.0° | 119.9° |
| OP2 | CB4 | CB3 | 90.0° | 119.9° |
| CB4 | CB5 | CB6 | 90.0° | 120.1° |
| CB5 | CB4 | CB3 | 90.0° | 120.2° |
| CB4 | CB5 | HB5 | 90.0° | 119.9° |
| CB5 | CB6 | CB1 | 90.0° | 119.9° |
| CB5 | CB6 | HB6 | 90.0° | 120.0° |
| CB6 | CB5 | HB5 | 90.0° | 120.0° |
| CB4 | CB3 | CB2 | 90.0° | 120.1° |
| CB4 | CB3 | HB3 | 90.0° | 120.0° |
| CB6 | CB1 | CB2 | 90.0° | 119.9° |
| CB6 | CB1 | CA1 | 90.0° | 120.1° |
| CB1 | CB6 | HB6 | 90.0° | 120.1° |
| CB3 | CB2 | CB1 | 90.0° | 119.9° |
| CB3 | CB2 | HB2 | 90.0° | 120.1° |
| CB2 | CB3 | HB3 | 90.0° | 119.9° |
| CB2 | CB1 | CA1 | 90.0° | 120.1° |
| CB1 | CB2 | HB2 | 90.0° | 120.1° |
| CB1 | CA1 | OA1 | 90.0° | 120.0° |
| CB1 | CA1 | NA2 | 90.0° | 120.0° |
| OA1 | CA1 | NA2 | 90.0° | 120.0° |
| CA1 | NA2 | CQ8 | 90.0° | 120.0° |
| CA1 | NA2 | HA2 | 90.0° | 120.0° |
| NA2 | CQ8 | CQ7 | 90.0° | 120.2° |
| NA2 | CQ8 | CQ9 | 90.0° | 120.2° |
| CQ8 | NA2 | HA2 | 90.0° | 120.0° |
| CQ8 | CQ7 | CQ6 | 90.0° | 120.8° |
| CQ7 | CQ8 | CQ9 | 90.0° | 119.5° |
| CQ8 | CQ7 | HQ7 | 90.0° | 119.6° |
| CQ7 | CQ6 | CQ5 | 90.0° | 121.0° |
| CQ7 | CQ6 | HQ6 | 90.0° | 119.5° |
| CQ6 | CQ7 | HQ7 | 90.0° | 119.5° |
| CQ8 | CQ9 | NQ1 | 90.0° | 121.1° |
| CQ8 | CQ9 | CQ1 | 90.0° | 119.0° |
| CQ6 | CQ5 | CQ1 | 90.0° | 119.9° |
| CQ6 | CQ5 | HQ5 | 90.0° | 120.1° |
| CQ5 | CQ6 | HQ6 | 90.0° | 119.5° |
| NQ1 | CQ9 | CQ1 | 90.0° | 119.9° |
| CQ9 | NQ1 | CQ2 | 90.0° | 121.4° |
| CQ9 | CQ1 | CQ5 | 90.0° | 119.8° |
| CQ9 | CQ1 | CQ4 | 90.0° | 118.9° |
| NQ1 | CQ2 | CM2 | 90.0° | 119.1° |
| NQ1 | CQ2 | CQ3 | 90.0° | 121.7° |
| CQ5 | CQ1 | CQ4 | 90.0° | 121.3° |
| CQ1 | CQ5 | HQ5 | 90.0° | 120.0° |
| CQ1 | CQ4 | CQ3 | 90.0° | 118.2° |
| CQ1 | CQ4 | HQ4 | 90.0° | 120.8° |
| CM2 | CQ2 | CQ3 | 90.0° | 119.2° |
| CQ2 | CM2 | HM21 | 90.0° | 109.5° |
| CQ2 | CM2 | HM22 | 90.0° | 109.5° |
| CQ2 | CM2 | HM23 | 90.0° | 109.5° |
| CQ2 | CQ3 | CQ4 | 90.0° | 119.9° |
| CQ2 | CQ3 | HQ3 | 90.0° | 120.0° |
| CQ4 | CQ3 | HQ3 | 90.0° | 120.0° |
| CQ3 | CQ4 | HQ4 | 90.0° | 121.0° |
| HM21 | CM2 | HM22 | 90.0° | 109.5° |
