B6P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | N7 | doub | 1.30Å | 1.37Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | N9 | sing | 1.46Å | 1.47Å | |
| O2A | PA | doub | 1.48Å | 1.52Å | |
| O3A | PA | sing | 1.61Å | 1.69Å | |
| PA | O1A | sing | 1.61Å | 1.49Å | |
| PA | O51 | sing | 1.61Å | 1.59Å | |
| O1B | PB | doub | 1.48Å | 1.50Å | |
| O3B | PB | sing | 1.61Å | 1.61Å | |
| PB | O2B | sing | 1.61Å | 1.50Å | |
| PB | O3A | sing | 1.61Å | 1.67Å | |
| O2D | PD | doub | 1.48Å | 1.53Å | |
| O1D | PD | sing | 1.61Å | 1.54Å | |
| PD | O3D | sing | 1.61Å | 1.63Å | |
| PD | O3G | sing | 1.61Å | 1.64Å | |
| O3E | PE | sing | 1.61Å | 1.52Å | |
| O1E | PE | doub | 1.48Å | 1.52Å | |
| PE | O3D | sing | 1.61Å | 1.64Å | |
| PE | O2E | sing | 1.61Å | 1.53Å | |
| O3G | PG | sing | 1.61Å | 1.63Å | |
| O2G | PG | doub | 1.48Å | 1.53Å | |
| PG | O1G | sing | 1.61Å | 1.54Å | |
| PG | O3B | sing | 1.61Å | 1.62Å | |
| O52 | PZ | sing | 1.61Å | 1.59Å | |
| O2Z | PZ | doub | 1.48Å | 1.52Å | |
| PZ | O1Z | sing | 1.61Å | 1.49Å | |
| PZ | O3E | sing | 1.61Å | 1.51Å | |
| O41 | C11 | sing | 1.44Å | 1.45Å | |
| C21 | C11 | sing | 1.55Å | 1.50Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | C12 | sing | 1.54Å | 1.50Å | |
| C12 | N9Y | sing | 1.47Å | 1.48Å | |
| C12 | O42 | sing | 1.44Å | 1.45Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| O1D | HO1D | sing | 0.97Å | 0.95Å | |
| O1G | HO1G | sing | 0.97Å | 0.95Å | |
| C2Y | N1Y | doub | 1.32Å | 1.34Å | Aromatic |
| N1Y | C6Y | sing | 1.33Å | 1.36Å | Aromatic |
| O1Z | HO1Z | sing | 0.97Å | 0.95Å | |
| C31 | C21 | sing | 1.55Å | 1.53Å | |
| C21 | O21 | sing | 1.43Å | 1.44Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| O22 | C22 | sing | 1.43Å | 1.44Å | |
| C22 | C32 | sing | 1.54Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| O2E | HO2E | sing | 0.97Å | 0.95Å | |
| C2Y | N3Y | sing | 1.32Å | 1.36Å | Aromatic |
| C2Y | H2Y | sing | 1.08Å | 1.08Å | |
| C41 | C31 | sing | 1.54Å | 1.55Å | |
| C31 | O31 | sing | 1.43Å | 1.43Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| O32 | C32 | sing | 1.43Å | 1.43Å | |
| C32 | C42 | sing | 1.54Å | 1.55Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| N3Y | C4Y | doub | 1.33Å | 1.35Å | Aromatic |
| C51 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | O41 | sing | 1.44Å | 1.42Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| O42 | C42 | sing | 1.44Å | 1.42Å | |
