1PT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PT | N1 | sing | 2.03Å | 2.03Å | |
| PT | N2 | sing | 2.02Å | 2.02Å | |
| N1 | C1 | sing | 1.54Å | 1.54Å | |
| N1 | H11 | sing | 1.00Å | 1.00Å | |
| N1 | H12 | sing | 1.00Å | 1.00Å | |
| N2 | C2 | sing | 1.54Å | 1.54Å | |
| N2 | H21 | sing | 1.00Å | 1.00Å | |
| N2 | H22 | sing | 1.00Å | 1.00Å | |
| C1 | C2 | sing | 1.52Å | 1.52Å | |
| C1 | C6 | sing | 1.49Å | 1.49Å | |
| C1 | H1 | sing | 1.10Å | 1.10Å | |
| C2 | C3 | sing | 1.50Å | 1.50Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | H31 | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C4 | C5 | sing | 1.61Å | 1.61Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| C5 | C6 | sing | 1.57Å | 1.57Å | |
| C5 | H51 | sing | 1.10Å | 1.10Å | |
| C5 | H52 | sing | 1.10Å | 1.10Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | PT | N2 | 85.7° | 85.7° |
| PT | N1 | C1 | 108.4° | 108.4° |
| PT | N1 | H11 | 109.8° | 109.8° |
| PT | N1 | H12 | 109.7° | 109.8° |
| PT | N2 | C2 | 108.2° | 108.2° |
| PT | N2 | H21 | 109.8° | 109.8° |
| PT | N2 | H22 | 109.8° | 109.8° |
| C1 | N1 | H11 | 109.8° | 109.8° |
| C1 | N1 | H12 | 109.7° | 109.7° |
| N1 | C1 | C2 | 106.8° | 106.8° |
| N1 | C1 | C6 | 112.9° | 112.9° |
| N1 | C1 | H1 | 108.3° | 108.3° |
| H11 | N1 | H12 | 109.5° | 109.4° |
| C2 | N2 | H21 | 109.8° | 109.8° |
| C2 | N2 | H22 | 109.8° | 109.8° |
| N2 | C2 | C1 | 107.2° | 107.2° |
| N2 | C2 | C3 | 112.7° | 112.7° |
| N2 | C2 | H2 | 108.3° | 108.3° |
| H21 | N2 | H22 | 109.5° | 109.5° |
| C2 | C1 | C6 | 111.1° | 111.1° |
| C2 | C1 | H1 | 108.7° | 108.7° |
| C1 | C2 | C3 | 111.2° | 111.2° |
| C1 | C2 | H2 | 108.6° | 108.6° |
| C6 | C1 | H1 | 109.0° | 109.0° |
| C1 | C6 | C5 | 110.9° | 110.9° |
| C1 | C6 | H61 | 109.1° | 109.1° |
| C1 | C6 | H62 | 109.1° | 109.1° |
| C3 | C2 | H2 | 108.8° | 108.8° |
| C2 | C3 | C4 | 110.7° | 110.7° |
| C2 | C3 | H31 | 109.2° | 109.2° |
| C2 | C3 | H32 | 109.2° | 109.2° |
| C4 | C3 | H31 | 109.2° | 109.1° |
| C4 | C3 | H32 | 109.2° | 109.2° |
| C3 | C4 | C5 | 111.4° | 111.4° |
| C3 | C4 | H41 | 109.0° | 109.0° |
| C3 | C4 | H42 | 109.0° | 109.0° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| C5 | C4 | H41 | 109.0° | 109.0° |
| C5 | C4 | H42 | 109.0° | 109.0° |
| C4 | C5 | C6 | 106.9° | 106.9° |
| C4 | C5 | H51 | 110.1° | 110.1° |
