SIL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.34Å | 1.34Å | |
| C1 | H11 | sing | 1.08Å | 1.10Å | |
| C1 | H12 | sing | 1.08Å | 1.10Å | |
| C2 | C5 | sing | 1.50Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | C7 | sing | 1.53Å | 1.56Å | |
| C5 | H51 | sing | 1.10Å | 1.12Å | |
| C5 | H52 | sing | 1.10Å | 1.12Å | |
| C7 | C10 | sing | 1.53Å | 1.55Å | |
| C7 | H71 | sing | 1.10Å | 1.12Å | |
| C7 | H72 | sing | 1.10Å | 1.11Å | |
| C10 | C13 | sing | 1.52Å | 1.53Å | |
| C10 | H101 | sing | 1.10Å | 1.12Å | |
| C10 | H102 | sing | 1.10Å | 1.11Å | |
| C13 | P16 | sing | 1.81Å | 1.82Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.10Å | 1.11Å | |
| P16 | O20 | doub | 1.49Å | 1.54Å | |
| P16 | O21 | sing | 1.61Å | 1.58Å | |
| P16 | O1 | sing | 1.61Å | 34.58Å | |
| O21 | C23 | sing | 1.42Å | 1.42Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C27 | sing | 1.51Å | 1.56Å | |
| C24 | O28 | sing | 1.43Å | 1.40Å | |
| C24 | H24 | sing | 1.10Å | 1.11Å | |
| C27 | O31 | sing | 1.43Å | 1.39Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.10Å | 1.11Å | |
| O28 | C30 | sing | 1.44Å | 1.59Å | |
| C30 | O31 | sing | 1.44Å | 1.58Å | |
| C30 | C34 | sing | 1.52Å | 1.53Å | |
| C30 | C38 | sing | 1.52Å | 1.53Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C34 | H343 | sing | 1.09Å | 1.11Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C38 | H383 | sing | 1.09Å | 1.12Å | |
| O1 | HO1 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.1° | 121.5° |
| C2 | C1 | H12 | 133.2° | 120.4° |
| C1 | C2 | C5 | 109.1° | 124.0° |
| C1 | C2 | H2 | 120.5° | 118.6° |
| H11 | C1 | H12 | 117.7° | 118.0° |
| C5 | C2 | H2 | 130.4° | 117.4° |
| C2 | C5 | C7 | 114.0° | 111.2° |
| C2 | C5 | H51 | 110.6° | 110.7° |
| C2 | C5 | H52 | 110.5° | 108.4° |
| C7 | C5 | H51 | 110.5° | 109.6° |
| C7 | C5 | H52 | 110.6° | 109.8° |
| C5 | C7 | C10 | 114.2° | 111.1° |
| C5 | C7 | H71 | 110.5° | 109.7° |
| C5 | C7 | H72 | 110.5° | 109.6° |
| H51 | C5 | H52 | 99.8° | 106.9° |
| C10 | C7 | H71 | 110.5° | 109.5° |
| C10 | C7 | H72 | 110.5° | 109.8° |
| C7 | C10 | C13 | 109.1° | 112.2° |
| C7 | C10 | H101 | 112.4° | 109.5° |
| C7 | C10 | H102 | 112.3° | 109.5° |
| H71 | C7 | H72 | 99.8° | 107.0° |
| C13 | C10 | H101 | 112.3° | 108.9° |
| C13 | C10 | H102 | 112.3° | 109.3° |
| C10 | C13 | P16 | 108.8° | 113.6° |
| C10 | C13 | H131 | 112.4° | 110.6° |
| C10 | C13 | H132 | 112.5° | 109.1° |
| H101 | C10 | H102 | 98.1° | 107.4° |
| P16 | C13 | H131 | 112.5° | 108.7° |
| P16 | C13 | H132 | 112.5° | 107.2° |
| C13 | P16 | O20 | 108.3° | 112.9° |
| C13 | P16 | O21 | 111.5° | 105.1° |
| C13 | P16 | O1 | 130.5° | 103.3° |
| H131 | C13 | H132 | 98.0° | 107.4° |