| C42 | C52 | sing | 1.53Å | 1.53Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C4Y | N9Y | sing | 1.37Å | 1.35Å | Aromatic |
| C4Y | C5Y | sing | 1.41Å | 1.38Å | Aromatic |
| O51 | C51 | sing | 1.43Å | 1.43Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| O52 | C52 | sing | 1.43Å | 1.43Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C6Y | C5Y | doub | 1.41Å | 1.39Å | Aromatic |
| C5Y | N7Y | sing | 1.35Å | 1.38Å | Aromatic |
| C6Y | N6Y | sing | 1.38Å | 1.34Å | |
| N6Y | HN6Y | sing | 0.97Å | 1.00Å | |
| N6Y | HN6B | sing | 0.97Å | 1.00Å | |
| C8Y | N7Y | doub | 1.30Å | 1.37Å | Aromatic |
| N9Y | C8Y | sing | 1.36Å | 1.34Å | Aromatic |
| C8Y | H8Y | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 120.6° | 121.2° |
| N1 | C6 | C5 | 119.6° | 118.5° |
| N1 | C6 | N6 | 122.1° | 120.8° |
| N1 | C2 | N3 | 121.4° | 122.5° |
| N1 | C2 | H2 | 119.3° | 118.7° |
| N3 | C2 | H2 | 119.3° | 118.8° |
| C2 | N3 | C4 | 118.8° | 120.7° |
| N3 | C4 | N9 | 130.8° | 134.9° |
| N3 | C4 | C5 | 121.7° | 119.0° |
| N9 | C4 | C5 | 107.5° | 106.0° |
| C4 | N9 | C8 | 108.7° | 107.5° |
| C4 | N9 | C11 | 122.9° | 126.3° |
| C4 | C5 | N7 | 108.0° | 107.1° |
| C4 | C5 | C6 | 117.7° | 118.2° |
| N7 | C5 | C6 | 134.1° | 134.7° |
| C5 | N7 | C8 | 106.0° | 109.4° |
| C5 | C6 | N6 | 118.3° | 120.7° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| N7 | C8 | N9 | 109.8° | 110.0° |
| N7 | C8 | H8 | 125.1° | 125.0° |
| N9 | C8 | H8 | 125.1° | 125.0° |
| C8 | N9 | C11 | 128.4° | 126.3° |
| N9 | C11 | O41 | 106.7° | 110.6° |
| N9 | C11 | C21 | 113.5° | 110.6° |
| N9 | C11 | H11 | 107.1° | 110.5° |
| O2A | PA | O3A | 107.4° | 109.5° |
| O2A | PA | O1A | 119.6° | 109.5° |
| O2A | PA | O51 | 108.4° | 109.5° |
| O3A | PA | O1A | 106.6° | 109.4° |
| O3A | PA | O51 | 99.1° | 109.5° |
| PA | O3A | PB | 131.9° | 134.0° |
| O1A | PA | O51 | 113.5° | 109.5° |
| PA | O1A | HO1A | 109.5° | 114.0° |
| PA | O51 | C51 | 118.2° | 123.0° |
| O1B | PB | O3B | 111.7° | 109.5° |
| O1B | PB | O2B | 113.3° | 109.5° |
| O1B | PB | O3A | 107.9° | 109.4° |
| O3B | PB | O2B | 101.7° | 109.5° |
| O3B | PB | O3A | 106.7° | 109.4° |
| PB | O3B | PG | 122.6° | 134.0° |
| O2B | PB | O3A | 115.2° | 109.5° |
| PB | O2B | HO2B | 109.5° | 114.0° |
| O2D | PD | O1D | 118.9° | 109.5° |
| O2D | PD | O3D | 111.1° | 109.5° |
| O2D | PD | O3G | 102.9° | 109.4° |
| O1D | PD | O3D | 108.7° | 109.5° |