| C4 | C5 | H52 | 110.1° | 110.1° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| C6 | C5 | H51 | 110.1° | 110.1° |
| C6 | C5 | H52 | 110.1° | 110.1° |
| C5 | C6 | H61 | 109.1° | 109.1° |
| C5 | C6 | H62 | 109.1° | 109.1° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| PT | N1 | C1 | H11 | 119.8° | 119.8° |
| PT | N1 | C1 | H12 | 119.8° | 119.9° |
| PT | N1 | H11 | H12 | 120.5° | 120.5° |
| N1 | PT | N2 | C2 | 14.3° | 14.3° |
| N1 | PT | N2 | H21 | 105.5° | 105.5° |
| N1 | PT | N2 | H22 | 134.1° | 134.1° |
| PT | N1 | C1 | C2 | 40.5° | 40.5° |
| PT | N1 | C1 | C6 | 162.9° | 162.9° |
| PT | N1 | C1 | H1 | 76.3° | 76.3° |
| N2 | PT | N1 | C1 | 14.4° | 14.4° |
| N2 | PT | N1 | H11 | 105.5° | 105.5° |
| N2 | PT | N1 | H12 | 134.2° | 134.2° |
| PT | N2 | C2 | H21 | 119.8° | 119.8° |
| PT | N2 | C2 | H22 | 119.8° | 119.8° |
| PT | N2 | H21 | H22 | 120.6° | 120.6° |
| PT | N2 | C2 | C1 | 40.7° | 40.7° |
| PT | N2 | C2 | C3 | 163.3° | 163.3° |
| PT | N2 | C2 | H2 | 76.3° | 76.3° |
| C1 | N1 | H11 | H12 | 120.5° | 120.5° |
| N1 | C1 | C2 | N2 | 53.0° | 53.0° |
| N1 | C1 | C2 | C6 | 123.5° | 123.5° |
| N1 | C1 | C2 | H1 | 116.6° | 116.6° |
| N1 | C1 | C6 | H1 | 120.4° | 120.4° |
| N1 | C1 | C2 | C3 | 176.6° | 176.6° |
| N1 | C1 | C2 | H2 | 63.8° | 63.8° |
| N1 | C1 | C6 | C5 | 180.0° | 180.0° |
| N1 | C1 | C6 | H61 | 59.8° | 59.8° |
| N1 | C1 | C6 | H62 | 59.8° | 59.8° |
| H11 | N1 | C1 | C2 | 79.3° | 79.3° |
| H11 | N1 | C1 | C6 | 43.0° | 43.0° |
| H11 | N1 | C1 | H1 | 163.8° | 163.8° |
| H12 | N1 | C1 | C2 | 160.3° | 160.4° |
| H12 | N1 | C1 | C6 | 77.3° | 77.3° |
| H12 | N1 | C1 | H1 | 43.5° | 43.5° |
| C2 | N2 | H21 | H22 | 120.5° | 120.5° |
| N2 | C2 | C1 | C3 | 123.6° | 123.6° |
| N2 | C2 | C1 | H2 | 116.8° | 116.8° |
| N2 | C2 | C1 | C6 | 176.5° | 176.5° |
| N2 | C2 | C1 | H1 | 63.6° | 63.6° |
| N2 | C2 | C3 | H2 | 120.1° | 120.1° |
| N2 | C2 | C3 | C4 | 178.5° | 178.5° |
| N2 | C2 | C3 | H31 | 58.3° | 58.3° |
| N2 | C2 | C3 | H32 | 61.4° | 61.4° |
| H21 | N2 | C2 | C1 | 79.2° | 79.2° |
| H21 | N2 | C2 | C3 | 43.5° | 43.5° |
| H21 | N2 | C2 | H2 | 163.9° | 163.9° |
| H22 | N2 | C2 | C1 | 160.5° | 160.5° |
| H22 | N2 | C2 | C3 | 76.9° | 76.9° |
| H22 | N2 | C2 | H2 | 43.5° | 43.5° |
| C2 | C1 | C6 | H1 | 119.7° | 119.7° |
| C1 | C2 | C3 | H2 | 119.5° | 119.5° |
| C1 | C2 | C3 | C4 | 58.1° | 58.1° |