| HM21 | CM2 | HM23 | 90.0° | 109.4° |
| HM22 | CM2 | HM23 | 90.0° | 109.5° |
| HP12 | CP1 | HP13 | 90.0° | 109.4° |
| HP12 | CP1 | HP11 | 90.0° | 109.5° |
| HP13 | CP1 | HP11 | 90.0° | 109.5° |
| HP31 | CP3 | HP32 | 90.0° | 109.4° |
| HP31 | CP3 | HP33 | 90.0° | 109.5° |
| HP32 | CP3 | HP33 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CP3 | CP2 | CP1 | OP2 | 90.0° | 120.0° |
| CP3 | CP2 | CP1 | HP2 | 90.0° | 120.0° |
| CP3 | CP2 | OP2 | HP2 | 90.0° | 120.0° |
| CP3 | CP2 | OP2 | CB4 | 90.0° | 146.1° |
| CP3 | CP2 | CP1 | HP12 | 90.0° | 60.0° |
| CP3 | CP2 | CP1 | HP13 | 90.0° | 60.0° |
| CP3 | CP2 | CP1 | HP11 | 90.0° | 180.0° |
| CP2 | CP3 | HP31 | HP32 | 90.0° | 120.0° |
| CP2 | CP3 | HP31 | HP33 | 90.0° | 120.0° |
| CP2 | CP3 | HP32 | HP33 | 90.0° | 120.0° |
| CP1 | CP2 | OP2 | HP2 | 90.0° | 120.0° |
| CP1 | CP2 | OP2 | CB4 | 90.0° | 93.8° |
| CP2 | CP1 | HP12 | HP13 | 90.0° | 120.0° |
| CP2 | CP1 | HP12 | HP11 | 90.0° | 120.0° |
| CP2 | CP1 | HP13 | HP11 | 90.0° | 120.0° |
| CP1 | CP2 | CP3 | HP31 | 90.0° | 60.0° |
| CP1 | CP2 | CP3 | HP32 | 90.0° | 180.0° |
| CP1 | CP2 | CP3 | HP33 | 90.0° | 60.0° |
| CP2 | OP2 | CB4 | CB5 | 90.0° | 173.9° |
| CP2 | OP2 | CB4 | CB3 | 90.0° | 6.1° |
| OP2 | CP2 | CP1 | HP12 | 90.0° | 60.0° |
| OP2 | CP2 | CP1 | HP13 | 90.0° | 180.0° |
| OP2 | CP2 | CP1 | HP11 | 90.0° | 60.0° |
| OP2 | CP2 | CP3 | HP31 | 90.0° | 60.0° |
| OP2 | CP2 | CP3 | HP32 | 90.0° | 60.0° |
| OP2 | CP2 | CP3 | HP33 | 90.0° | 180.0° |
| OP2 | CB4 | CB5 | CB3 | 90.0° | 180.0° |
| OP2 | CB4 | CB5 | CB6 | 90.0° | 180.0° |
| OP2 | CB4 | CB3 | CB2 | 90.0° | 180.0° |
| OP2 | CB4 | CB3 | HB3 | 90.0° | 0.1° |
| OP2 | CB4 | CB5 | HB5 | 90.0° | 0.0° |
| CB4 | OP2 | CP2 | HP2 | 90.0° | 26.2° |
| CB4 | CB5 | CB6 | HB5 | 90.0° | 180.0° |
| CB4 | CB5 | CB6 | CB1 | 90.0° | 0.3° |
| CB5 | CB4 | CB3 | CB2 | 90.0° | 0.0° |
| CB5 | CB4 | CB3 | HB3 | 90.0° | 179.9° |
| CB4 | CB5 | CB6 | HB6 | 90.0° | 179.7° |
| CB6 | CB5 | CB4 | CB3 | 90.0° | 0.0° |
| CB5 | CB6 | CB1 | HB6 | 90.0° | 179.4° |
| CB5 | CB6 | CB1 | CB2 | 90.0° | 0.5° |
| CB5 | CB6 | CB1 | CA1 | 90.0° | 180.0° |
