P1C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O19 | doub | 1.21Å | 1.19Å | |
| C1 | O20 | sing | 1.34Å | 1.30Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | N14 | sing | 1.47Å | 1.46Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C4 | C7 | sing | 1.53Å | 1.55Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| C7 | C10 | sing | 1.51Å | 1.54Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C10 | N11 | sing | 1.35Å | 1.38Å | |
| C10 | O15 | doub | 1.21Å | 1.23Å | |
| N11 | C12 | sing | 1.47Å | 1.52Å | |
| N11 | H11 | sing | 0.97Å | 0.99Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | C16 | sing | 1.52Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | O18 | doub | 1.21Å | 1.23Å | |
| C13 | N29 | sing | 1.33Å | 1.44Å | |
| N14 | H141 | sing | 1.01Å | 1.03Å | |
| N14 | H142 | sing | 1.01Å | 1.03Å | |
| C16 | N29 | sing | 1.49Å | 1.50Å | |
| C16 | S | sing | 1.82Å | 1.82Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| N29 | C30 | sing | 1.40Å | 1.41Å | |
| C30 | C31 | sing | 1.47Å | 1.33Å | |
| C30 | C32 | doub | 1.33Å | 1.35Å | |
| C31 | O42 | sing | 1.35Å | 1.33Å | |
| C31 | O43 | doub | 1.21Å | 1.21Å | |
| C32 | C33 | sing | 1.51Å | 1.49Å | |
| C32 | C37 | sing | 1.49Å | 1.49Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C37 | S | sing | 1.80Å | 1.77Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| O42 | H421 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O19 | 123.3° | 120.0° |
| C2 | C1 | O20 | 122.9° | 120.0° |
| C1 | C2 | C3 | 113.0° | 109.5° |
| C1 | C2 | N14 | 112.3° | 109.5° |
| C1 | C2 | H2 | 103.9° | 109.5° |
| O19 | C1 | O20 | 112.7° | 120.0° |
| C1 | O20 | H20 | 122.9° | 120.0° |
| C3 | C2 | N14 | 106.1° | 109.5° |
| C3 | C2 | H2 | 110.4° | 109.5° |
| C2 | C3 | C4 | 112.8° | 109.5° |
| C2 | C3 | H3C1 | 108.6° | 109.5° |
| C2 | C3 | H3C2 | 107.5° | 109.5° |
| N14 | C2 | H2 | 111.1° | 109.5° |
| C2 | N14 | H141 | 109.5° | 106.7° |
| C2 | N14 | H142 | 109.4° | 106.7° |
| C4 | C3 | H3C1 | 108.6° | 109.4° |
| C4 | C3 | H3C2 | 107.5° | 109.5° |
| C3 | C4 | C7 | 117.7° | 109.6° |
| C3 | C4 | H4C1 | 107.4° | 109.5° |
| C3 | C4 | H4C2 | 104.7° | 109.5° |
| H3C1 | C3 | H3C2 | 111.8° | 109.4° |
| C7 | C4 | H4C1 | 107.4° | 109.5° |
| C7 | C4 | H4C2 | 104.7° | 109.4° |
| C4 | C7 | C10 | 119.4° | 109.6° |
| C4 | C7 | H7C1 | 107.0° | 109.5° |
| C4 | C7 | H7C2 | 103.6° | 109.4° |
| H4C1 | C4 | H4C2 | 115.5° | 109.4° |
| C10 | C7 | H7C1 | 106.9° | 109.5° |
| C10 | C7 | H7C2 | 103.6° | 109.4° |
| C7 | C10 | N11 | 114.4° | 120.1° |
| C7 | C10 | O15 | 118.6° | 120.0° |
| H7C1 | C7 | H7C2 | 116.9° | 109.5° |
| N11 | C10 | O15 | 127.1° | 120.0° |
| C10 | N11 | C12 | 113.2° | 120.0° |
| C10 | N11 | H11 | 123.4° | 120.0° |