| O20 | P16 | O21 | 104.7° | 115.6° |
| O20 | P16 | O1 | 26.4° | 115.5° |
| O21 | P16 | O1 | 82.0° | 103.0° |
| P16 | O21 | C23 | 115.6° | 121.5° |
| P16 | O1 | HO1 | 130.6° | 118.0° |
| O21 | C23 | C24 | 107.0° | 109.0° |
| O21 | C23 | H231 | 113.1° | 108.8° |
| O21 | C23 | H232 | 113.1° | 108.8° |
| C24 | C23 | H231 | 113.1° | 110.5° |
| C24 | C23 | H232 | 113.1° | 110.5° |
| C23 | C24 | C27 | 110.1° | 113.9° |
| C23 | C24 | O28 | 109.7° | 110.6° |
| C23 | C24 | H24 | 108.8° | 110.2° |
| H231 | C23 | H232 | 97.3° | 109.1° |
| C27 | C24 | O28 | 109.3° | 103.0° |
| C27 | C24 | H24 | 109.3° | 111.0° |
| C24 | C27 | O31 | 110.6° | 103.1° |
| C24 | C27 | H271 | 111.8° | 113.3° |
| C24 | C27 | H272 | 111.8° | 112.3° |
| O28 | C24 | H24 | 109.7° | 107.7° |
| C24 | O28 | C30 | 106.8° | 104.6° |
| O31 | C27 | H271 | 111.8° | 110.5° |
| O31 | C27 | H272 | 111.8° | 108.1° |
| C27 | O31 | C30 | 106.3° | 104.6° |
| H271 | C27 | H272 | 98.6° | 109.3° |
| O28 | C30 | O31 | 104.6° | 109.7° |
| O28 | C30 | C34 | 110.4° | 108.6° |
| O28 | C30 | C38 | 110.8° | 109.3° |
| O31 | C30 | C34 | 110.5° | 109.3° |
| O31 | C30 | C38 | 110.0° | 108.6° |
| C34 | C30 | C38 | 110.4° | 111.3° |
| C30 | C34 | H341 | 111.9° | 110.6° |
| C30 | C34 | H342 | 110.4° | 110.6° |
| C30 | C34 | H343 | 111.9° | 110.6° |
| C30 | C38 | H381 | 111.7° | 110.5° |
| C30 | C38 | H382 | 110.8° | 110.5° |
| C30 | C38 | H383 | 111.7° | 110.5° |
| H341 | C34 | H342 | 111.9° | 108.3° |
| H341 | C34 | H343 | 98.5° | 108.4° |
| H342 | C34 | H343 | 111.9° | 108.3° |
| H381 | C38 | H382 | 111.8° | 108.4° |
| H381 | C38 | H383 | 98.7° | 108.4° |
| H382 | C38 | H383 | 111.7° | 108.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 180.0° | 180.0° |
| C1 | C2 | C5 | H2 | 180.0° | 179.2° |
| C1 | C2 | C5 | C7 | 179.6° | 122.3° |
| C1 | C2 | C5 | H51 | 54.3° | 0.1° |
| C1 | C2 | C5 | H52 | 55.2° | 116.9° |
| H11 | C1 | C2 | C5 | 180.0° | 180.0° |
| H11 | C1 | C2 | H2 | 0.0° | 0.8° |
| H12 | C1 | C2 | C5 | 0.0° | 0.0° |
| H12 | C1 | C2 | H2 | 180.0° | 179.2° |
| C2 | C5 | C7 | H51 | 125.2° | 122.8° |
| C2 | C5 | C7 | H52 | 125.2° | 120.0° |
| C2 | C5 | H51 | H52 | 116.4° | 117.9° |
| C2 | C5 | C7 | C10 | 1.2° | 178.7° |
| C2 | C5 | C7 | H71 | 124.1° | 60.0° |
| C2 | C5 | C7 | H72 | 126.5° | 57.2° |
| H2 | C2 | C5 | C7 | 0.5° | 58.5° |
| H2 | C2 | C5 | H51 | 125.7° | 179.3° |
| H2 | C2 | C5 | H52 | 124.8° | 62.3° |
| C7 | C5 | H51 | H52 | 116.4° | 118.9° |
| C5 | C7 | C10 | H71 | 125.3° | 121.4° |
| C5 | C7 | C10 | H72 | 125.3° | 121.4° |
| C5 | C7 | H71 | H72 | 116.3° | 118.8° |
| C5 | C7 | C10 | C13 | 177.9° | 179.0° |
| C5 | C7 | C10 | H101 | 56.9° | 60.0° |
| C5 | C7 | C10 | H102 | 52.6° | 57.5° |
| H51 | C5 | C7 | C10 | 126.4° | 58.4° |
