PN7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| O4 | C4 | doub | 1.21Å | 1.21Å | |
| CE2 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | N5 | sing | 1.35Å | 1.31Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O3P | sing | 1.43Å | 1.43Å | |
| N5 | C6 | sing | 1.47Å | 1.49Å | |
| C2 | CE1 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| O2P | P | doub | 1.48Å | 1.48Å | |
| O1P | P | sing | 1.61Å | 1.48Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| P | O3P | sing | 1.61Å | 1.61Å | |
| O8 | C8 | doub | 1.21Å | 1.22Å | |
| C8 | N9 | sing | 1.35Å | 1.31Å | |
| N9 | C10 | sing | 1.47Å | 1.49Å | |
| S12 | C11 | sing | 1.81Å | 1.81Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| O1P | H4 | sing | 0.97Å | 0.95Å | |
| CE1 | H5 | sing | 1.09Å | 1.10Å | |
| CE1 | H6 | sing | 1.09Å | 1.10Å | |
| CE1 | H7 | sing | 1.09Å | 1.10Å | |
| CE2 | H8 | sing | 1.09Å | 1.10Å | |
| CE2 | H9 | sing | 1.09Å | 1.10Å | |
| CE2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| N5 | H12 | sing | 0.97Å | 1.00Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| N9 | H17 | sing | 0.97Å | 1.00Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| S12 | H22 | sing | 1.35Å | 1.30Å | |
| P | O4P | sing | 1.61Å | 14.23Å | |
| O4P | H23 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 109.2° | 109.5° |
| O3 | C3 | C2 | 109.3° | 109.4° |
| C3 | O3 | H1 | 109.5° | 114.0° |
| O3 | C3 | H11 | 110.5° | 109.5° |
| C4 | C3 | C2 | 109.7° | 109.5° |
| C3 | C4 | O4 | 120.9° | 120.0° |
| C3 | C4 | N5 | 117.2° | 120.0° |
| C4 | C3 | H11 | 109.1° | 109.5° |
| C3 | C2 | CE2 | 109.3° | 109.4° |
| C3 | C2 | C1 | 109.5° | 109.5° |
| C3 | C2 | CE1 | 109.5° | 109.5° |
| C2 | C3 | H11 | 109.0° | 109.5° |
| O4 | C4 | N5 | 121.1° | 120.0° |
| CE2 | C2 | C1 | 109.6° | 109.4° |
| CE2 | C2 | CE1 | 109.3° | 109.4° |
| C2 | CE2 | H8 | 109.5° | 109.5° |
| C2 | CE2 | H9 | 109.5° | 109.5° |
| C2 | CE2 | H10 | 109.5° | 109.5° |
| C4 | N5 | C6 | 119.9° | 120.0° |
| C4 | N5 | H12 | 120.1° | 120.0° |
| C2 | C1 | O3P | 109.6° | 109.5° |
| C1 | C2 | CE1 | 109.6° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | O3P | P | 107.3° | 123.0° |
| O3P | C1 | H2 | 109.4° | 109.5° |
| O3P | C1 | H3 | 109.4° | 109.5° |
| N5 | C6 | C7 | 109.6° | 109.5° |
| C6 | N5 | H12 | 120.1° | 120.0° |
| N5 | C6 | H13 | 109.5° | 109.5° |
| N5 | C6 | H14 | 109.4° | 109.5° |
| C2 | CE1 | H5 | 109.5° | 109.5° |
| C2 | CE1 | H6 | 109.5° | 109.5° |
| C2 | CE1 | H7 | 109.5° | 109.5° |
| C6 | C7 | C8 | 109.6° | 109.5° |