| O1D | PD | O3G | 106.4° | 109.5° |
| PD | O1D | HO1D | 109.5° | 114.0° |
| O3D | PD | O3G | 108.1° | 109.5° |
| PD | O3D | PE | 125.2° | 134.0° |
| PD | O3G | PG | 126.3° | 134.0° |
| O3E | PE | O1E | 112.0° | 109.5° |
| O3E | PE | O3D | 106.9° | 109.5° |
| O3E | PE | O2E | 113.3° | 109.5° |
| PE | O3E | PZ | 127.9° | 134.0° |
| O1E | PE | O3D | 106.5° | 109.5° |
| O1E | PE | O2E | 115.3° | 109.5° |
| O3D | PE | O2E | 101.8° | 109.5° |
| PE | O2E | HO2E | 109.5° | 114.0° |
| O3G | PG | O2G | 111.9° | 109.5° |
| O3G | PG | O1G | 111.9° | 109.5° |
| O3G | PG | O3B | 100.8° | 109.4° |
| O2G | PG | O1G | 117.3° | 109.5° |
| O2G | PG | O3B | 109.2° | 109.5° |
| O1G | PG | O3B | 104.1° | 109.5° |
| PG | O1G | HO1G | 109.5° | 114.0° |
| O52 | PZ | O2Z | 108.4° | 109.5° |
| O52 | PZ | O1Z | 113.5° | 109.5° |
| O52 | PZ | O3E | 94.5° | 109.4° |
| PZ | O52 | C52 | 118.2° | 123.0° |
| O2Z | PZ | O1Z | 119.6° | 109.5° |
| O2Z | PZ | O3E | 118.5° | 109.5° |
| O1Z | PZ | O3E | 99.6° | 109.5° |
| PZ | O1Z | HO1Z | 109.5° | 114.0° |
| O41 | C11 | C21 | 104.3° | 103.6° |
| O41 | C11 | H11 | 115.9° | 110.6° |
| C11 | O41 | C41 | 113.1° | 107.0° |
| C21 | C11 | H11 | 109.5° | 110.6° |
| C11 | C21 | C31 | 99.3° | 102.1° |
| C11 | C21 | O21 | 113.6° | 110.9° |
| C11 | C21 | H21 | 116.3° | 110.9° |
| C22 | C12 | N9Y | 113.6° | 110.4° |
| C22 | C12 | O42 | 104.3° | 104.8° |
| C22 | C12 | H12 | 109.4° | 110.5° |
| C12 | C22 | O22 | 113.6° | 110.5° |
| C12 | C22 | C32 | 99.3° | 104.1° |
| C12 | C22 | H22 | 116.3° | 110.5° |
| N9Y | C12 | O42 | 106.8° | 110.3° |
| N9Y | C12 | H12 | 107.0° | 110.4° |
| C12 | N9Y | C4Y | 122.9° | 126.2° |
| C12 | N9Y | C8Y | 128.4° | 126.3° |
| O42 | C12 | H12 | 116.0° | 110.4° |
| C12 | O42 | C42 | 113.1° | 105.2° |
| C2Y | N1Y | C6Y | 120.6° | 121.2° |
| N1Y | C2Y | N3Y | 121.4° | 122.4° |
| N1Y | C2Y | H2Y | 119.3° | 118.7° |
| N1Y | C6Y | C5Y | 119.6° | 118.5° |
| N1Y | C6Y | N6Y | 122.1° | 120.8° |
| C31 | C21 | O21 | 116.7° | 110.9° |
| C31 | C21 | H21 | 113.1° | 111.0° |
| C21 | C31 | C41 | 104.6° | 104.2° |
| C21 | C31 | O31 | 111.9° | 110.5° |
| C21 | C31 | H31 | 111.8° | 110.5° |
| O21 | C21 | H21 | 98.8° | 110.8° |
| C21 | O21 | HO21 | 109.5° | 114.0° |
| O22 | C22 | C32 | 116.7° | 110.5° |
| O22 | C22 | H22 | 98.7° | 110.6° |
| C22 | O22 | HO22 | 109.5° | 114.0° |
| C32 | C22 | H22 | 113.1° | 110.5° |
| C22 | C32 | O32 | 111.9° | 110.5° |
