P7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C3 | doub | 1.21Å | 1.26Å | |
| C21 | C2 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| O21 | C2 | doub | 1.21Å | 1.26Å | |
| C2 | O22 | sing | 1.34Å | 1.22Å | |
| C3 | C31 | sing | 1.51Å | 1.52Å | |
| C3 | O32 | sing | 1.34Å | 1.26Å | |
| C22 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C41 | sing | 1.53Å | 1.52Å | |
| C41 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | O42 | doub | 1.21Å | 1.29Å | |
| C4 | O41 | sing | 1.34Å | 1.27Å | |
| O41 | H1 | sing | 0.97Å | 0.95Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| O32 | H2 | sing | 0.97Å | 0.95Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| O22 | H3 | sing | 0.97Å | 0.95Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C3 | C31 | 117.2° | 120.0° |
| O31 | C3 | O32 | 124.9° | 120.0° |
| C2 | C21 | C22 | 107.1° | 109.5° |
| C21 | C2 | O21 | 119.2° | 120.0° |
| C21 | C2 | O22 | 116.0° | 120.0° |
| C2 | C21 | H4 | 110.1° | 109.5° |
| C2 | C21 | H21 | 110.1° | 109.4° |
| C21 | C22 | C31 | 112.2° | 109.5° |
| C21 | C22 | H221 | 108.8° | 109.5° |
| C21 | C22 | H222 | 108.8° | 109.5° |
| C22 | C21 | H4 | 110.1° | 109.5° |
| C22 | C21 | H21 | 110.1° | 109.5° |
| O21 | C2 | O22 | 124.6° | 120.0° |
| C2 | O22 | H3 | 109.5° | 117.0° |
| C31 | C3 | O32 | 117.9° | 120.0° |
| C3 | C31 | C22 | 108.9° | 109.4° |
| C3 | C31 | C32 | 109.0° | 109.5° |
| C3 | C31 | H31 | 108.3° | 109.5° |
| C3 | O32 | H2 | 109.5° | 117.0° |
| C22 | C31 | C32 | 114.1° | 109.5° |
| C31 | C22 | H221 | 108.8° | 109.5° |
| C31 | C22 | H222 | 108.8° | 109.5° |
| C22 | C31 | H31 | 108.2° | 109.5° |
| C31 | C32 | C41 | 113.7° | 109.4° |
| C31 | C32 | H322 | 108.4° | 109.5° |
| C31 | C32 | H321 | 108.4° | 109.5° |
| C32 | C31 | H31 | 108.2° | 109.5° |
| C32 | C41 | C4 | 116.5° | 109.4° |
| C32 | C41 | H412 | 107.7° | 109.5° |
| C32 | C41 | H411 | 107.7° | 109.5° |
| C41 | C32 | H322 | 108.4° | 109.4° |
| C41 | C32 | H321 | 108.4° | 109.5° |
| C41 | C4 | O42 | 119.7° | 120.0° |
| C41 | C4 | O41 | 115.8° | 120.0° |
| C4 | C41 | H412 | 107.7° | 109.5° |
| C4 | C41 | H411 | 107.7° | 109.4° |
| O42 | C4 | O41 | 124.5° | 120.0° |
| C4 | O41 | H1 | 109.5° | 117.0° |
| H412 | C41 | H411 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.4° | 109.4° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H4 | C21 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C3 | C31 | O32 | 178.3° | 179.9° |
| O31 | C3 | C31 | C22 | 64.3° | 0.0° |
| O31 | C3 | C31 | C32 | 170.6° | 120.0° |
| O31 | C3 | O32 | H2 | 0.0° | 0.0° |
| O31 | C3 | C31 | H31 | 53.2° | 119.9° |
| C2 | C21 | C22 | H4 | 119.6° | 120.1° |
| C2 | C21 | C22 | H21 | 119.6° | 120.0° |
| C21 | C2 | O21 | O22 | 173.4° | 179.9° |
| C2 | C21 | C22 | C31 | 155.8° | 180.0° |
| C2 | C21 | C22 | H221 | 35.3° | 60.0° |
| C2 | C21 | C22 | H222 | 83.9° | 60.0° |
| C21 | C2 | O22 | H3 | 173.6° | 180.0° |
| C2 | C21 | H4 | H21 | 121.1° | 120.0° |
| C22 | C21 | C2 | O21 | 97.6° | 0.1° |