| C7 | C6 | H13 | 109.4° | 109.5° |
| C7 | C6 | H14 | 109.5° | 109.5° |
| C6 | C7 | H15 | 109.5° | 109.5° |
| C6 | C7 | H16 | 109.4° | 109.5° |
| O2P | P | O1P | 119.9° | 109.5° |
| O2P | P | O3P | 108.3° | 109.5° |
| O2P | P | O4P | 113.4° | 109.5° |
| O1P | P | O3P | 108.2° | 109.5° |
| P | O1P | H4 | 109.5° | 114.0° |
| O1P | P | O4P | 123.5° | 109.5° |
| C7 | C8 | O8 | 121.3° | 120.0° |
| C7 | C8 | N9 | 117.4° | 120.0° |
| C8 | C7 | H15 | 109.4° | 109.5° |
| C8 | C7 | H16 | 109.5° | 109.4° |
| O3P | P | O4P | 33.6° | 109.5° |
| O8 | C8 | N9 | 121.2° | 120.0° |
| C8 | N9 | C10 | 120.0° | 120.0° |
| C8 | N9 | H17 | 120.0° | 120.0° |
| N9 | C10 | C11 | 109.5° | 109.4° |
| C10 | N9 | H17 | 120.0° | 120.0° |
| N9 | C10 | H18 | 109.5° | 109.4° |
| N9 | C10 | H19 | 109.5° | 109.5° |
| S12 | C11 | C10 | 109.5° | 109.4° |
| S12 | C11 | H20 | 109.5° | 109.5° |
| S12 | C11 | H21 | 109.5° | 109.4° |
| C11 | S12 | H22 | 102.0° | 103.0° |
| C11 | C10 | H18 | 109.5° | 109.5° |
| C11 | C10 | H19 | 109.5° | 109.5° |
| C10 | C11 | H20 | 109.5° | 109.5° |
| C10 | C11 | H21 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H5 | CE1 | H6 | 109.4° | 109.5° |
| H5 | CE1 | H7 | 109.5° | 109.4° |
| H6 | CE1 | H7 | 109.5° | 109.5° |
| H8 | CE2 | H9 | 109.5° | 109.4° |
| H8 | CE2 | H10 | 109.4° | 109.5° |
| H9 | CE2 | H10 | 109.4° | 109.5° |
| H13 | C6 | H14 | 109.5° | 109.4° |
| H15 | C7 | H16 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| P | O4P | H23 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | C2 | 119.7° | 120.0° |
| O3 | C3 | C4 | H11 | 120.9° | 120.0° |
| O3 | C3 | C2 | H11 | 120.9° | 120.0° |
| O3 | C3 | C4 | O4 | 48.5° | 12.2° |
| O3 | C3 | C2 | CE2 | 59.5° | 174.5° |
| O3 | C3 | C4 | N5 | 121.7° | 167.8° |
| O3 | C3 | C2 | C1 | 60.6° | 65.6° |
| O3 | C3 | C2 | CE1 | 179.2° | 54.5° |
| C4 | C3 | C2 | H11 | 119.4° | 120.0° |
| C3 | C4 | O4 | N5 | 169.8° | 180.0° |
| C4 | C3 | C2 | CE2 | 179.2° | 65.6° |
| C4 | C3 | C2 | C1 | 59.1° | 54.4° |
| C3 | C4 | N5 | C6 | 162.0° | 174.9° |
| C4 | C3 | C2 | CE1 | 61.1° | 174.5° |
| C4 | C3 | O3 | H1 | 19.1° | 60.0° |
| C3 | C4 | N5 | H12 | 18.0° | 5.1° |
| C2 | C3 | C4 | O4 | 71.2° | 107.8° |
| C3 | C2 | CE2 | C1 | 120.0° | 120.0° |
| C3 | C2 | CE2 | CE1 | 119.8° | 120.0° |
| C2 | C3 | C4 | N5 | 118.6° | 72.2° |
| C3 | C2 | C1 | CE1 | 120.1° | 120.1° |
| C3 | C2 | C1 | O3P | 102.0° | 180.0° |
| C2 | C3 | O3 | H1 | 101.0° | 60.0° |
| C3 | C2 | C1 | H2 | 138.0° | 60.0° |
| C3 | C2 | C1 | H3 | 18.0° | 59.9° |