| CB4 | CB3 | CB2 | HB3 | 90.0° | 179.9° |
| CB4 | CB3 | CB2 | CB1 | 90.0° | 0.3° |
| CB4 | CB3 | CB2 | HB2 | 90.0° | 180.0° |
| CB3 | CB4 | CB5 | HB5 | 90.0° | 180.0° |
| CB6 | CB1 | CB2 | CB3 | 90.0° | 0.5° |
| CB6 | CB1 | CB2 | CA1 | 90.0° | 179.5° |
| CB6 | CB1 | CA1 | OA1 | 90.0° | 0.0° |
| CB6 | CB1 | CA1 | NA2 | 90.0° | 180.0° |
| CB6 | CB1 | CB2 | HB2 | 90.0° | 179.7° |
| CB1 | CB6 | CB5 | HB5 | 90.0° | 179.7° |
| CB3 | CB2 | CB1 | HB2 | 90.0° | 179.7° |
| CB3 | CB2 | CB1 | CA1 | 90.0° | 180.0° |
| CB2 | CB1 | CA1 | OA1 | 90.0° | 179.5° |
| CB2 | CB1 | CA1 | NA2 | 90.0° | 0.6° |
| CB1 | CB2 | CB3 | HB3 | 90.0° | 179.8° |
| CB2 | CB1 | CB6 | HB6 | 90.0° | 179.9° |
| CB1 | CA1 | OA1 | NA2 | 90.0° | 179.9° |
| CB1 | CA1 | NA2 | CQ8 | 90.0° | 175.6° |
| CA1 | CB1 | CB2 | HB2 | 90.0° | 0.2° |
| CA1 | CB1 | CB6 | HB6 | 90.0° | 0.6° |
| CB1 | CA1 | NA2 | HA2 | 90.0° | 4.4° |
| OA1 | CA1 | NA2 | CQ8 | 90.0° | 4.3° |
| OA1 | CA1 | NA2 | HA2 | 90.0° | 175.6° |
| CA1 | NA2 | CQ8 | HA2 | 90.0° | 180.0° |
| CA1 | NA2 | CQ8 | CQ7 | 90.0° | 34.6° |
| CA1 | NA2 | CQ8 | CQ9 | 90.0° | 144.5° |
| NA2 | CQ8 | CQ7 | CQ9 | 90.0° | 179.1° |
| NA2 | CQ8 | CQ7 | CQ6 | 90.0° | 180.0° |
| NA2 | CQ8 | CQ9 | NQ1 | 90.0° | 0.3° |
| NA2 | CQ8 | CQ9 | CQ1 | 90.0° | 179.7° |
| NA2 | CQ8 | CQ7 | HQ7 | 90.0° | 0.9° |
| CQ8 | CQ7 | CQ6 | HQ7 | 90.0° | 179.1° |
| CQ8 | CQ7 | CQ6 | CQ5 | 90.0° | 0.6° |
| CQ7 | CQ8 | CQ9 | NQ1 | 90.0° | 179.4° |
| CQ7 | CQ8 | CQ9 | CQ1 | 90.0° | 0.6° |
| CQ8 | CQ7 | CQ6 | HQ6 | 90.0° | 179.4° |
| CQ7 | CQ8 | NA2 | HA2 | 90.0° | 145.4° |
| CQ6 | CQ7 | CQ8 | CQ9 | 90.0° | 0.9° |
| CQ7 | CQ6 | CQ5 | HQ6 | 90.0° | 180.0° |
| CQ7 | CQ6 | CQ5 | CQ1 | 90.0° | 0.1° |
| CQ7 | CQ6 | CQ5 | HQ5 | 90.0° | 180.0° |
| CQ8 | CQ9 | NQ1 | CQ1 | 90.0° | 180.0° |
| CQ8 | CQ9 | NQ1 | CQ2 | 90.0° | 180.0° |
| CQ8 | CQ9 | CQ1 | CQ5 | 90.0° | 0.1° |
| CQ8 | CQ9 | CQ1 | CQ4 | 90.0° | 179.7° |
| CQ9 | CQ8 | CQ7 | HQ7 | 90.0° | 180.0° |
| CQ9 | CQ8 | NA2 | HA2 | 90.0° | 35.5° |
| CQ6 | CQ5 | CQ1 | CQ9 | 90.0° | 0.2° |
| CQ6 | CQ5 | CQ1 | HQ5 | 90.0° | 179.9° |
