P0C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C11 | doub | 1.22Å | 1.24Å | |
| C11 | N12 | sing | 1.33Å | 1.35Å | |
| C11 | N10 | sing | 1.34Å | 1.40Å | |
| N12 | C13 | doub | 1.33Å | 1.34Å | |
| O09 | C08 | sing | 1.43Å | 1.41Å | |
| C08 | C07 | sing | 1.55Å | 1.53Å | |
| C08 | C02 | sing | 1.55Å | 1.51Å | |
| C13 | N18 | sing | 1.36Å | 1.37Å | |
| C13 | C14 | sing | 1.42Å | 1.42Å | |
| N10 | C07 | sing | 1.47Å | 1.47Å | |
| N10 | C19 | sing | 1.35Å | 1.37Å | |
| C07 | O06 | sing | 1.44Å | 1.42Å | |
| N18 | C16 | sing | 1.38Å | 1.37Å | |
| O06 | C03 | sing | 1.44Å | 1.46Å | |
| C19 | C14 | doub | 1.38Å | 1.34Å | |
| C14 | C15 | sing | 1.47Å | 1.41Å | |
| C02 | O01 | sing | 1.43Å | 1.42Å | |
| C02 | C03 | sing | 1.54Å | 1.52Å | |
| C16 | C15 | doub | 1.34Å | 1.40Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.51Å | |
| C04 | O05 | sing | 1.43Å | 1.44Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| O01 | H4 | sing | 0.97Å | 0.95Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| O05 | H9 | sing | 0.97Å | 0.95Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| O09 | H12 | sing | 0.97Å | 0.95Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| N18 | H15 | sing | 0.97Å | 1.00Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C11 | N12 | 119.1° | 119.0° |
| O20 | C11 | N10 | 120.8° | 119.0° |
| N12 | C11 | N10 | 120.0° | 122.0° |
| C11 | N12 | C13 | 120.6° | 120.7° |
| C11 | N10 | C07 | 121.1° | 119.7° |
| C11 | N10 | C19 | 119.6° | 120.6° |
| N12 | C13 | N18 | 132.8° | 134.0° |
| N12 | C13 | C14 | 119.8° | 119.0° |
| O09 | C08 | C07 | 113.3° | 110.9° |
| O09 | C08 | C02 | 109.7° | 110.9° |
| O09 | C08 | H11 | 111.1° | 110.8° |
| C08 | O09 | H12 | 109.5° | 114.0° |
| C07 | C08 | C02 | 103.4° | 102.1° |
| C08 | C07 | N10 | 114.0° | 110.7° |
| C08 | C07 | O06 | 107.1° | 103.5° |
| C08 | C07 | H10 | 107.5° | 110.6° |
| C07 | C08 | H11 | 109.4° | 111.0° |
| C08 | C02 | O01 | 110.6° | 110.5° |
| C08 | C02 | C03 | 102.7° | 104.2° |
| C08 | C02 | H5 | 109.7° | 110.6° |
| C02 | C08 | H11 | 109.6° | 110.9° |
| N18 | C13 | C14 | 107.4° | 107.0° |
| C13 | N18 | C16 | 110.2° | 110.2° |
| C13 | N18 | H15 | 124.9° | 124.9° |
| C13 | C14 | C19 | 119.8° | 119.2° |
| C13 | C14 | C15 | 107.0° | 105.9° |
| C07 | N10 | C19 | 119.3° | 119.7° |
| N10 | C07 | O06 | 111.3° | 110.6° |
| N10 | C07 | H10 | 108.1° | 110.6° |
| N10 | C19 | C14 | 120.1° | 118.6° |
| N10 | C19 | H16 | 120.0° | 120.7° |
| C07 | O06 | C03 | 109.5° | 107.0° |
| O06 | C07 | H10 | 108.8° | 110.6° |
| N18 | C16 | C15 | 107.6° | 110.1° |
| N18 | C16 | C17 | 126.2° | 124.9° |
| C16 | N18 | H15 | 124.9° | 124.9° |
| O06 | C03 | C02 | 106.4° | 107.3° |
| O06 | C03 | C04 | 111.7° | 109.9° |
| O06 | C03 | H6 | 108.4° | 110.0° |
| C19 | C14 | C15 | 133.2° | 134.9° |
| C14 | C19 | H16 | 119.9° | 120.7° |
| C14 | C15 | C16 | 107.8° | 106.8° |
| C14 | C15 | H14 | 126.1° | 126.6° |
| O01 | C02 | C03 | 112.9° | 110.5° |
| C02 | O01 | H4 | 109.5° | 114.0° |
| O01 | C02 | H5 | 111.0° | 110.4° |
| C02 | C03 | C04 | 114.6° | 109.9° |
| C03 | C02 | H5 | 109.6° | 110.5° |