| C1 | C2 | C3 | H31 | 62.1° | 62.0° |
| C1 | C2 | C3 | H32 | 178.3° | 178.3° |
| C2 | C1 | C6 | C5 | 60.0° | 60.0° |
| C2 | C1 | C6 | H61 | 60.2° | 60.2° |
| C2 | C1 | C6 | H62 | 179.7° | 179.7° |
| C6 | C1 | C2 | C3 | 59.9° | 59.9° |
| C6 | C1 | C2 | H2 | 59.7° | 59.7° |
| C1 | C6 | C5 | C4 | 56.4° | 56.4° |
| C1 | C6 | C5 | H61 | 120.2° | 120.2° |
| C1 | C6 | C5 | H62 | 120.2° | 120.2° |
| C1 | C6 | C5 | H51 | 63.2° | 63.2° |
| C1 | C6 | C5 | H52 | 176.0° | 176.0° |
| C1 | C6 | H61 | H62 | 119.3° | 119.3° |
| H1 | C1 | C2 | C3 | 59.9° | 59.9° |
| H1 | C1 | C2 | H2 | 179.6° | 179.6° |
| H1 | C1 | C6 | C5 | 59.6° | 59.6° |
| H1 | C1 | C6 | H61 | 179.9° | 179.9° |
| H1 | C1 | C6 | H62 | 60.6° | 60.6° |
| C2 | C3 | C4 | H31 | 120.2° | 120.2° |
| C2 | C3 | C4 | H32 | 120.2° | 120.2° |
| C2 | C3 | H31 | H32 | 119.4° | 119.5° |
| C2 | C3 | C4 | C5 | 57.1° | 57.1° |
| C2 | C3 | C4 | H41 | 177.4° | 177.4° |
| C2 | C3 | C4 | H42 | 63.2° | 63.2° |
| H2 | C2 | C3 | C4 | 61.4° | 61.4° |
| H2 | C2 | C3 | H31 | 178.4° | 178.4° |
| H2 | C2 | C3 | H32 | 58.8° | 58.7° |
| C4 | C3 | H31 | H32 | 119.5° | 119.4° |
| C3 | C4 | C5 | H41 | 120.3° | 120.3° |
| C3 | C4 | C5 | H42 | 120.3° | 120.3° |
| C3 | C4 | H41 | H42 | 119.1° | 119.1° |
| C3 | C4 | C5 | C6 | 55.3° | 55.3° |
| C3 | C4 | C5 | H51 | 64.3° | 64.3° |
| C3 | C4 | C5 | H52 | 174.8° | 174.8° |
| H31 | C3 | C4 | C5 | 63.1° | 63.1° |
| H31 | C3 | C4 | H41 | 57.2° | 57.2° |
| H31 | C3 | C4 | H42 | 176.6° | 176.6° |
| H32 | C3 | C4 | C5 | 177.2° | 177.2° |
| H32 | C3 | C4 | H41 | 62.5° | 62.5° |
| H32 | C3 | C4 | H42 | 56.9° | 56.9° |
| C5 | C4 | H41 | H42 | 119.1° | 119.1° |
| C4 | C5 | C6 | H51 | 119.6° | 119.6° |
| C4 | C5 | C6 | H52 | 119.6° | 119.6° |
| C4 | C5 | H51 | H52 | 121.2° | 121.2° |
| C4 | C5 | C6 | H61 | 63.8° | 63.8° |
| C4 | C5 | C6 | H62 | 176.7° | 176.7° |
| H41 | C4 | C5 | C6 | 175.6° | 175.6° |
| H41 | C4 | C5 | H51 | 56.0° | 56.0° |
| H41 | C4 | C5 | H52 | 64.8° | 64.8° |
| H42 | C4 | C5 | C6 | 65.0° | 65.0° |
| H42 | C4 | C5 | H51 | 175.4° | 175.4° |
| H42 | C4 | C5 | H52 | 54.6° | 54.6° |
| C6 | C5 | H51 | H52 | 121.2° | 121.2° |
| C5 | C6 | H61 | H62 | 119.4° | 119.4° |
| H51 | C5 | C6 | H61 | 176.6° | 176.6° |
| H51 | C5 | C6 | H62 | 57.1° | 57.1° |
| H52 | C5 | C6 | H61 | 55.8° | 55.8° |
| H52 | C5 | C6 | H62 | 63.8° | 63.8° |