| C12 | N11 | H11 | 123.4° | 120.0° |
| N11 | C12 | C13 | 122.9° | 114.4° |
| N11 | C12 | C16 | 121.9° | 114.4° |
| N11 | C12 | H12 | 86.2° | 113.4° |
| C13 | C12 | C16 | 81.1° | 82.2° |
| C13 | C12 | H12 | 124.4° | 114.4° |
| C12 | C13 | O18 | 129.8° | 132.1° |
| C12 | C13 | N29 | 99.5° | 95.7° |
| C16 | C12 | H12 | 125.4° | 114.4° |
| C12 | C16 | N29 | 94.8° | 89.0° |
| C12 | C16 | S | 117.4° | 116.0° |
| C12 | C16 | H16 | 118.4° | 114.4° |
| O18 | C13 | N29 | 130.7° | 132.1° |
| C13 | N29 | C16 | 84.4° | 89.9° |
| C13 | N29 | C30 | 111.2° | 142.7° |
| H141 | N14 | H142 | 109.5° | 106.7° |
| N29 | C16 | S | 119.7° | 106.6° |
| N29 | C16 | H16 | 116.0° | 114.7° |
| C16 | N29 | C30 | 118.8° | 127.1° |
| S | C16 | H16 | 92.7° | 113.6° |
| C16 | S | C37 | 105.3° | 99.1° |
| N29 | C30 | C31 | 113.0° | 120.4° |
| N29 | C30 | C32 | 125.2° | 119.2° |
| C31 | C30 | C32 | 121.8° | 120.4° |
| C30 | C31 | O42 | 119.6° | 120.0° |
| C30 | C31 | O43 | 121.6° | 120.0° |
| C30 | C32 | C33 | 124.9° | 116.2° |
| C30 | C32 | C37 | 128.1° | 127.7° |
| O42 | C31 | O43 | 118.7° | 120.0° |
| C31 | O42 | H421 | 119.7° | 120.0° |
| C33 | C32 | C37 | 107.0° | 116.1° |
| C32 | C33 | H331 | 109.5° | 109.4° |
| C32 | C33 | H332 | 109.5° | 109.5° |
| C32 | C33 | H333 | 109.5° | 109.5° |
| C32 | C37 | S | 111.4° | 113.1° |
| C32 | C37 | H371 | 109.0° | 109.4° |
| C32 | C37 | H372 | 108.3° | 108.0° |
| H331 | C33 | H332 | 109.4° | 109.4° |
| H331 | C33 | H333 | 109.4° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.5° |
| S | C37 | H371 | 109.0° | 108.8° |
| S | C37 | H372 | 108.3° | 108.8° |
| H371 | C37 | H372 | 110.8° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O19 | O20 | 168.5° | 180.0° |
| C1 | C2 | C3 | N14 | 123.6° | 120.0° |
| C1 | C2 | C3 | H2 | 115.9° | 120.0° |
| C1 | C2 | N14 | H2 | 116.0° | 120.0° |
| C1 | C2 | C3 | C4 | 167.5° | 180.0° |
| C1 | C2 | C3 | H3C1 | 47.0° | 60.0° |
| C1 | C2 | C3 | H3C2 | 74.2° | 60.0° |
| C1 | C2 | N14 | H141 | 63.9° | 60.0° |
| C1 | C2 | N14 | H142 | 176.1° | 53.7° |
| C2 | C1 | O20 | H20 | 180.0° | 180.0° |
| O19 | C1 | C2 | C3 | 83.7° | 90.0° |
| O19 | C1 | C2 | N14 | 36.4° | 30.0° |
| O19 | C1 | C2 | H2 | 156.6° | 150.0° |
| O19 | C1 | O20 | H20 | 11.5° | 0.0° |
| O20 | C1 | C2 | C3 | 83.7° | 90.0° |
| O20 | C1 | C2 | N14 | 156.3° | 150.0° |
| O20 | C1 | C2 | H2 | 36.1° | 30.0° |
| C3 | C2 | N14 | H2 | 120.1° | 120.0° |
| C2 | C3 | C4 | H3C1 | 120.5° | 120.1° |
| C2 | C3 | C4 | H3C2 | 118.3° | 120.1° |
| C2 | C3 | H3C1 | H3C2 | 118.5° | 120.0° |
| C2 | C3 | C4 | C7 | 140.1° | 180.0° |
| C2 | C3 | C4 | H4C1 | 98.7° | 60.0° |
| C2 | C3 | C4 | H4C2 | 24.5° | 60.0° |
| C3 | C2 | N14 | H141 | 172.1° | 60.0° |