| C02 | C03 | H6 | 107.7° | 109.9° |
| C15 | C16 | C17 | 126.2° | 125.0° |
| C16 | C15 | H14 | 126.1° | 126.6° |
| C16 | C17 | H1 | 109.5° | 109.5° |
| C16 | C17 | H2 | 109.5° | 109.5° |
| C16 | C17 | H3 | 109.5° | 109.5° |
| C03 | C04 | O05 | 117.0° | 109.5° |
| C04 | C03 | H6 | 107.8° | 109.9° |
| C03 | C04 | H7 | 107.5° | 109.5° |
| C03 | C04 | H8 | 107.6° | 109.5° |
| O05 | C04 | H7 | 107.6° | 109.5° |
| O05 | C04 | H8 | 107.6° | 109.4° |
| C04 | O05 | H9 | 109.5° | 114.0° |
| H1 | C17 | H2 | 109.4° | 109.5° |
| H1 | C17 | H3 | 109.5° | 109.4° |
| H2 | C17 | H3 | 109.5° | 109.4° |
| H7 | C04 | H8 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C11 | N12 | N10 | 179.9° | 179.5° |
| O20 | C11 | N12 | C13 | 180.0° | 180.0° |
| O20 | C11 | N10 | C07 | 0.2° | 0.1° |
| O20 | C11 | N10 | C19 | 179.9° | 179.9° |
| C11 | N12 | C13 | N18 | 179.8° | 179.9° |
| C11 | N12 | C13 | C14 | 0.2° | 0.2° |
| N12 | C11 | N10 | C07 | 179.7° | 179.6° |
| N12 | C11 | N10 | C19 | 0.1° | 0.4° |
| N10 | C11 | N12 | C13 | 0.1° | 0.5° |
| C11 | N10 | C07 | C08 | 79.2° | 60.5° |
| C11 | N10 | C07 | C19 | 179.7° | 180.0° |
| C11 | N10 | C07 | O06 | 159.6° | 53.6° |
| C11 | N10 | C19 | C14 | 0.1° | 0.0° |
| C11 | N10 | C07 | H10 | 40.2° | 176.5° |
| C11 | N10 | C19 | H16 | 179.9° | 180.0° |
| N12 | C13 | N18 | C14 | 180.0° | 179.9° |
| N12 | C13 | N18 | C16 | 179.8° | 180.0° |
| N12 | C13 | C14 | C19 | 0.1° | 0.2° |
| N12 | C13 | C14 | C15 | 179.9° | 180.0° |
| N12 | C13 | N18 | H15 | 0.2° | 0.1° |
| O09 | C08 | C07 | C02 | 118.6° | 118.2° |
| O09 | C08 | C07 | H11 | 124.6° | 123.6° |
| O09 | C08 | C02 | H11 | 122.3° | 123.6° |
| O09 | C08 | C07 | N10 | 144.3° | 86.2° |
| O09 | C08 | C07 | O06 | 92.2° | 155.2° |
| O09 | C08 | C02 | O01 | 32.1° | 20.4° |
| O09 | C08 | C02 | C03 | 88.6° | 139.1° |
| O09 | C08 | C02 | H5 | 155.0° | 102.2° |
| O09 | C08 | C07 | H10 | 24.5° | 36.7° |
| C07 | C08 | C02 | H11 | 116.6° | 118.2° |
| C08 | C07 | N10 | O06 | 121.2° | 114.1° |
| C08 | C07 | N10 | H10 | 119.4° | 123.0° |
| C08 | C07 | N10 | C19 | 100.5° | 119.4° |
| C08 | C07 | O06 | H10 | 115.9° | 118.5° |
| C08 | C07 | O06 | C03 | 9.0° | 40.1° |
| C07 | C08 | C02 | O01 | 153.2° | 97.8° |
| C07 | C08 | C02 | C03 | 32.5° | 20.9° |
| C07 | C08 | C02 | H5 | 83.9° | 139.6° |
| C07 | C08 | O09 | H12 | 180.0° | 180.0° |
| C02 | C08 | C07 | N10 | 97.1° | 155.6° |
| C02 | C08 | C07 | O06 | 26.4° | 37.0° |
| C08 | C02 | C03 | O06 | 28.1° | 2.0° |
| C08 | C02 | O01 | C03 | 114.4° | 114.8° |
| C08 | C02 | O01 | H5 | 122.1° | 122.7° |
| C08 | C02 | C03 | H5 | 116.6° | 118.8° |
| C08 | C02 | C03 | C04 | 152.1° | 121.5° |
| C08 | C02 | O01 | H4 | 180.0° | 176.1° |
| C08 | C02 | C03 | H6 | 88.0° | 117.6° |
| C02 | C08 | C07 | H10 | 143.2° | 81.5° |
| C02 | C08 | O09 | H12 | 65.1° | 67.2° |
| C13 | N18 | C16 | H15 | 180.0° | 179.9° |
| N18 | C13 | C14 | C19 | 179.9° | 179.7° |
| N18 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | N18 | C16 | C15 | 0.2° | 0.0° |
| C13 | N18 | C16 | C17 | 179.8° | 180.0° |
| C13 | C14 | C19 | N10 | 0.1° | 0.3° |
| C14 | C13 | N18 | C16 | 0.2° | 0.0° |