| C3 | C2 | CE1 | H5 | 180.0° | 177.1° |
| C3 | C2 | CE1 | H6 | 60.0° | 62.9° |
| C3 | C2 | CE1 | H7 | 60.0° | 57.1° |
| C3 | C2 | CE2 | H8 | 180.0° | 172.8° |
| C3 | C2 | CE2 | H9 | 60.0° | 67.2° |
| C3 | C2 | CE2 | H10 | 60.0° | 52.8° |
| O4 | C4 | N5 | C6 | 8.2° | 5.1° |
| O4 | C4 | C3 | H11 | 169.4° | 132.2° |
| O4 | C4 | N5 | H12 | 171.8° | 174.9° |
| CE2 | C2 | C1 | CE1 | 120.0° | 119.9° |
| CE2 | C2 | C1 | O3P | 138.1° | 60.0° |
| CE2 | C2 | C1 | H2 | 18.1° | 180.0° |
| CE2 | C2 | C1 | H3 | 101.9° | 60.1° |
| CE2 | C2 | CE1 | H5 | 60.4° | 63.0° |
| CE2 | C2 | CE1 | H6 | 179.7° | 57.1° |
| CE2 | C2 | CE1 | H7 | 59.6° | 177.1° |
| C2 | CE2 | H8 | H9 | 120.0° | 120.0° |
| C2 | CE2 | H8 | H10 | 120.0° | 120.0° |
| C2 | CE2 | H9 | H10 | 120.0° | 120.0° |
| CE2 | C2 | C3 | H11 | 61.4° | 54.5° |
| C4 | N5 | C6 | H12 | 180.0° | 180.0° |
| C4 | N5 | C6 | C7 | 45.8° | 180.0° |
| N5 | C4 | C3 | H11 | 0.8° | 47.8° |
| C4 | N5 | C6 | H13 | 74.3° | 60.0° |
| C4 | N5 | C6 | H14 | 165.8° | 60.0° |
| C2 | C1 | O3P | H2 | 120.0° | 120.0° |
| C2 | C1 | O3P | H3 | 120.0° | 120.1° |
| C2 | C1 | O3P | P | 159.6° | 180.0° |
| C2 | C1 | H2 | H3 | 119.9° | 120.0° |
| C1 | C2 | CE1 | H5 | 59.8° | 57.0° |
| C1 | C2 | CE1 | H6 | 60.1° | 177.0° |
| C1 | C2 | CE1 | H7 | 179.8° | 63.0° |
| C1 | C2 | CE2 | H8 | 60.0° | 67.1° |
| C1 | C2 | CE2 | H9 | 180.0° | 52.8° |
| C1 | C2 | CE2 | H10 | 60.0° | 172.8° |
| C1 | C2 | C3 | H11 | 178.5° | 174.5° |
| O3P | C1 | C2 | CE1 | 18.1° | 59.9° |
| C1 | O3P | P | O2P | 82.3° | 55.0° |
| C1 | O3P | P | O1P | 49.0° | 175.0° |
| O3P | C1 | H2 | H3 | 119.9° | 120.0° |
| C1 | O3P | P | O4P | 172.8° | 65.0° |
| N5 | C6 | C7 | H13 | 120.0° | 120.0° |
| N5 | C6 | C7 | H14 | 120.0° | 120.0° |
| N5 | C6 | C7 | C8 | 146.9° | 180.0° |
| N5 | C6 | H13 | H14 | 120.0° | 120.0° |
| N5 | C6 | C7 | H15 | 26.9° | 60.0° |
| N5 | C6 | C7 | H16 | 93.0° | 60.0° |
| CE1 | C2 | C1 | H2 | 101.9° | 60.0° |
| CE1 | C2 | C1 | H3 | 138.1° | 180.0° |
| C2 | CE1 | H5 | H6 | 120.0° | 120.0° |
| C2 | CE1 | H5 | H7 | 120.0° | 120.0° |
| C2 | CE1 | H6 | H7 | 120.0° | 120.0° |
| CE1 | C2 | CE2 | H8 | 60.2° | 52.8° |
| CE1 | C2 | CE2 | H9 | 59.8° | 172.8° |
| CE1 | C2 | CE2 | H10 | 179.8° | 67.2° |
| CE1 | C2 | C3 | H11 | 58.3° | 65.5° |
| C6 | C7 | C8 | H15 | 120.0° | 120.0° |
| C6 | C7 | C8 | H16 | 120.0° | 120.0° |
| C6 | C7 | C8 | O8 | 51.0° | 0.0° |
| C6 | C7 | C8 | N9 | 125.3° | 180.0° |
| C7 | C6 | N5 | H12 | 134.2° | 0.0° |
| C7 | C6 | H13 | H14 | 120.0° | 120.0° |