| C22 | C32 | C42 | 104.6° | 104.1° |
| C22 | C32 | H32 | 111.8° | 110.5° |
| N3Y | C2Y | H2Y | 119.3° | 118.8° |
| C2Y | N3Y | C4Y | 118.8° | 120.7° |
| C41 | C31 | O31 | 111.3° | 110.5° |
| C41 | C31 | H31 | 112.4° | 110.6° |
| C31 | C41 | C51 | 112.6° | 109.9° |
| C31 | C41 | O41 | 101.9° | 107.3° |
| C31 | C41 | H41 | 111.8° | 109.9° |
| O31 | C31 | H31 | 105.1° | 110.4° |
| C31 | O31 | HO31 | 109.5° | 114.0° |
| O32 | C32 | C42 | 111.3° | 110.5° |
| O32 | C32 | H32 | 105.1° | 110.5° |
| C32 | O32 | HO32 | 109.5° | 114.0° |
| C42 | C32 | H32 | 112.4° | 110.6° |
| C32 | C42 | O42 | 101.9° | 104.8° |
| C32 | C42 | C52 | 112.6° | 110.4° |
| C32 | C42 | H42 | 111.8° | 110.4° |
| N3Y | C4Y | N9Y | 130.7° | 134.9° |
| N3Y | C4Y | C5Y | 121.8° | 119.1° |
| C51 | C41 | O41 | 107.6° | 110.0° |
| C51 | C41 | H41 | 106.5° | 110.0° |
| C41 | C51 | O51 | 105.5° | 109.5° |
| C41 | C51 | H51 | 110.8° | 109.5° |
| C41 | C51 | H51A | 110.8° | 109.5° |
| O41 | C41 | H41 | 116.5° | 109.7° |
| O42 | C42 | C52 | 107.6° | 110.3° |
| O42 | C42 | H42 | 116.5° | 110.4° |
| C52 | C42 | H42 | 106.5° | 110.4° |
| C42 | C52 | O52 | 105.5° | 109.5° |
| C42 | C52 | H52 | 110.8° | 109.4° |
| C42 | C52 | H52A | 110.8° | 109.5° |
| N9Y | C4Y | C5Y | 107.4° | 106.0° |
| C4Y | N9Y | C8Y | 108.7° | 107.4° |
| C4Y | C5Y | C6Y | 117.7° | 118.2° |
| C4Y | C5Y | N7Y | 108.0° | 107.1° |
| O51 | C51 | H51 | 110.8° | 109.4° |
| O51 | C51 | H51A | 110.8° | 109.5° |
| H51 | C51 | H51A | 108.1° | 109.4° |
| O52 | C52 | H52 | 110.8° | 109.4° |
| O52 | C52 | H52A | 110.8° | 109.5° |
| H52 | C52 | H52A | 108.1° | 109.5° |
| C6Y | C5Y | N7Y | 134.1° | 134.7° |
| C5Y | C6Y | N6Y | 118.2° | 120.7° |
| C5Y | N7Y | C8Y | 106.0° | 109.5° |
| C6Y | N6Y | HN6Y | 109.5° | 120.0° |
| C6Y | N6Y | HN6B | 109.4° | 120.0° |
| HN6Y | N6Y | HN6B | 109.5° | 120.0° |
| N7Y | C8Y | N9Y | 109.8° | 110.0° |
| N7Y | C8Y | H8Y | 125.1° | 125.1° |
| N9Y | C8Y | H8Y | 125.1° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | N3 | 1.4° | 0.0° |
| C6 | N1 | C2 | H2 | 178.6° | 180.0° |
| N1 | C6 | C5 | C4 | 1.7° | 0.1° |
| N1 | C6 | C5 | N7 | 176.4° | 180.0° |
| N1 | C6 | C5 | N6 | 179.3° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 0.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.0° |
| C2 | N1 | C6 | C5 | 0.5° | 0.0° |
| C2 | N1 | C6 | N6 | 179.8° | 180.0° |
| C2 | N3 | C4 | N9 | 179.1° | 180.0° |