| C13 | C14 | C19 | C15 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H14 | 179.9° | 180.0° |
| C14 | C13 | N18 | H15 | 179.8° | 180.0° |
| C13 | C14 | C19 | H16 | 179.9° | 179.7° |
| N10 | C07 | O06 | H10 | 119.0° | 122.9° |
| N10 | C07 | O06 | C03 | 116.2° | 158.7° |
| C07 | N10 | C19 | C14 | 179.8° | 180.0° |
| N10 | C07 | C08 | H11 | 19.7° | 37.4° |
| C07 | N10 | C19 | H16 | 0.2° | 0.0° |
| C19 | N10 | C07 | O06 | 20.7° | 126.5° |
| N10 | C19 | C14 | H16 | 180.0° | 180.0° |
| N10 | C19 | C14 | C15 | 179.9° | 180.0° |
| C19 | N10 | C07 | H10 | 140.1° | 3.5° |
| C07 | O06 | C03 | C02 | 12.2° | 26.5° |
| C07 | O06 | C03 | C04 | 137.9° | 146.0° |
| C07 | O06 | C03 | H6 | 103.4° | 93.0° |
| O06 | C07 | C08 | H11 | 143.2° | 81.1° |
| N18 | C16 | C15 | C14 | 0.2° | 0.0° |
| N18 | C16 | C15 | C17 | 180.0° | 180.0° |
| N18 | C16 | C17 | H1 | 180.0° | 90.0° |
| N18 | C16 | C17 | H2 | 60.0° | 30.1° |
| N18 | C16 | C17 | H3 | 60.0° | 150.0° |
| N18 | C16 | C15 | H14 | 179.8° | 180.0° |
| O06 | C03 | C02 | O01 | 147.2° | 120.7° |
| O06 | C03 | C02 | C04 | 124.0° | 119.4° |
| O06 | C03 | C02 | H6 | 116.1° | 119.6° |
| O06 | C03 | C04 | H6 | 119.0° | 121.2° |
| O06 | C03 | C04 | O05 | 81.8° | 67.1° |
| O06 | C03 | C02 | H5 | 88.4° | 116.8° |
| O06 | C03 | C04 | H7 | 39.3° | 172.8° |
| O06 | C03 | C04 | H8 | 157.1° | 52.8° |
| C03 | O06 | C07 | H10 | 124.8° | 78.4° |
| C19 | C14 | C15 | C16 | 180.0° | 179.7° |
| C19 | C14 | C15 | H14 | 0.0° | 0.4° |
| C14 | C15 | C16 | H14 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.8° | 180.0° |
| C15 | C14 | C19 | H16 | 0.1° | 0.1° |
| O01 | C02 | C03 | H5 | 124.3° | 122.5° |
| O01 | C02 | C03 | C04 | 88.8° | 119.9° |
| O01 | C02 | C03 | H6 | 31.1° | 1.1° |
| O01 | C02 | C08 | H11 | 90.1° | 144.0° |
| C02 | C03 | C04 | H6 | 119.8° | 121.0° |
| C02 | C03 | C04 | O05 | 39.4° | 175.0° |
| C03 | C02 | O01 | H4 | 65.6° | 61.4° |
| C02 | C03 | C04 | H7 | 160.5° | 55.0° |
| C02 | C03 | C04 | H8 | 81.7° | 65.0° |
| C03 | C02 | C08 | H11 | 149.2° | 97.4° |
| C15 | C16 | C17 | H1 | 0.0° | 90.0° |
| C15 | C16 | C17 | H2 | 120.0° | 149.9° |
| C15 | C16 | C17 | H3 | 120.0° | 30.0° |
| C15 | C16 | N18 | H15 | 179.8° | 179.9° |
| C16 | C17 | H1 | H2 | 120.0° | 120.1° |
| C16 | C17 | H1 | H3 | 120.0° | 120.0° |
| C16 | C17 | H2 | H3 | 120.0° | 120.0° |
| C17 | C16 | C15 | H14 | 0.2° | 0.0° |
| C17 | C16 | N18 | H15 | 0.2° | 0.1° |
| C03 | C04 | O05 | H7 | 121.1° | 120.1° |
| C03 | C04 | O05 | H8 | 121.1° | 120.0° |
| C04 | C03 | C02 | H5 | 35.6° | 2.6° |
| C03 | C04 | H7 | H8 | 116.6° | 120.0° |
| C03 | C04 | O05 | H9 | 180.0° | 180.0° |
| O05 | C04 | C03 | H6 | 159.2° | 54.0° |
| O05 | C04 | H7 | H8 | 116.6° | 119.9° |
| H1 | C17 | H2 | H3 | 120.0° | 119.9° |
| H4 | O01 | C02 | H5 | 57.9° | 61.1° |
| H5 | C02 | C03 | H6 | 155.5° | 123.6° |
| H5 | C02 | C08 | H11 | 32.7° | 21.4° |
| H6 | C03 | C04 | H7 | 79.7° | 66.0° |
| H6 | C03 | C04 | H8 | 38.1° | 174.0° |
| H7 | C04 | O05 | H9 | 58.9° | 59.9° |
| H8 | C04 | O05 | H9 | 58.9° | 60.0° |
| H10 | C07 | C08 | H11 | 100.1° | 160.4° |
| H11 | C08 | O09 | H12 | 56.3° | 56.3° |
