P4M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N15 | sing | 1.46Å | 1.46Å | |
| O14 | C13 | doub | 1.21Å | 1.21Å | |
| N15 | C13 | sing | 1.34Å | 1.34Å | |
| N15 | C20 | sing | 1.37Å | 1.41Å | |
| C13 | C10 | sing | 1.50Å | 1.51Å | |
| C20 | C22 | doub | 1.31Å | 1.33Å | |
| C10 | C09 | sing | 1.51Å | 1.51Å | |
| C22 | C24 | sing | 1.47Å | 1.46Å | |
| C09 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| C09 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C06 | O05 | sing | 1.36Å | 1.37Å | |
| C27 | O28 | sing | 1.36Å | 1.37Å | |
| C01 | O05 | sing | 1.43Å | 1.43Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N15 | C13 | 117.6° | 118.0° |
| C16 | N15 | C20 | 113.2° | 118.0° |
| N15 | C16 | H9 | 109.5° | 109.5° |
| N15 | C16 | H10 | 109.5° | 109.5° |
| N15 | C16 | H11 | 109.4° | 109.5° |
| O14 | C13 | N15 | 123.2° | 119.2° |
| O14 | C13 | C10 | 120.7° | 119.3° |
| C13 | N15 | C20 | 129.2° | 124.1° |
| N15 | C13 | C10 | 116.0° | 121.5° |
| N15 | C20 | C22 | 122.7° | 126.7° |
| N15 | C20 | H3 | 118.7° | 116.6° |
| C13 | C10 | C09 | 108.7° | 109.7° |
| C13 | C10 | H1 | 109.7° | 109.4° |
| C13 | C10 | H2 | 109.7° | 109.4° |
| C20 | C22 | C24 | 127.3° | 125.7° |
| C22 | C20 | H3 | 118.7° | 116.7° |
| C20 | C22 | H4 | 116.4° | 117.1° |
| C10 | C09 | C24 | 119.8° | 120.6° |
| C10 | C09 | C07 | 120.2° | 119.3° |
| C09 | C10 | H1 | 109.7° | 109.5° |
| C09 | C10 | H2 | 109.7° | 109.4° |
| C22 | C24 | C09 | 121.4° | 121.3° |
| C22 | C24 | C25 | 119.6° | 119.1° |
| C24 | C22 | H4 | 116.3° | 117.2° |
| C24 | C09 | C07 | 119.9° | 120.1° |
| C09 | C24 | C25 | 119.0° | 119.6° |
| C09 | C07 | C06 | 120.8° | 120.3° |
| C09 | C07 | H8 | 119.6° | 119.9° |
| C24 | C25 | C27 | 120.8° | 120.0° |
| C24 | C25 | H12 | 119.6° | 120.0° |
| C07 | C06 | C27 | 119.7° | 120.0° |
| C07 | C06 | O05 | 125.0° | 120.0° |
| C06 | C07 | H8 | 119.6° | 119.9° |
| C25 | C27 | C06 | 119.8° | 120.0° |
| C25 | C27 | O28 | 124.6° | 120.0° |
| C27 | C25 | H12 | 119.6° | 120.0° |
| C27 | C06 | O05 | 115.3° | 120.0° |
| C06 | C27 | O28 | 115.6° | 120.0° |
| C06 | O05 | C01 | 118.5° | 117.0° |
| C27 | O28 | C29 | 117.5° | 117.0° |
| O05 | C01 | H5 | 109.5° | 109.4° |
| O05 | C01 | H6 | 109.5° | 109.5° |
| O05 | C01 | H7 | 109.5° | 109.5° |
| O28 | C29 | H13 | 109.5° | 109.4° |
| O28 | C29 | H14 | 109.5° | 109.5° |
| O28 | C29 | H15 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H9 | C16 | H11 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.4° | 109.5° |
| H13 | C29 | H14 | 109.5° | 109.4° |
| H13 | C29 | H15 | 109.4° | 109.5° |
| H14 | C29 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N15 | C13 | O14 | 1.4° | 2.2° |
| C16 | N15 | C13 | C20 | 178.0° | 180.0° |
| C16 | N15 | C13 | C10 | 179.2° | 177.8° |
| C16 | N15 | C20 | C22 | 137.8° | 137.5° |
| C16 | N15 | C20 | H3 | 42.2° | 42.4° |
| N15 | C16 | H9 | H10 | 120.0° | 120.0° |
| N15 | C16 | H9 | H11 | 120.0° | 120.0° |
| N15 | C16 | H10 | H11 | 120.0° | 120.0° |
| O14 | C13 | N15 | C10 | 177.9° | 180.0° |
| O14 | C13 | N15 | C20 | 179.3° | 177.8° |
| O14 | C13 | C10 | C09 | 112.6° | 117.0° |
| O14 | C13 | C10 | H1 | 7.3° | 122.9° |
| O14 | C13 | C10 | H2 | 127.5° | 3.0° |
| C13 | N15 | C20 | C22 | 40.2° | 42.5° |
| N15 | C13 | C10 | C09 | 69.5° | 63.0° |
| N15 | C13 | C10 | H1 | 170.6° | 57.1° |
