Obsolete: PHM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C10 | sing | 1.51Å | 1.52Å | |
| C1 | CL1 | sing | 1.80Å | 1.77Å | |
| C1 | HM2 | sing | 1.09Å | 1.10Å | |
| C1 | HM3 | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C10 | sing | 1.51Å | 1.52Å | |
| C2 | HA | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.46Å | |
| C3 | HB2 | sing | 1.09Å | 1.10Å | |
| C3 | HB3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | HD1 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | HD2 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | HE1 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | HE2 | sing | 1.08Å | 1.08Å | |
| C9 | HZ | sing | 1.08Å | 1.08Å | |
| C10 | O1 | doub | 1.21Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C1 | CL1 | 109.5° | 109.5° |
| C10 | C1 | HM2 | 109.5° | 109.5° |
| C10 | C1 | HM3 | 109.5° | 109.5° |
| C1 | C10 | C2 | 111.0° | 120.0° |
| C1 | C10 | O1 | 109.0° | 120.0° |
| CL1 | C1 | HM2 | 109.5° | 109.5° |
| CL1 | C1 | HM3 | 109.5° | 109.5° |
| HM2 | C1 | HM3 | 109.4° | 109.4° |
| C2 | N1 | H | 109.5° | 111.0° |
| C2 | N1 | H2 | 109.5° | 111.1° |
| N1 | C2 | C3 | 110.1° | 109.5° |
| N1 | C2 | C10 | 110.7° | 109.5° |
| N1 | C2 | HA | 107.9° | 109.5° |
| H | N1 | H2 | 109.5° | 111.0° |
| C3 | C2 | C10 | 108.7° | 109.4° |
| C3 | C2 | HA | 110.0° | 109.4° |
| C2 | C3 | C4 | 113.4° | 109.5° |
| C2 | C3 | HB2 | 108.2° | 109.5° |
| C2 | C3 | HB3 | 108.2° | 109.5° |
| C10 | C2 | HA | 109.4° | 109.5° |
| C2 | C10 | O1 | 108.5° | 120.0° |
| C4 | C3 | HB2 | 108.2° | 109.4° |
| C4 | C3 | HB3 | 108.2° | 109.5° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C3 | C4 | C6 | 120.3° | 120.0° |
| HB2 | C3 | HB3 | 110.7° | 109.4° |
| C5 | C4 | C6 | 119.5° | 120.0° |
| C4 | C5 | C7 | 120.3° | 120.0° |
| C4 | C5 | HD1 | 119.8° | 120.0° |
| C4 | C6 | C8 | 120.5° | 120.0° |
| C4 | C6 | HD2 | 119.8° | 120.0° |
| C7 | C5 | HD1 | 119.9° | 120.0° |
| C5 | C7 | C9 | 120.0° | 120.0° |
| C5 | C7 | HE1 | 120.0° | 120.0° |
| C8 | C6 | HD2 | 119.7° | 120.1° |
| C6 | C8 | C9 | 119.5° | 120.1° |
| C6 | C8 | HE2 | 120.3° | 120.0° |
| C9 | C7 | HE1 | 120.0° | 120.0° |
| C7 | C9 | C8 | 120.1° | 120.0° |
| C7 | C9 | HZ | 119.9° | 120.0° |
| C9 | C8 | HE2 | 120.3° | 120.0° |
| C8 | C9 | HZ | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C1 | CL1 | HM2 | 120.0° | 120.0° |
| C10 | C1 | CL1 | HM3 | 120.0° | 120.0° |
| C10 | C1 | HM2 | HM3 | 120.0° | 120.0° |
| C1 | C10 | C2 | N1 | 61.3° | 165.0° |
| C1 | C10 | C2 | C3 | 177.6° | 75.0° |
| C1 | C10 | C2 | O1 | 119.7° | 179.9° |
| C1 | C10 | C2 | HA | 57.5° | 44.9° |
| CL1 | C1 | HM2 | HM3 | 120.0° | 120.0° |
| CL1 | C1 | C10 | C2 | 119.4° | 180.0° |