| C2 | N3 | C4 | C5 | 2.6° | 0.0° |
| H2 | C2 | N3 | C4 | 179.8° | 180.0° |
| N3 | C4 | N9 | C5 | 178.5° | 179.9° |
| N3 | C4 | C5 | N7 | 179.3° | 180.0° |
| N3 | C4 | C5 | C6 | 3.4° | 0.1° |
| N3 | C4 | N9 | C8 | 179.2° | 179.9° |
| N3 | C4 | N9 | C11 | 0.8° | 0.0° |
| N9 | C4 | C5 | N7 | 2.0° | 0.1° |
| N9 | C4 | C5 | C6 | 178.0° | 180.0° |
| C4 | N9 | C8 | N7 | 0.8° | 0.0° |
| C4 | N9 | C8 | C11 | 178.3° | 180.0° |
| C4 | N9 | C8 | H8 | 179.2° | 180.0° |
| C4 | N9 | C11 | O41 | 143.5° | 158.6° |
| C4 | N9 | C11 | C21 | 102.2° | 87.2° |
| C4 | N9 | C11 | H11 | 18.7° | 35.7° |
| C4 | C5 | N7 | C6 | 175.0° | 179.9° |
| C4 | C5 | C6 | N6 | 177.6° | 179.9° |
| C4 | C5 | N7 | C8 | 2.5° | 0.1° |
| C5 | C4 | N9 | C8 | 0.7° | 0.0° |
| C5 | C4 | N9 | C11 | 177.7° | 180.0° |
| N7 | C5 | C6 | N6 | 2.9° | 0.1° |
| C5 | N7 | C8 | N9 | 2.0° | 0.1° |
| C5 | N7 | C8 | H8 | 178.0° | 180.0° |
| C5 | C6 | N6 | HN6 | 179.3° | 0.0° |
| C5 | C6 | N6 | HN6A | 60.7° | 180.0° |
| C6 | C5 | N7 | C8 | 177.5° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C11 | 179.2° | 180.0° |
| C8 | N9 | C11 | O41 | 34.6° | 21.4° |
| C8 | N9 | C11 | C21 | 79.7° | 92.8° |
| C8 | N9 | C11 | H11 | 159.4° | 144.3° |
| H8 | C8 | N9 | C11 | 0.8° | 0.0° |
| N9 | C11 | O41 | C21 | 120.5° | 118.6° |
| N9 | C11 | O41 | H11 | 119.2° | 122.8° |
| N9 | C11 | C21 | H11 | 119.6° | 122.9° |
| N9 | C11 | C21 | C31 | 152.9° | 155.5° |
| N9 | C11 | C21 | O21 | 82.4° | 86.3° |
| N9 | C11 | C21 | H21 | 31.2° | 37.3° |
| N9 | C11 | O41 | C41 | 142.6° | 158.4° |
| O2A | PA | O3A | O1A | 129.3° | 120.0° |
| O2A | PA | O3A | O51 | 112.7° | 120.0° |
| O2A | PA | O1A | O51 | 130.1° | 120.0° |
| O2A | PA | O3A | PB | 4.3° | 44.9° |
| O2A | PA | O1A | HO1A | 0.0° | 180.0° |
| O2A | PA | O51 | C51 | 173.1° | 55.0° |
| O3A | PA | O1A | O51 | 108.1° | 119.9° |
| PA | O3A | PB | O1B | 22.0° | 45.1° |
| PA | O3A | PB | O3B | 142.2° | 165.0° |
| PA | O3A | PB | O2B | 105.7° | 74.9° |
| O3A | PA | O1A | HO1A | 121.9° | 60.0° |
| O3A | PA | O51 | C51 | 75.1° | 175.1° |
| O1A | PA | O3A | PB | 125.1° | 75.1° |
| O1A | PA | O51 | C51 | 37.6° | 65.0° |
| O51 | PA | O3A | PB | 116.9° | 165.0° |
| O51 | PA | O1A | HO1A | 130.1° | 60.0° |
| PA | O51 | C51 | C41 | 174.7° | 180.0° |
| PA | O51 | C51 | H51 | 54.7° | 60.0° |
| PA | O51 | C51 | H51A | 65.3° | 60.0° |
| O1B | PB | O3B | O2B | 121.2° | 120.0° |
| O1B | PB | O3B | O3A | 117.7° | 119.9° |