| C6 | C7 | H15 | H16 | 119.9° | 120.0° |
| O2P | P | O1P | O3P | 124.7° | 120.0° |
| O2P | P | O1P | O4P | 158.3° | 120.0° |
| O2P | P | O3P | O4P | 104.9° | 120.0° |
| O2P | P | O1P | H4 | 0.0° | 60.0° |
| O2P | P | O4P | H23 | 90.0° | 180.0° |
| O1P | P | O3P | O4P | 123.8° | 120.0° |
| O1P | P | O4P | H23 | 90.0° | 60.0° |
| C7 | C8 | O8 | N9 | 176.2° | 180.0° |
| C7 | C8 | N9 | C10 | 61.9° | 180.0° |
| C8 | C7 | C6 | H13 | 93.0° | 60.0° |
| C8 | C7 | C6 | H14 | 26.9° | 60.0° |
| C8 | C7 | H15 | H16 | 120.0° | 120.0° |
| C7 | C8 | N9 | H17 | 118.1° | 0.0° |
| P | O3P | C1 | H2 | 80.3° | 60.0° |
| P | O3P | C1 | H3 | 39.6° | 59.9° |
| O3P | P | O1P | H4 | 124.7° | 180.0° |
| O3P | P | O4P | H23 | 90.0° | 60.0° |
| O8 | C8 | N9 | C10 | 121.8° | 0.0° |
| O8 | C8 | C7 | H15 | 171.0° | 120.0° |
| O8 | C8 | C7 | H16 | 69.0° | 120.0° |
| O8 | C8 | N9 | H17 | 58.2° | 180.0° |
| C8 | N9 | C10 | H17 | 180.0° | 180.0° |
| C8 | N9 | C10 | C11 | 94.4° | 180.0° |
| N9 | C8 | C7 | H15 | 5.3° | 60.0° |
| N9 | C8 | C7 | H16 | 114.7° | 60.0° |
| C8 | N9 | C10 | H18 | 145.6° | 60.0° |
| C8 | N9 | C10 | H19 | 25.6° | 60.0° |
| N9 | C10 | C11 | S12 | 5.9° | 180.0° |
| N9 | C10 | C11 | H18 | 120.0° | 120.0° |
| N9 | C10 | C11 | H19 | 120.0° | 120.0° |
| N9 | C10 | H18 | H19 | 120.0° | 120.0° |
| N9 | C10 | C11 | H20 | 125.9° | 60.0° |
| N9 | C10 | C11 | H21 | 114.1° | 60.1° |
| S12 | C11 | C10 | H20 | 120.0° | 120.0° |
| S12 | C11 | C10 | H21 | 120.0° | 119.9° |
| S12 | C11 | C10 | H18 | 126.0° | 60.0° |
| S12 | C11 | C10 | H19 | 114.0° | 60.0° |
| S12 | C11 | H20 | H21 | 120.0° | 120.0° |
| C11 | C10 | N9 | H17 | 85.6° | 0.0° |
| C11 | C10 | H18 | H19 | 120.0° | 120.1° |
| C10 | C11 | H20 | H21 | 120.0° | 120.0° |
| C10 | C11 | S12 | H22 | 180.0° | 180.0° |
| H1 | O3 | C3 | H11 | 139.1° | 180.0° |
| H4 | O1P | P | O4P | 158.3° | 60.0° |
| H5 | CE1 | H6 | H7 | 120.0° | 120.0° |
| H8 | CE2 | H9 | H10 | 119.9° | 120.0° |
| H12 | N5 | C6 | H13 | 105.8° | 120.0° |
| H12 | N5 | C6 | H14 | 14.2° | 120.0° |
| H13 | C6 | C7 | H15 | 146.9° | 180.0° |
| H13 | C6 | C7 | H16 | 27.0° | 60.0° |
| H14 | C6 | C7 | H15 | 93.1° | 60.0° |
| H14 | C6 | C7 | H16 | 147.0° | 180.0° |
| H17 | N9 | C10 | H18 | 34.4° | 120.0° |
| H17 | N9 | C10 | H19 | 154.4° | 120.0° |
| H18 | C10 | C11 | H20 | 114.1° | 180.0° |
| H18 | C10 | C11 | H21 | 6.0° | 59.9° |
| H19 | C10 | C11 | H20 | 5.9° | 60.0° |
| H19 | C10 | C11 | H21 | 125.9° | 180.0° |
| H20 | C11 | S12 | H22 | 60.0° | 60.0° |
| H21 | C11 | S12 | H22 | 60.0° | 60.1° |
