BFQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P1 | O2 | sing | 1.61Å | 1.49Å | |
| P1 | O3 | sing | 1.61Å | 1.57Å | |
| P1 | O5 | doub | 1.48Å | 1.59Å | |
| P1 | C7 | sing | 1.82Å | 1.82Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C7 | P8 | sing | 1.82Å | 1.83Å | |
| C7 | O14 | sing | 1.43Å | 1.43Å | |
| C7 | C16 | sing | 1.53Å | 1.56Å | |
| P8 | O9 | doub | 1.48Å | 1.48Å | |
| P8 | O10 | sing | 1.61Å | 1.59Å | |
| P8 | O12 | sing | 1.61Å | 1.59Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| C16 | C19 | sing | 1.53Å | 1.58Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C19 | N22 | sing | 1.47Å | 1.49Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| N22 | C23 | sing | 1.47Å | 1.47Å | |
| N22 | C39 | sing | 1.47Å | 1.47Å | |
| C23 | C26 | sing | 1.53Å | 1.55Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C26 | C29 | sing | 1.53Å | 1.55Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C29 | C32 | sing | 1.53Å | 1.53Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C32 | C35 | sing | 1.53Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | P1 | O3 | 110.4° | 109.5° |
| O2 | P1 | O5 | 113.2° | 109.5° |
| O2 | P1 | C7 | 112.4° | 109.5° |
| P1 | O2 | HO2 | 109.5° | 106.8° |
| O3 | P1 | O5 | 106.3° | 109.5° |
| O3 | P1 | C7 | 107.0° | 109.5° |
| P1 | O3 | HO3 | 109.5° | 106.8° |
| O5 | P1 | C7 | 107.1° | 109.5° |
| P1 | C7 | P8 | 108.7° | 109.5° |
| P1 | C7 | O14 | 109.6° | 109.5° |
| P1 | C7 | C16 | 110.1° | 109.5° |
| P8 | C7 | O14 | 108.9° | 109.5° |
| P8 | C7 | C16 | 109.8° | 109.5° |
| C7 | P8 | O9 | 115.1° | 109.4° |
| C7 | P8 | O10 | 104.3° | 109.5° |
| C7 | P8 | O12 | 104.6° | 109.5° |
| O14 | C7 | C16 | 109.7° | 109.5° |
| C7 | O14 | HO14 | 109.5° | 106.8° |
| C7 | C16 | C19 | 112.8° | 109.5° |
| C7 | C16 | H161 | 107.6° | 109.5° |
| C7 | C16 | H162 | 108.4° | 109.5° |
| O9 | P8 | O10 | 114.2° | 109.5° |
| O9 | P8 | O12 | 111.8° | 109.5° |
| O10 | P8 | O12 | 105.9° | 109.5° |
| P8 | O10 | HO10 | 109.5° | 106.8° |
| P8 | O12 | HO12 | 109.5° | 106.8° |
| C19 | C16 | H161 | 107.6° | 109.5° |
| C19 | C16 | H162 | 108.4° | 109.5° |
| C16 | C19 | N22 | 116.6° | 109.5° |
| C16 | C19 | H191 | 105.5° | 109.4° |
| C16 | C19 | H192 | 107.1° | 109.5° |
| H161 | C16 | H162 | 112.1° | 109.4° |
| N22 | C19 | H191 | 105.5° | 109.5° |
| N22 | C19 | H192 | 107.1° | 109.5° |
| C19 | N22 | C23 | 114.6° | 106.7° |
| C19 | N22 | C39 | 112.9° | 106.6° |
| H191 | C19 | H192 | 115.3° | 109.5° |
| C23 | N22 | C39 | 111.3° | 106.7° |
| N22 | C23 | C26 | 112.8° | 109.4° |
| N22 | C23 | H231 | 107.6° | 109.5° |
| N22 | C23 | H232 | 108.4° | 109.5° |