| N15 | C13 | C10 | H2 | 50.4° | 177.0° |
| C13 | N15 | C20 | H3 | 139.8° | 137.6° |
| C13 | N15 | C16 | H9 | 180.0° | 90.0° |
| C13 | N15 | C16 | H10 | 60.0° | 150.0° |
| C13 | N15 | C16 | H11 | 60.0° | 30.0° |
| C20 | N15 | C13 | C10 | 2.8° | 2.2° |
| N15 | C20 | C22 | H3 | 180.0° | 179.9° |
| N15 | C20 | C22 | C24 | 1.5° | 0.9° |
| N15 | C20 | C22 | H4 | 178.5° | 179.1° |
| C20 | N15 | C16 | H9 | 1.7° | 90.0° |
| C20 | N15 | C16 | H10 | 121.7° | 30.0° |
| C20 | N15 | C16 | H11 | 118.3° | 150.0° |
| C13 | C10 | C09 | H1 | 119.9° | 120.1° |
| C13 | C10 | C09 | H2 | 119.9° | 120.0° |
| C13 | C10 | C09 | C24 | 67.1° | 61.9° |
| C13 | C10 | C09 | C07 | 114.4° | 118.0° |
| C13 | C10 | H1 | H2 | 120.4° | 119.9° |
| C20 | C22 | C24 | H4 | 180.0° | 180.0° |
| C20 | C22 | C24 | C09 | 37.1° | 39.8° |
| C20 | C22 | C24 | C25 | 142.2° | 140.3° |
| C10 | C09 | C24 | C22 | 1.3° | 0.6° |
| C10 | C09 | C24 | C07 | 178.5° | 179.9° |
| C10 | C09 | C24 | C25 | 179.4° | 179.5° |
| C10 | C09 | C07 | C06 | 179.2° | 179.7° |
| C09 | C10 | H1 | H2 | 120.4° | 120.0° |
| C10 | C09 | C07 | H8 | 0.8° | 0.4° |
| C22 | C24 | C09 | C25 | 179.3° | 179.9° |
| C22 | C24 | C09 | C07 | 179.8° | 179.5° |
| C22 | C24 | C25 | C27 | 180.0° | 179.6° |
| C24 | C22 | C20 | H3 | 178.5° | 179.2° |
| C22 | C24 | C25 | H12 | 0.1° | 0.5° |
| C24 | C09 | C07 | C06 | 0.7° | 0.2° |
| C09 | C24 | C25 | C27 | 0.7° | 0.3° |
| C24 | C09 | C10 | H1 | 173.0° | 58.2° |
| C24 | C09 | C10 | H2 | 52.8° | 178.2° |
| C09 | C24 | C22 | H4 | 142.9° | 140.2° |
| C24 | C09 | C07 | H8 | 179.3° | 179.7° |
| C09 | C24 | C25 | H12 | 179.3° | 179.6° |
| C07 | C09 | C24 | C25 | 0.9° | 0.4° |
| C09 | C07 | C06 | H8 | 180.0° | 180.0° |
| C09 | C07 | C06 | C27 | 0.3° | 0.1° |
| C09 | C07 | C06 | O05 | 179.6° | 179.9° |
| C07 | C09 | C10 | H1 | 5.5° | 121.9° |
| C07 | C09 | C10 | H2 | 125.7° | 2.0° |
| C24 | C25 | C27 | H12 | 180.0° | 179.9° |
| C24 | C25 | C27 | C06 | 0.3° | 0.0° |
| C24 | C25 | C27 | O28 | 180.0° | 180.0° |
| C25 | C24 | C22 | H4 | 37.8° | 39.7° |
| C07 | C06 | C27 | C25 | 0.1° | 0.2° |
| C07 | C06 | C27 | O05 | 179.9° | 180.0° |
| C07 | C06 | C27 | O28 | 179.8° | 179.8° |
| C07 | C06 | O05 | C01 | 0.7° | 0.1° |
| C25 | C27 | C06 | O28 | 179.8° | 180.0° |
| C25 | C27 | C06 | O05 | 179.9° | 179.8° |
| C25 | C27 | O28 | C29 | 50.8° | 0.0° |
| C27 | C06 | O05 | C01 | 179.3° | 180.0° |
| C06 | C27 | O28 | C29 | 129.5° | 180.0° |
| C27 | C06 | C07 | H8 | 179.7° | 179.9° |
| C06 | C27 | C25 | H12 | 179.7° | 179.9° |
| O05 | C06 | C27 | O28 | 0.1° | 0.1° |
| C06 | O05 | C01 | H5 | 180.0° | 60.1° |
| C06 | O05 | C01 | H6 | 60.0° | 180.0° |
| C06 | O05 | C01 | H7 | 60.0° | 59.9° |
| O05 | C06 | C07 | H8 | 0.4° | 0.0° |
| O28 | C27 | C25 | H12 | 0.0° | 0.1° |
| C27 | O28 | C29 | H13 | 180.0° | 60.0° |
| C27 | O28 | C29 | H14 | 60.0° | 60.0° |
| C27 | O28 | C29 | H15 | 60.0° | 180.0° |
| O05 | C01 | H5 | H6 | 120.0° | 120.0° |
| O05 | C01 | H5 | H7 | 120.0° | 120.0° |
| O05 | C01 | H6 | H7 | 120.0° | 120.1° |
| O28 | C29 | H13 | H14 | 120.0° | 120.0° |
| O28 | C29 | H13 | H15 | 120.0° | 120.0° |
| O28 | C29 | H14 | H15 | 120.0° | 120.0° |
| H3 | C20 | C22 | H4 | 1.5° | 0.8° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H9 | C16 | H10 | H11 | 120.0° | 120.0° |
| H13 | C29 | H14 | H15 | 120.0° | 120.0° |