| CQ6 | CQ5 | CQ1 | CQ4 | 90.0° | 180.0° |
| CQ5 | CQ6 | CQ7 | HQ7 | 90.0° | 179.7° |
| NQ1 | CQ9 | CQ1 | CQ5 | 90.0° | 179.9° |
| NQ1 | CQ9 | CQ1 | CQ4 | 90.0° | 0.2° |
| CQ9 | NQ1 | CQ2 | CM2 | 90.0° | 180.0° |
| CQ9 | NQ1 | CQ2 | CQ3 | 90.0° | 0.3° |
| CQ1 | CQ9 | NQ1 | CQ2 | 90.0° | 0.0° |
| CQ9 | CQ1 | CQ5 | CQ4 | 90.0° | 179.8° |
| CQ9 | CQ1 | CQ4 | CQ3 | 90.0° | 0.2° |
| CQ9 | CQ1 | CQ4 | HQ4 | 90.0° | 179.8° |
| CQ9 | CQ1 | CQ5 | HQ5 | 90.0° | 179.8° |
| NQ1 | CQ2 | CM2 | CQ3 | 90.0° | 179.8° |
| NQ1 | CQ2 | CQ3 | CQ4 | 90.0° | 0.2° |
| NQ1 | CQ2 | CM2 | HM21 | 90.0° | 90.3° |
| NQ1 | CQ2 | CM2 | HM22 | 90.0° | 29.7° |
| NQ1 | CQ2 | CM2 | HM23 | 90.0° | 149.7° |
| NQ1 | CQ2 | CQ3 | HQ3 | 90.0° | 179.7° |
| CQ5 | CQ1 | CQ4 | CQ3 | 90.0° | 179.9° |
| CQ5 | CQ1 | CQ4 | HQ4 | 90.0° | 0.1° |
| CQ1 | CQ5 | CQ6 | HQ6 | 90.0° | 180.0° |
| CQ1 | CQ4 | CQ3 | CQ2 | 90.0° | 0.0° |
| CQ1 | CQ4 | CQ3 | HQ4 | 90.0° | 180.0° |
| CQ1 | CQ4 | CQ3 | HQ3 | 90.0° | 180.0° |
| CQ4 | CQ1 | CQ5 | HQ5 | 90.0° | 0.1° |
| CM2 | CQ2 | CQ3 | CQ4 | 90.0° | 180.0° |
| CQ2 | CM2 | HM21 | HM22 | 90.0° | 120.0° |
| CQ2 | CM2 | HM21 | HM23 | 90.0° | 120.0° |
| CQ2 | CM2 | HM22 | HM23 | 90.0° | 120.0° |
| CM2 | CQ2 | CQ3 | HQ3 | 90.0° | 0.0° |
| CQ2 | CQ3 | CQ4 | HQ3 | 90.0° | 180.0° |
| CQ3 | CQ2 | CM2 | HM21 | 90.0° | 89.9° |
| CQ3 | CQ2 | CM2 | HM22 | 90.0° | 150.0° |
| CQ3 | CQ2 | CM2 | HM23 | 90.0° | 30.0° |
| CQ2 | CQ3 | CQ4 | HQ4 | 90.0° | 180.0° |
| HB2 | CB2 | CB3 | HB3 | 90.0° | 0.1° |
| HB6 | CB6 | CB5 | HB5 | 90.0° | 0.3° |
| HM21 | CM2 | HM22 | HM23 | 90.0° | 119.9° |
| HP12 | CP1 | HP13 | HP11 | 90.0° | 120.0° |
| HP12 | CP1 | CP2 | HP2 | 90.0° | 180.0° |
| HP13 | CP1 | CP2 | HP2 | 90.0° | 60.0° |
| HP11 | CP1 | CP2 | HP2 | 90.0° | 60.0° |
| HP2 | CP2 | CP3 | HP31 | 90.0° | 180.0° |
| HP2 | CP2 | CP3 | HP32 | 90.0° | 60.0° |
| HP2 | CP2 | CP3 | HP33 | 90.0° | 60.0° |
| HP31 | CP3 | HP32 | HP33 | 90.0° | 119.9° |
| HQ3 | CQ3 | CQ4 | HQ4 | 90.0° | 0.0° |
| HQ5 | CQ5 | CQ6 | HQ6 | 90.0° | 0.0° |
| HQ6 | CQ6 | CQ7 | HQ7 | 90.0° | 0.3° |