| CL1 | C1 | C10 | O1 | 0.0° | 0.0° |
| HM2 | C1 | C10 | C2 | 120.6° | 59.9° |
| HM2 | C1 | C10 | O1 | 120.0° | 120.0° |
| HM3 | C1 | C10 | C2 | 0.7° | 60.0° |
| HM3 | C1 | C10 | O1 | 120.0° | 120.0° |
| C2 | N1 | H | H2 | 120.0° | 124.0° |
| N1 | C2 | C3 | C10 | 121.5° | 120.0° |
| N1 | C2 | C3 | HA | 118.8° | 120.0° |
| N1 | C2 | C10 | HA | 118.8° | 120.1° |
| N1 | C2 | C3 | C4 | 61.2° | 65.0° |
| N1 | C2 | C3 | HB2 | 58.8° | 55.0° |
| N1 | C2 | C3 | HB3 | 178.8° | 175.0° |
| N1 | C2 | C10 | O1 | 179.0° | 14.9° |
| H | N1 | C2 | C3 | 180.0° | 176.0° |
| H | N1 | C2 | C10 | 59.7° | 64.0° |
| H | N1 | C2 | HA | 60.0° | 56.1° |
| H2 | N1 | C2 | C3 | 60.0° | 60.0° |
| H2 | N1 | C2 | C10 | 60.3° | 59.9° |
| H2 | N1 | C2 | HA | 180.0° | 180.0° |
| C3 | C2 | C10 | HA | 120.1° | 120.0° |
| C2 | C3 | C4 | HB2 | 120.0° | 120.0° |
| C2 | C3 | C4 | HB3 | 120.0° | 120.0° |
| C2 | C3 | HB2 | HB3 | 118.4° | 120.0° |
| C2 | C3 | C4 | C5 | 69.3° | 90.0° |
| C2 | C3 | C4 | C6 | 106.4° | 90.2° |
| C3 | C2 | C10 | O1 | 57.9° | 105.0° |
| C10 | C2 | C3 | C4 | 177.4° | 175.0° |
| C10 | C2 | C3 | HB2 | 62.7° | 65.0° |
| C10 | C2 | C3 | HB3 | 57.3° | 55.0° |
| HA | C2 | C3 | C4 | 57.6° | 55.0° |
| HA | C2 | C3 | HB2 | 177.6° | 175.0° |
| HA | C2 | C3 | HB3 | 62.4° | 65.0° |
| HA | C2 | C10 | O1 | 62.2° | 135.0° |
| C4 | C3 | HB2 | HB3 | 118.4° | 120.0° |
| C3 | C4 | C5 | C6 | 175.7° | 179.8° |
| C3 | C4 | C5 | C7 | 175.0° | 179.9° |
| C3 | C4 | C5 | HD1 | 5.0° | 0.0° |
| C3 | C4 | C6 | C8 | 175.1° | 180.0° |
| C3 | C4 | C6 | HD2 | 4.9° | 0.1° |
| HB2 | C3 | C4 | C5 | 170.8° | 30.1° |
| HB2 | C3 | C4 | C6 | 13.6° | 149.7° |
| HB3 | C3 | C4 | C5 | 50.7° | 150.0° |
| HB3 | C3 | C4 | C6 | 133.6° | 29.8° |
| C4 | C5 | C7 | HD1 | 180.0° | 180.0° |
| C5 | C4 | C6 | C8 | 0.6° | 0.2° |
| C5 | C4 | C6 | HD2 | 179.5° | 179.7° |
| C4 | C5 | C7 | C9 | 0.3° | 0.0° |
| C4 | C5 | C7 | HE1 | 179.7° | 180.0° |
| C6 | C4 | C5 | C7 | 0.7° | 0.2° |
| C6 | C4 | C5 | HD1 | 179.3° | 179.8° |
| C4 | C6 | C8 | HD2 | 180.0° | 179.9° |
| C4 | C6 | C8 | C9 | 0.1° | 0.0° |
| C4 | C6 | C8 | HE2 | 180.0° | 180.0° |
| C5 | C7 | C9 | HE1 | 180.0° | 180.0° |
| C5 | C7 | C9 | C8 | 0.2° | 0.2° |
| C5 | C7 | C9 | HZ | 179.8° | 180.0° |
| HD1 | C5 | C7 | C9 | 179.7° | 180.0° |
| HD1 | C5 | C7 | HE1 | 0.3° | 0.0° |
| C6 | C8 | C9 | C7 | 0.3° | 0.2° |
| C6 | C8 | C9 | HE2 | 180.0° | 180.0° |
| C6 | C8 | C9 | HZ | 179.7° | 180.0° |
| HD2 | C6 | C8 | C9 | 180.0° | 180.0° |
| HD2 | C6 | C8 | HE2 | 0.0° | 0.1° |
| C7 | C9 | C8 | HZ | 180.0° | 179.8° |
| C7 | C9 | C8 | HE2 | 179.7° | 179.8° |
| HE1 | C7 | C9 | C8 | 179.8° | 179.8° |
| HE1 | C7 | C9 | HZ | 0.2° | 0.0° |
| HE2 | C8 | C9 | HZ | 0.3° | 0.0° |