| O1B | PB | O2B | O3A | 125.0° | 120.0° |
| O1B | PB | O3B | PG | 26.0° | 40.0° |
| O1B | PB | O2B | HO2B | 0.0° | 180.0° |
| O3B | PB | O2B | O3A | 114.9° | 120.0° |
| PB | O3B | PG | O3G | 68.5° | 165.0° |
| PB | O3B | PG | O2G | 173.6° | 45.1° |
| PB | O3B | PG | O1G | 47.7° | 75.0° |
| O3B | PB | O2B | HO2B | 120.1° | 60.0° |
| O2B | PB | O3B | PG | 147.2° | 80.0° |
| O3A | PB | O3B | PG | 91.7° | 160.0° |
| O3A | PB | O2B | HO2B | 125.0° | 60.0° |
| O2D | PD | O1D | O3D | 128.4° | 120.0° |
| O2D | PD | O1D | O3G | 115.4° | 120.0° |
| O2D | PD | O3D | O3G | 112.2° | 120.0° |
| O2D | PD | O3D | PE | 29.6° | 45.0° |
| O2D | PD | O3G | PG | 111.0° | 40.0° |
| O2D | PD | O1D | HO1D | 0.0° | 179.9° |
| O1D | PD | O3D | O3G | 115.1° | 120.0° |
| O1D | PD | O3D | PE | 162.3° | 75.0° |
| O1D | PD | O3G | PG | 123.2° | 80.0° |
| PD | O3D | PE | O3E | 115.5° | 165.0° |
| PD | O3D | PE | O1E | 4.4° | 45.0° |
| PD | O3D | PE | O2E | 125.5° | 75.0° |
| O3D | PD | O3G | PG | 6.6° | 160.0° |
| O3D | PD | O1D | HO1D | 128.4° | 60.0° |
| O3G | PD | O3D | PE | 82.6° | 165.0° |
| PD | O3G | PG | O2G | 100.9° | 40.0° |
| PD | O3G | PG | O1G | 33.0° | 80.0° |
| PD | O3G | PG | O3B | 143.2° | 160.0° |
| O3G | PD | O1D | HO1D | 115.4° | 60.0° |
| O3E | PE | O1E | O3D | 116.5° | 120.0° |
| O3E | PE | O1E | O2E | 131.5° | 120.0° |
| O3E | PE | O3D | O2E | 119.0° | 120.0° |
| PE | O3E | PZ | O52 | 141.4° | 165.0° |
| PE | O3E | PZ | O2Z | 27.6° | 45.0° |
| PE | O3E | PZ | O1Z | 103.8° | 75.0° |
| O3E | PE | O2E | HO2E | 130.8° | 60.0° |
| O1E | PE | O3D | O2E | 121.1° | 120.0° |
| O1E | PE | O3E | PZ | 37.1° | 40.0° |
| O1E | PE | O2E | HO2E | 0.0° | 180.0° |
| O3D | PE | O3E | PZ | 153.4° | 160.0° |
| O3D | PE | O2E | HO2E | 114.8° | 60.0° |
| O2E | PE | O3E | PZ | 95.3° | 80.0° |
| O3G | PG | O2G | O1G | 131.3° | 120.0° |
| O3G | PG | O2G | O3B | 110.7° | 120.0° |
| O3G | PG | O1G | O3B | 108.0° | 120.0° |
| O3G | PG | O1G | HO1G | 131.3° | 60.0° |
| O2G | PG | O1G | O3B | 120.7° | 120.0° |
| O2G | PG | O1G | HO1G | 0.0° | 180.0° |
| O3B | PG | O1G | HO1G | 120.7° | 60.0° |
| O52 | PZ | O2Z | O1Z | 132.3° | 120.0° |
| O52 | PZ | O2Z | O3E | 106.0° | 120.0° |
| O52 | PZ | O1Z | O3E | 99.2° | 120.0° |
| O52 | PZ | O1Z | HO1Z | 130.1° | 60.0° |
| PZ | O52 | C52 | C42 | 174.7° | 180.0° |
| PZ | O52 | C52 | H52 | 54.7° | 60.0° |
| PZ | O52 | C52 | H52A | 65.3° | 60.0° |