| N22 | C39 | H391 | 109.5° | 109.5° |
| N22 | C39 | H392 | 109.5° | 109.4° |
| N22 | C39 | H393 | 109.5° | 109.5° |
| C26 | C23 | H231 | 107.6° | 109.5° |
| C26 | C23 | H232 | 108.4° | 109.4° |
| C23 | C26 | C29 | 105.7° | 109.5° |
| C23 | C26 | H261 | 111.6° | 109.5° |
| C23 | C26 | H262 | 110.8° | 109.5° |
| H231 | C23 | H232 | 112.1° | 109.5° |
| C29 | C26 | H261 | 111.6° | 109.5° |
| C29 | C26 | H262 | 110.8° | 109.5° |
| C26 | C29 | C32 | 113.2° | 109.4° |
| C26 | C29 | H291 | 107.4° | 109.4° |
| C26 | C29 | H292 | 108.2° | 109.5° |
| H261 | C26 | H262 | 106.5° | 109.5° |
| C32 | C29 | H291 | 107.4° | 109.5° |
| C32 | C29 | H292 | 108.2° | 109.5° |
| C29 | C32 | C35 | 108.0° | 109.5° |
| C29 | C32 | H321 | 110.3° | 109.5° |
| C29 | C32 | H322 | 110.0° | 109.5° |
| H291 | C29 | H292 | 112.5° | 109.5° |
| C35 | C32 | H321 | 110.3° | 109.4° |
| C35 | C32 | H322 | 110.0° | 109.5° |
| C32 | C35 | H351 | 109.5° | 109.5° |
| C32 | C35 | H352 | 109.4° | 109.5° |
| C32 | C35 | H353 | 109.5° | 109.4° |
| H321 | C32 | H322 | 108.4° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.4° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.4° |
| H391 | C39 | H392 | 109.4° | 109.4° |
| H391 | C39 | H393 | 109.5° | 109.4° |
| H392 | C39 | H393 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | P1 | O3 | O5 | 123.2° | 120.0° |
| O2 | P1 | O3 | C7 | 122.6° | 120.0° |
| O2 | P1 | O5 | C7 | 124.4° | 120.0° |
| O2 | P1 | O3 | HO3 | 69.3° | 60.0° |
| O2 | P1 | C7 | P8 | 55.2° | 60.0° |
| O2 | P1 | C7 | O14 | 174.2° | 180.0° |
| O2 | P1 | C7 | C16 | 65.1° | 60.0° |
| O3 | P1 | O5 | C7 | 114.2° | 120.0° |
| O3 | P1 | O2 | HO2 | 123.6° | 60.0° |
| O3 | P1 | C7 | P8 | 66.1° | 180.0° |
| O3 | P1 | C7 | O14 | 52.9° | 60.0° |
| O3 | P1 | C7 | C16 | 173.6° | 60.0° |
| O5 | P1 | O2 | HO2 | 4.5° | 60.0° |
| O5 | P1 | O3 | HO3 | 53.8° | 180.0° |
| O5 | P1 | C7 | P8 | 179.8° | 60.0° |
| O5 | P1 | C7 | O14 | 60.9° | 60.0° |
| O5 | P1 | C7 | C16 | 59.9° | 180.0° |
| C7 | P1 | O2 | HO2 | 117.0° | 180.0° |
| C7 | P1 | O3 | HO3 | 168.1° | 60.0° |
| P1 | C7 | P8 | O14 | 119.4° | 120.0° |
| P1 | C7 | P8 | C16 | 120.5° | 120.0° |
| P1 | C7 | O14 | C16 | 121.0° | 120.0° |
| P1 | C7 | P8 | O9 | 57.3° | 66.7° |
| P1 | C7 | P8 | O10 | 176.8° | 53.3° |
| P1 | C7 | P8 | O12 | 65.8° | 173.3° |
| P1 | C7 | O14 | HO14 | 115.1° | 60.0° |
| P1 | C7 | C16 | C19 | 126.6° | 55.3° |
| P1 | C7 | C16 | H161 | 8.0° | 175.3° |
| P1 | C7 | C16 | H162 | 113.4° | 64.7° |
| P8 | C7 | O14 | C16 | 120.2° | 120.0° |
| C7 | P8 | O9 | O10 | 120.6° | 120.0° |
| C7 | P8 | O9 | O12 | 119.2° | 120.0° |