| C3 | C2 | N14 | H142 | 52.1° | 173.8° |
| N14 | C2 | C3 | C4 | 68.9° | 60.0° |
| N14 | C2 | C3 | H3C1 | 170.6° | 60.0° |
| N14 | C2 | C3 | H3C2 | 49.4° | 180.0° |
| C2 | N14 | H141 | H142 | 120.0° | 113.8° |
| H2 | C2 | C3 | C4 | 51.6° | 60.0° |
| H2 | C2 | C3 | H3C1 | 68.9° | 180.0° |
| H2 | C2 | C3 | H3C2 | 169.9° | 60.1° |
| H2 | C2 | N14 | H141 | 52.0° | 180.0° |
| H2 | C2 | N14 | H142 | 67.9° | 66.2° |
| C4 | C3 | H3C1 | H3C2 | 118.5° | 119.9° |
| C3 | C4 | C7 | H4C1 | 121.2° | 120.1° |
| C3 | C4 | C7 | H4C2 | 115.6° | 120.1° |
| C3 | C4 | H4C1 | H4C2 | 116.3° | 120.0° |
| C3 | C4 | C7 | C10 | 114.8° | 180.0° |
| C3 | C4 | C7 | H7C1 | 123.8° | 60.0° |
| C3 | C4 | C7 | H7C2 | 0.3° | 60.0° |
| H3C1 | C3 | C4 | C7 | 19.6° | 59.9° |
| H3C1 | C3 | C4 | H4C1 | 140.8° | 180.0° |
| H3C1 | C3 | C4 | H4C2 | 96.0° | 60.1° |
| H3C2 | C3 | C4 | C7 | 101.6° | 60.0° |
| H3C2 | C3 | C4 | H4C1 | 19.6° | 60.1° |
| H3C2 | C3 | C4 | H4C2 | 142.8° | 180.0° |
| C7 | C4 | H4C1 | H4C2 | 116.3° | 119.9° |
| C4 | C7 | C10 | H7C1 | 121.4° | 120.1° |
| C4 | C7 | C10 | H7C2 | 114.5° | 120.0° |
| C4 | C7 | H7C1 | H7C2 | 115.5° | 120.0° |
| C4 | C7 | C10 | N11 | 174.4° | 180.0° |
| C4 | C7 | C10 | O15 | 6.2° | 0.1° |
| H4C1 | C4 | C7 | C10 | 6.4° | 59.9° |
| H4C1 | C4 | C7 | H7C1 | 115.0° | 180.0° |
| H4C1 | C4 | C7 | H7C2 | 120.9° | 60.1° |
| H4C2 | C4 | C7 | C10 | 129.6° | 60.0° |
| H4C2 | C4 | C7 | H7C1 | 8.2° | 60.1° |
| H4C2 | C4 | C7 | H7C2 | 115.9° | 179.9° |
| C10 | C7 | H7C1 | H7C2 | 115.5° | 119.9° |
| C7 | C10 | N11 | O15 | 179.2° | 179.9° |
| C7 | C10 | N11 | C12 | 41.9° | 180.0° |
| C7 | C10 | N11 | H11 | 138.1° | 0.1° |
| H7C1 | C7 | C10 | N11 | 64.1° | 59.9° |
| H7C1 | C7 | C10 | O15 | 115.2° | 120.0° |
| H7C2 | C7 | C10 | N11 | 59.9° | 60.1° |
| H7C2 | C7 | C10 | O15 | 120.8° | 120.0° |
| C10 | N11 | C12 | H11 | 180.0° | 179.9° |
| C10 | N11 | C12 | C13 | 127.1° | 117.6° |
| C10 | N11 | C12 | C16 | 132.1° | 150.0° |
| C10 | N11 | C12 | H12 | 2.1° | 16.2° |
| O15 | C10 | N11 | C12 | 137.4° | 0.1° |
| O15 | C10 | N11 | H11 | 42.6° | 180.0° |
| N11 | C12 | C13 | C16 | 122.4° | 113.4° |
| N11 | C12 | C13 | H12 | 110.4° | 133.3° |
| N11 | C12 | C16 | H12 | 110.3° | 133.3° |
| N11 | C12 | C13 | O18 | 55.8° | 80.2° |
| N11 | C12 | C13 | N29 | 126.3° | 99.8° |
| N11 | C12 | C16 | N29 | 127.1° | 101.4° |
| N11 | C12 | C16 | S | 0.1° | 6.7° |
| N11 | C12 | C16 | H16 | 109.8° | 141.8° |
| H11 | N11 | C12 | C13 | 52.9° | 62.5° |
| H11 | N11 | C12 | C16 | 47.9° | 30.0° |
| H11 | N11 | C12 | H12 | 177.9° | 163.7° |
| C13 | C12 | C16 | H12 | 126.3° | 113.4° |
| C12 | C13 | O18 | N29 | 177.2° | 180.0° |
| C13 | C12 | C16 | N29 | 3.7° | 12.0° |
| C13 | C12 | C16 | S | 123.4° | 120.0° |