| H51 | C5 | C7 | H71 | 1.1° | 62.8° |
| H51 | C5 | C7 | H72 | 108.3° | 180.0° |
| H52 | C5 | C7 | C10 | 124.0° | 58.7° |
| H52 | C5 | C7 | H71 | 110.7° | 180.0° |
| H52 | C5 | C7 | H72 | 1.2° | 62.8° |
| C10 | C7 | H71 | H72 | 116.3° | 119.0° |
| C7 | C10 | C13 | H101 | 125.3° | 121.3° |
| C7 | C10 | C13 | H102 | 125.2° | 121.7° |
| C7 | C10 | H101 | H102 | 118.3° | 118.8° |
| C7 | C10 | C13 | P16 | 177.9° | 177.5° |
| C7 | C10 | C13 | H131 | 56.8° | 60.0° |
| C7 | C10 | C13 | H132 | 52.6° | 58.0° |
| H71 | C7 | C10 | C13 | 52.6° | 59.6° |
| H71 | C7 | C10 | H101 | 177.8° | 61.4° |
| H71 | C7 | C10 | H102 | 72.7° | 178.9° |
| H72 | C7 | C10 | C13 | 56.9° | 57.6° |
| H72 | C7 | C10 | H101 | 68.4° | 178.6° |
| H72 | C7 | C10 | H102 | 177.9° | 63.9° |
| C13 | C10 | H101 | H102 | 118.3° | 118.2° |
| C10 | C13 | P16 | H131 | 125.2° | 123.6° |
| C10 | C13 | P16 | H132 | 125.3° | 120.6° |
| C10 | C13 | H131 | H132 | 118.4° | 119.0° |
| C10 | C13 | P16 | O20 | 65.1° | 60.0° |
| C10 | C13 | P16 | O21 | 179.9° | 66.9° |
| C10 | C13 | P16 | O1 | 81.8° | 174.6° |
| H101 | C10 | C13 | P16 | 52.6° | 56.2° |
| H101 | C10 | C13 | H131 | 177.9° | 178.7° |
| H101 | C10 | C13 | H132 | 72.6° | 63.4° |
| H102 | C10 | C13 | P16 | 56.9° | 60.8° |
| H102 | C10 | C13 | H131 | 68.4° | 61.7° |
| H102 | C10 | C13 | H132 | 177.9° | 179.6° |
| P16 | C13 | H131 | H132 | 118.4° | 115.6° |
| C13 | P16 | O20 | O21 | 119.1° | 121.1° |
| C13 | P16 | O20 | O1 | 150.7° | 118.6° |
| C13 | P16 | O21 | O1 | 130.6° | 107.9° |
| C13 | P16 | O21 | C23 | 60.9° | 60.0° |
| C13 | P16 | O1 | HO1 | 180.0° | 130.1° |
| H131 | C13 | P16 | O20 | 169.7° | 176.4° |
| H131 | C13 | P16 | O21 | 54.9° | 56.7° |
| H131 | C13 | P16 | O1 | 153.0° | 51.0° |
| H132 | C13 | P16 | O20 | 60.2° | 60.6° |
| H132 | C13 | P16 | O21 | 54.6° | 172.5° |
| H132 | C13 | P16 | O1 | 43.5° | 64.8° |
| O20 | P16 | O21 | O1 | 13.6° | 126.9° |
| O20 | P16 | O21 | C23 | 177.8° | 174.9° |
| O20 | P16 | O1 | HO1 | 142.3° | 6.3° |
| P16 | O21 | C23 | C24 | 153.7° | 180.0° |
| P16 | O21 | C23 | H231 | 28.4° | 59.4° |
| P16 | O21 | C23 | H232 | 81.0° | 59.4° |
| O21 | P16 | O1 | HO1 | 68.5° | 120.7° |
| O1 | P16 | O21 | C23 | 168.6° | 48.0° |
| O21 | C23 | C24 | H231 | 125.3° | 119.5° |
| O21 | C23 | C24 | H232 | 125.2° | 119.6° |
| O21 | C23 | H231 | H232 | 119.0° | 118.6° |
| O21 | C23 | C24 | C27 | 51.3° | 179.5° |
| O21 | C23 | C24 | O28 | 171.5° | 65.0° |
| O21 | C23 | C24 | H24 | 68.5° | 53.9° |
| C24 | C23 | H231 | H232 | 119.1° | 121.7° |
| C23 | C24 | C27 | O28 | 120.5° | 119.8° |
| C23 | C24 | C27 | H24 | 119.5° | 125.2° |
| C23 | C24 | O28 | H24 | 119.5° | 120.5° |
| C23 | C24 | C27 | O31 | 119.3° | 159.0° |