| C22 | C21 | C2 | O22 | 76.3° | 180.0° |
| C21 | C22 | C31 | C3 | 50.0° | 65.0° |
| C21 | C22 | C31 | H221 | 120.4° | 120.0° |
| C21 | C22 | C31 | H222 | 120.4° | 120.0° |
| C21 | C22 | C31 | C32 | 172.0° | 175.0° |
| C21 | C22 | H221 | H222 | 118.7° | 120.0° |
| C22 | C21 | H4 | H21 | 121.1° | 120.0° |
| C21 | C22 | C31 | H31 | 67.5° | 55.0° |
| O21 | C2 | O22 | H3 | 0.0° | 0.1° |
| O21 | C2 | C21 | H4 | 142.7° | 119.9° |
| O21 | C2 | C21 | H21 | 22.0° | 120.1° |
| O22 | C2 | C21 | H4 | 43.3° | 60.0° |
| O22 | C2 | C21 | H21 | 164.1° | 60.0° |
| C3 | C31 | C22 | C32 | 122.0° | 120.0° |
| C3 | C31 | C22 | H31 | 117.5° | 120.0° |
| C3 | C31 | C32 | H31 | 117.5° | 120.1° |
| C3 | C31 | C32 | C41 | 64.2° | 65.0° |
| C3 | C31 | C32 | H322 | 56.4° | 55.0° |
| C3 | C31 | C32 | H321 | 175.2° | 175.0° |
| C31 | C3 | O32 | H2 | 178.2° | 180.0° |
| C3 | C31 | C22 | H221 | 70.4° | 175.0° |
| C3 | C31 | C22 | H222 | 170.4° | 55.0° |
| O32 | C3 | C31 | C22 | 114.0° | 180.0° |
| O32 | C3 | C31 | C32 | 11.0° | 60.0° |
| O32 | C3 | C31 | H31 | 128.5° | 60.0° |
| C22 | C31 | C32 | H31 | 120.5° | 120.0° |
| C22 | C31 | C32 | C41 | 173.8° | 175.0° |
| C22 | C31 | C32 | H322 | 65.5° | 65.0° |
| C22 | C31 | C32 | H321 | 53.2° | 55.0° |
| C31 | C22 | H221 | H222 | 118.8° | 120.0° |
| C31 | C22 | C21 | H4 | 84.6° | 60.0° |
| C31 | C22 | C21 | H21 | 36.2° | 60.0° |
| C31 | C32 | C41 | H322 | 120.7° | 120.0° |
| C31 | C32 | C41 | H321 | 120.6° | 120.0° |
| C31 | C32 | C41 | C4 | 132.4° | 180.0° |
| C31 | C32 | C41 | H412 | 106.5° | 60.1° |
| C31 | C32 | C41 | H411 | 11.4° | 60.0° |
| C31 | C32 | H322 | H321 | 118.0° | 120.1° |
| C32 | C31 | C22 | H221 | 51.6° | 55.0° |
| C32 | C31 | C22 | H222 | 67.6° | 65.0° |
| C32 | C41 | C4 | H412 | 121.0° | 120.0° |
| C32 | C41 | C4 | H411 | 121.0° | 120.0° |
| C32 | C41 | C4 | O42 | 21.1° | 0.0° |
| C32 | C41 | C4 | O41 | 158.1° | 180.0° |
| C32 | C41 | H412 | H411 | 116.8° | 120.1° |
| C41 | C32 | H322 | H321 | 118.0° | 120.0° |
| C41 | C32 | C31 | H31 | 53.3° | 55.0° |
| C41 | C4 | O42 | O41 | 179.2° | 179.9° |
| C41 | C4 | O41 | H1 | 179.2° | 180.0° |
| C4 | C41 | H412 | H411 | 116.8° | 120.0° |
| C4 | C41 | C32 | H322 | 11.8° | 60.0° |
| C4 | C41 | C32 | H321 | 106.9° | 60.0° |
| O42 | C4 | O41 | H1 | 0.0° | 0.1° |
| O42 | C4 | C41 | H412 | 142.1° | 119.9° |
| O42 | C4 | C41 | H411 | 99.9° | 120.0° |
| O41 | C4 | C41 | H412 | 37.1° | 60.0° |
| O41 | C4 | C41 | H411 | 80.9° | 60.0° |
| H412 | C41 | C32 | H322 | 132.8° | 179.9° |
| H412 | C41 | C32 | H321 | 14.1° | 60.0° |
| H411 | C41 | C32 | H322 | 109.2° | 60.0° |
| H411 | C41 | C32 | H321 | 132.1° | 179.9° |
| H322 | C32 | C31 | H31 | 174.0° | 175.0° |
| H321 | C32 | C31 | H31 | 67.3° | 65.0° |
| H221 | C22 | C21 | H4 | 154.9° | 60.1° |
| H221 | C22 | C21 | H21 | 84.3° | 180.0° |
| H221 | C22 | C31 | H31 | 172.1° | 65.0° |
| H222 | C22 | C21 | H4 | 35.8° | 180.0° |
| H222 | C22 | C21 | H21 | 156.5° | 60.0° |
| H222 | C22 | C31 | H31 | 52.9° | 175.0° |