| C13 | C12 | C16 | H16 | 126.8° | 104.8° |
| C12 | C13 | N29 | C30 | 122.7° | 160.6° |
| C16 | C12 | C13 | O18 | 178.2° | 166.5° |
| C12 | C16 | N29 | S | 125.3° | 116.9° |
| C12 | C16 | N29 | H16 | 124.9° | 116.5° |
| C12 | C16 | S | H16 | 124.1° | 135.5° |
| C12 | C16 | N29 | C30 | 114.9° | 162.1° |
| C12 | C16 | S | C37 | 129.2° | 150.3° |
| H12 | C12 | C13 | O18 | 54.5° | 53.1° |
| H12 | C12 | C13 | N29 | 123.3° | 126.8° |
| H12 | C12 | C16 | N29 | 122.6° | 125.4° |
| H12 | C12 | C16 | S | 110.4° | 126.6° |
| H12 | C12 | C16 | H16 | 0.5° | 8.6° |
| O18 | C13 | N29 | C16 | 178.2° | 166.3° |
| O18 | C13 | N29 | C30 | 59.5° | 19.4° |
| C13 | N29 | C16 | C30 | 111.1° | 175.7° |
| C13 | N29 | C16 | S | 121.5° | 130.4° |
| C13 | N29 | C16 | H16 | 128.7° | 103.0° |
| C13 | N29 | C30 | C31 | 63.6° | 22.9° |
| C13 | N29 | C30 | C32 | 116.1° | 157.1° |
| N29 | C16 | S | H16 | 122.2° | 127.2° |
| C16 | N29 | C30 | C31 | 158.9° | 164.3° |
| C16 | N29 | C30 | C32 | 20.8° | 15.7° |
| N29 | C16 | S | C37 | 15.4° | 53.1° |
| S | C16 | N29 | C30 | 10.4° | 45.2° |
| C16 | S | C37 | C32 | 33.0° | 45.4° |
| C16 | S | C37 | H371 | 87.3° | 167.1° |
| C16 | S | C37 | H372 | 152.1° | 74.6° |
| H16 | C16 | N29 | C30 | 120.2° | 81.3° |
| H16 | C16 | S | C37 | 106.7° | 74.2° |
| N29 | C30 | C31 | C32 | 179.7° | 180.0° |
| N29 | C30 | C31 | O42 | 0.5° | 180.0° |
| N29 | C30 | C31 | O43 | 178.4° | 0.0° |
| N29 | C30 | C32 | C33 | 178.4° | 177.8° |
| N29 | C30 | C32 | C37 | 3.0° | 1.8° |
| C30 | C31 | O42 | O43 | 178.9° | 180.0° |
| C31 | C30 | C32 | C33 | 1.3° | 2.2° |
| C31 | C30 | C32 | C37 | 177.4° | 178.2° |
| C30 | C31 | O42 | H421 | 180.0° | 180.0° |
| C32 | C30 | C31 | O42 | 179.8° | 0.0° |
| C32 | C30 | C31 | O43 | 1.3° | 180.0° |
| C30 | C32 | C33 | C37 | 178.9° | 179.7° |
| C30 | C32 | C33 | H331 | 72.9° | 179.9° |
| C30 | C32 | C33 | H332 | 47.1° | 60.0° |
| C30 | C32 | C33 | H333 | 167.1° | 60.0° |
| C30 | C32 | C37 | S | 32.2° | 22.9° |
| C30 | C32 | C37 | H371 | 88.1° | 144.4° |
| C30 | C32 | C37 | H372 | 151.3° | 97.5° |
| O43 | C31 | O42 | H421 | 1.1° | 0.0° |
| C32 | C33 | H331 | H332 | 120.0° | 119.9° |
| C32 | C33 | H331 | H333 | 120.0° | 120.1° |
| C32 | C33 | H332 | H333 | 120.0° | 120.1° |
| C33 | C32 | C37 | S | 148.9° | 156.7° |
| C33 | C32 | C37 | H371 | 90.8° | 35.3° |
| C33 | C32 | C37 | H372 | 29.9° | 82.9° |
| C37 | C32 | C33 | H331 | 108.2° | 0.2° |
| C37 | C32 | C33 | H332 | 131.8° | 119.7° |
| C37 | C32 | C33 | H333 | 11.8° | 120.3° |
| C32 | C37 | S | H371 | 120.3° | 121.8° |
| C32 | C37 | S | H372 | 119.1° | 119.9° |
| C32 | C37 | H371 | H372 | 119.1° | 117.7° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
| S | C37 | H371 | H372 | 119.1° | 118.4° |