| C23 | C24 | C27 | H271 | 6.0° | 81.5° |
| C23 | C24 | C27 | H272 | 115.5° | 42.9° |
| C23 | C24 | O28 | C30 | 129.3° | 153.1° |
| H231 | C23 | C24 | C27 | 176.6° | 60.0° |
| H231 | C23 | C24 | O28 | 63.2° | 175.5° |
| H231 | C23 | C24 | H24 | 56.8° | 65.6° |
| H232 | C23 | C24 | C27 | 73.9° | 60.9° |
| H232 | C23 | C24 | O28 | 46.3° | 54.6° |
| H232 | C23 | C24 | H24 | 166.3° | 173.5° |
| C27 | C24 | O28 | H24 | 119.8° | 117.4° |
| C24 | C27 | O31 | H271 | 125.2° | 121.4° |
| C24 | C27 | O31 | H272 | 125.3° | 119.0° |
| C24 | C27 | H271 | H272 | 117.7° | 126.0° |
| C27 | C24 | O28 | C30 | 8.6° | 31.0° |
| C24 | C27 | O31 | C30 | 10.4° | 31.1° |
| O28 | C24 | C27 | O31 | 1.2° | 39.2° |
| O28 | C24 | C27 | H271 | 126.4° | 158.7° |
| O28 | C24 | C27 | H272 | 124.1° | 76.9° |
| C24 | O28 | C30 | O31 | 14.4° | 12.5° |
| C24 | O28 | C30 | C34 | 133.3° | 131.8° |
| C24 | O28 | C30 | C38 | 104.1° | 106.6° |
| H24 | C24 | C27 | O31 | 121.2° | 75.8° |
| H24 | C24 | C27 | H271 | 113.5° | 43.7° |
| H24 | C24 | C27 | H272 | 4.0° | 168.1° |
| H24 | C24 | O28 | C30 | 111.2° | 86.4° |
| O31 | C27 | H271 | H272 | 117.7° | 118.9° |
| C27 | O31 | C30 | O28 | 15.0° | 12.6° |
| C27 | O31 | C30 | C34 | 133.8° | 106.3° |
| C27 | O31 | C30 | C38 | 104.0° | 132.1° |
| H271 | C27 | O31 | C30 | 135.6° | 152.5° |
| H272 | C27 | O31 | C30 | 114.9° | 87.9° |
| O28 | C30 | O31 | C34 | 118.8° | 118.9° |
| O28 | C30 | O31 | C38 | 119.0° | 119.5° |
| O28 | C30 | C34 | C38 | 122.8° | 120.4° |
| O28 | C30 | C34 | H341 | 54.7° | 53.2° |
| O28 | C30 | C34 | H342 | 180.0° | 173.2° |
| O28 | C30 | C34 | H343 | 54.7° | 66.8° |
| O28 | C30 | C38 | H381 | 54.7° | 99.5° |
| O28 | C30 | C38 | H382 | 180.0° | 20.5° |
| O28 | C30 | C38 | H383 | 54.7° | 140.5° |
| O31 | C30 | C34 | C38 | 121.9° | 120.0° |
| O31 | C30 | C34 | H341 | 170.0° | 172.9° |
| O31 | C30 | C34 | H342 | 64.7° | 67.2° |
| O31 | C30 | C34 | H343 | 60.5° | 52.9° |
| O31 | C30 | C38 | H381 | 60.5° | 140.8° |
| O31 | C30 | C38 | H382 | 64.8° | 99.2° |
| O31 | C30 | C38 | H383 | 170.0° | 20.8° |
| C30 | C34 | H341 | H342 | 124.4° | 121.3° |
| C30 | C34 | H341 | H343 | 117.8° | 121.3° |
| C30 | C34 | H342 | H343 | 125.3° | 121.4° |
| C34 | C30 | C38 | H381 | 177.3° | 20.4° |
| C34 | C30 | C38 | H382 | 57.4° | 140.4° |
| C34 | C30 | C38 | H383 | 67.8° | 99.6° |
| C38 | C30 | C34 | H341 | 68.1° | 67.1° |
| C38 | C30 | C34 | H342 | 57.2° | 52.8° |
| C38 | C30 | C34 | H343 | 177.5° | 172.8° |
| C30 | C38 | H381 | H382 | 124.7° | 121.3° |
| C30 | C38 | H381 | H383 | 117.6° | 121.3° |
| C30 | C38 | H382 | H383 | 125.2° | 121.3° |
| H341 | C34 | H342 | H343 | 109.5° | 117.3° |
| H381 | C38 | H382 | H383 | 109.5° | 117.4° |