| O2Z | PZ | O1Z | O3E | 130.7° | 120.0° |
| O2Z | PZ | O1Z | HO1Z | 0.0° | 180.0° |
| O2Z | PZ | O52 | C52 | 173.1° | 55.0° |
| O1Z | PZ | O52 | C52 | 37.6° | 65.0° |
| O3E | PZ | O1Z | HO1Z | 130.7° | 60.0° |
| O3E | PZ | O52 | C52 | 64.9° | 175.0° |
| O41 | C11 | C21 | H11 | 124.6° | 118.5° |
| O41 | C11 | C21 | C31 | 37.1° | 36.9° |
| O41 | C11 | C21 | O21 | 161.8° | 155.1° |
| O41 | C11 | C21 | H21 | 84.6° | 81.3° |
| C11 | O41 | C41 | C31 | 3.6° | 26.3° |
| C11 | O41 | C41 | C51 | 115.1° | 145.8° |
| C11 | O41 | C41 | H41 | 125.5° | 93.1° |
| C11 | C21 | C31 | O21 | 122.4° | 118.2° |
| C11 | C21 | C31 | H21 | 124.0° | 118.3° |
| C11 | C21 | O21 | H21 | 123.8° | 123.6° |
| C11 | C21 | O21 | HO21 | 180.0° | 180.0° |
| C11 | C21 | C31 | C41 | 39.8° | 20.9° |
| C11 | C21 | C31 | O31 | 80.8° | 97.8° |
| C11 | C21 | C31 | H31 | 161.7° | 139.7° |
| C21 | C11 | O41 | C41 | 22.1° | 39.8° |
| H11 | C11 | C21 | C31 | 87.5° | 81.6° |
| H11 | C11 | C21 | O21 | 37.2° | 36.6° |
| H11 | C11 | C21 | H21 | 150.8° | 160.1° |
| H11 | C11 | O41 | C41 | 98.3° | 78.7° |
| C22 | C12 | N9Y | O42 | 114.3° | 115.4° |
| C22 | C12 | N9Y | H12 | 120.9° | 122.4° |
| C22 | C12 | O42 | H12 | 120.4° | 119.0° |
| C12 | C22 | O22 | C32 | 114.7° | 114.7° |
| C12 | C22 | O22 | H22 | 123.8° | 122.7° |
| C12 | C22 | C32 | H22 | 124.0° | 118.7° |
| C12 | C22 | O22 | HO22 | 180.0° | 180.0° |
| C12 | C22 | C32 | O32 | 80.8° | 118.6° |
| C12 | C22 | C32 | C42 | 39.8° | 0.0° |
| C12 | C22 | C32 | H32 | 161.6° | 118.7° |
| C22 | C12 | O42 | C42 | 22.1° | 40.5° |
| C22 | C12 | N9Y | C4Y | 102.1° | 88.2° |
| C22 | C12 | N9Y | C8Y | 79.7° | 91.8° |
| N9Y | C12 | O42 | H12 | 119.1° | 122.2° |
| N9Y | C12 | C22 | O22 | 82.4° | 98.6° |
| N9Y | C12 | C22 | C32 | 152.9° | 142.8° |
| N9Y | C12 | C22 | H22 | 31.2° | 24.1° |
| C12 | N9Y | C4Y | N3Y | 0.7° | 0.0° |
| N9Y | C12 | O42 | C42 | 142.6° | 159.3° |
| C12 | N9Y | C4Y | C8Y | 178.5° | 180.0° |
| C12 | N9Y | C4Y | C5Y | 177.7° | 180.0° |
| C12 | N9Y | C8Y | N7Y | 179.2° | 180.0° |
| C12 | N9Y | C8Y | H8Y | 0.8° | 0.0° |
| O42 | C12 | C22 | O22 | 161.8° | 142.7° |
| O42 | C12 | C22 | C32 | 37.1° | 24.0° |
| O42 | C12 | C22 | H22 | 84.6° | 94.7° |
| C12 | O42 | C42 | C32 | 3.6° | 40.5° |
| C12 | O42 | C42 | C52 | 115.1° | 159.3° |
| C12 | O42 | C42 | H42 | 125.5° | 78.4° |
| O42 | C12 | N9Y | C4Y | 143.6° | 156.5° |
| O42 | C12 | N9Y | C8Y | 34.6° | 23.5° |