| C7 | P8 | O10 | O12 | 110.1° | 120.0° |
| C7 | P8 | O10 | HO10 | 127.6° | 180.0° |
| C7 | P8 | O12 | HO12 | 52.3° | 65.2° |
| P8 | C7 | O14 | HO14 | 3.7° | 180.0° |
| P8 | C7 | C16 | C19 | 113.8° | 64.6° |
| P8 | C7 | C16 | H161 | 127.6° | 55.4° |
| P8 | C7 | C16 | H162 | 6.2° | 175.3° |
| O14 | C7 | P8 | O9 | 176.7° | 53.3° |
| O14 | C7 | P8 | O10 | 57.4° | 173.3° |
| O14 | C7 | P8 | O12 | 53.6° | 66.7° |
| O14 | C7 | C16 | C19 | 5.9° | 175.4° |
| O14 | C7 | C16 | H161 | 112.7° | 64.6° |
| O14 | C7 | C16 | H162 | 125.9° | 55.3° |
| C16 | C7 | P8 | O9 | 63.1° | 173.3° |
| C16 | C7 | P8 | O10 | 62.7° | 66.7° |
| C16 | C7 | P8 | O12 | 173.7° | 53.3° |
| C16 | C7 | O14 | HO14 | 123.9° | 60.0° |
| C7 | C16 | C19 | H161 | 118.5° | 120.0° |
| C7 | C16 | C19 | H162 | 120.0° | 120.1° |
| C7 | C16 | H161 | H162 | 119.1° | 120.0° |
| C7 | C16 | C19 | N22 | 88.7° | 174.2° |
| C7 | C16 | C19 | H191 | 28.0° | 65.8° |
| C7 | C16 | C19 | H192 | 151.4° | 54.2° |
| O9 | P8 | O10 | O12 | 123.5° | 120.0° |
| O9 | P8 | O10 | HO10 | 106.0° | 60.0° |
| O9 | P8 | O12 | HO12 | 72.9° | 174.9° |
| O10 | P8 | O12 | HO12 | 162.1° | 54.8° |
| O12 | P8 | O10 | HO10 | 17.5° | 60.0° |
| C19 | C16 | H161 | H162 | 119.1° | 120.0° |
| C16 | C19 | N22 | H191 | 116.7° | 120.0° |
| C16 | C19 | N22 | H192 | 120.0° | 120.0° |
| C16 | C19 | H191 | H192 | 118.0° | 120.0° |
| C16 | C19 | N22 | C23 | 41.2° | 170.1° |
| C16 | C19 | N22 | C39 | 87.7° | 76.2° |
| H161 | C16 | C19 | N22 | 152.8° | 54.2° |
| H161 | C16 | C19 | H191 | 90.5° | 174.2° |
| H161 | C16 | C19 | H192 | 32.8° | 65.8° |
| H162 | C16 | C19 | N22 | 31.3° | 65.8° |
| H162 | C16 | C19 | H191 | 148.0° | 54.2° |
| H162 | C16 | C19 | H192 | 88.6° | 174.2° |
| N22 | C19 | H191 | H192 | 118.0° | 120.0° |
| C19 | N22 | C23 | C39 | 129.7° | 113.7° |
| C19 | N22 | C23 | C26 | 110.8° | 170.0° |
| C19 | N22 | C23 | H231 | 7.7° | 70.0° |
| C19 | N22 | C23 | H232 | 129.2° | 50.1° |
| C19 | N22 | C39 | H391 | 12.2° | 66.3° |
| C19 | N22 | C39 | H392 | 132.1° | 173.8° |
| C19 | N22 | C39 | H393 | 107.9° | 53.8° |
| H191 | C19 | N22 | C23 | 157.9° | 70.0° |
| H191 | C19 | N22 | C39 | 29.0° | 43.8° |
| H192 | C19 | N22 | C23 | 78.8° | 50.0° |
| H192 | C19 | N22 | C39 | 152.3° | 163.8° |
| N22 | C23 | C26 | H231 | 118.5° | 120.1° |
| N22 | C23 | C26 | H232 | 120.0° | 120.0° |
| N22 | C23 | H231 | H232 | 119.1° | 120.1° |
| N22 | C23 | C26 | C29 | 132.1° | 180.0° |
| N22 | C23 | C26 | H261 | 106.5° | 60.0° |
| N22 | C23 | C26 | H262 | 12.1° | 60.1° |
| C23 | N22 | C39 | H391 | 142.7° | 180.0° |
| C23 | N22 | C39 | H392 | 97.3° | 60.0° |
| C23 | N22 | C39 | H393 | 22.7° | 59.9° |
| C39 | N22 | C23 | C26 | 119.5° | 76.3° |
| C39 | N22 | C23 | H231 | 122.0° | 43.7° |
| C39 | N22 | C23 | H232 | 0.5° | 163.8° |
| N22 | C39 | H391 | H392 | 120.0° | 120.0° |
| N22 | C39 | H391 | H393 | 120.1° | 120.1° |
| N22 | C39 | H392 | H393 | 120.1° | 120.0° |
| C26 | C23 | H231 | H232 | 119.1° | 119.9° |
| C23 | C26 | C29 | H261 | 121.5° | 120.0° |
| C23 | C26 | C29 | H262 | 120.0° | 120.0° |
| C23 | C26 | H261 | H262 | 121.0° | 120.0° |
| C23 | C26 | C29 | C32 | 165.2° | 180.0° |
| C23 | C26 | C29 | H291 | 76.5° | 60.0° |
| C23 | C26 | C29 | H292 | 45.2° | 60.0° |
| H231 | C23 | C26 | C29 | 13.5° | 60.0° |
| H231 | C23 | C26 | H261 | 135.0° | 180.0° |
| H231 | C23 | C26 | H262 | 106.5° | 60.0° |
| H232 | C23 | C26 | C29 | 107.9° | 60.0° |
| H232 | C23 | C26 | H261 | 13.5° | 60.0° |
| H232 | C23 | C26 | H262 | 132.1° | 180.0° |
| C29 | C26 | H261 | H262 | 121.0° | 120.0° |
| C26 | C29 | C32 | H291 | 118.4° | 119.9° |
| C26 | C29 | C32 | H292 | 120.0° | 120.0° |
| C26 | C29 | H291 | H292 | 118.9° | 120.0° |
| C26 | C29 | C32 | C35 | 171.6° | 180.0° |
| C26 | C29 | C32 | H321 | 67.8° | 60.1° |
| C26 | C29 | C32 | H322 | 51.6° | 60.0° |
| H261 | C26 | C29 | C32 | 43.7° | 60.1° |
| H261 | C26 | C29 | H291 | 162.1° | 180.0° |
| H261 | C26 | C29 | H292 | 76.3° | 60.0° |
| H262 | C26 | C29 | C32 | 74.8° | 60.0° |
| H262 | C26 | C29 | H291 | 43.6° | 60.0° |
| H262 | C26 | C29 | H292 | 165.2° | 180.0° |
| C32 | C29 | H291 | H292 | 119.0° | 120.1° |
| C29 | C32 | C35 | H321 | 120.6° | 120.0° |
| C29 | C32 | C35 | H322 | 120.0° | 120.0° |
| C29 | C32 | H321 | H322 | 120.4° | 120.1° |
| C29 | C32 | C35 | H351 | 30.9° | 180.0° |
| C29 | C32 | C35 | H352 | 150.9° | 59.9° |
| C29 | C32 | C35 | H353 | 89.1° | 60.0° |
| H291 | C29 | C32 | C35 | 53.3° | 60.1° |
| H291 | C29 | C32 | H321 | 173.8° | 180.0° |
| H291 | C29 | C32 | H322 | 66.7° | 59.9° |
| H292 | C29 | C32 | C35 | 68.4° | 60.0° |
| H292 | C29 | C32 | H321 | 52.2° | 60.0° |
| H292 | C29 | C32 | H322 | 171.6° | 180.0° |
| C35 | C32 | H321 | H322 | 120.4° | 120.0° |
| C32 | C35 | H351 | H352 | 120.0° | 120.0° |
| C32 | C35 | H351 | H353 | 120.0° | 120.0° |
| C32 | C35 | H352 | H353 | 120.0° | 119.9° |
| H321 | C32 | C35 | H351 | 89.7° | 60.0° |
| H321 | C32 | C35 | H352 | 30.3° | 60.1° |
| H321 | C32 | C35 | H353 | 150.3° | 180.0° |
| H322 | C32 | C35 | H351 | 150.9° | 60.0° |
| H322 | C32 | C35 | H352 | 89.1° | 180.0° |
| H322 | C32 | C35 | H353 | 30.9° | 60.0° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| H391 | C39 | H392 | H393 | 120.0° | 119.9° |