| H12 | C12 | C22 | O22 | 37.1° | 23.8° |
| H12 | C12 | C22 | C32 | 87.6° | 94.9° |
| H12 | C12 | C22 | H22 | 150.7° | 146.5° |
| H12 | C12 | O42 | C42 | 98.3° | 78.4° |
| H12 | C12 | N9Y | C4Y | 18.8° | 34.2° |
| H12 | C12 | N9Y | C8Y | 159.4° | 145.8° |
| N1Y | C2Y | N3Y | H2Y | 180.0° | 180.0° |
| N1Y | C2Y | N3Y | C4Y | 0.2° | 0.0° |
| C2Y | N1Y | C6Y | C5Y | 0.6° | 0.1° |
| C2Y | N1Y | C6Y | N6Y | 179.9° | 180.0° |
| C6Y | N1Y | C2Y | N3Y | 1.4° | 0.0° |
| C6Y | N1Y | C2Y | H2Y | 178.6° | 180.0° |
| N1Y | C6Y | C5Y | C4Y | 1.7° | 0.0° |
| N1Y | C6Y | C5Y | N6Y | 179.3° | 180.0° |
| N1Y | C6Y | C5Y | N7Y | 176.4° | 180.0° |
| N1Y | C6Y | N6Y | HN6Y | 0.0° | 0.0° |
| N1Y | C6Y | N6Y | HN6B | 120.0° | 180.0° |
| C31 | C21 | O21 | H21 | 121.5° | 123.7° |
| C31 | C21 | O21 | HO21 | 65.3° | 67.3° |
| C21 | C31 | C41 | O31 | 121.0° | 118.7° |
| C21 | C31 | C41 | H31 | 121.4° | 118.7° |
| C21 | C31 | O31 | H31 | 121.5° | 122.6° |
| C21 | C31 | O31 | HO31 | 180.0° | 61.4° |
| C21 | C31 | C41 | C51 | 87.6° | 121.4° |
| C21 | C31 | C41 | O41 | 27.5° | 1.9° |
| C21 | C31 | C41 | H41 | 152.6° | 117.4° |
| O21 | C21 | C31 | C41 | 162.3° | 139.1° |
| O21 | C21 | C31 | O31 | 41.7° | 20.4° |
| O21 | C21 | C31 | H31 | 75.9° | 102.1° |
| H21 | C21 | O21 | HO21 | 56.2° | 56.4° |
| H21 | C21 | C31 | C41 | 84.1° | 97.4° |
| H21 | C21 | C31 | O31 | 155.3° | 144.0° |
| H21 | C21 | C31 | H31 | 37.7° | 21.4° |
| O22 | C22 | C32 | H22 | 113.6° | 122.7° |
| O22 | C22 | C32 | O32 | 41.7° | 0.0° |
| O22 | C22 | C32 | C42 | 162.3° | 118.6° |
| O22 | C22 | C32 | H32 | 75.9° | 122.6° |
| C32 | C22 | O22 | HO22 | 65.3° | 65.4° |
| C22 | C32 | O32 | C42 | 116.6° | 114.6° |
| C22 | C32 | O32 | H32 | 121.5° | 122.7° |
| C22 | C32 | C42 | H32 | 121.4° | 118.7° |
| C22 | C32 | O32 | HO32 | 180.0° | 61.4° |
| C22 | C32 | C42 | O42 | 27.4° | 24.0° |
| C22 | C32 | C42 | C52 | 87.6° | 142.8° |
| C22 | C32 | C42 | H42 | 152.6° | 94.9° |
| H22 | C22 | O22 | HO22 | 56.2° | 57.3° |
| H22 | C22 | C32 | O32 | 155.3° | 122.7° |
| H22 | C22 | C32 | C42 | 84.2° | 118.7° |
| H22 | C22 | C32 | H32 | 37.7° | 0.1° |
| C2Y | N3Y | C4Y | N9Y | 179.1° | 180.0° |
| C2Y | N3Y | C4Y | C5Y | 2.7° | 0.0° |
| H2Y | C2Y | N3Y | C4Y | 179.8° | 180.0° |
| C41 | C31 | O31 | H31 | 121.9° | 122.6° |
| C41 | C31 | O31 | HO31 | 63.4° | 176.2° |
| C31 | C41 | C51 | O41 | 111.5° | 117.9° |
| C31 | C41 | C51 | H41 | 122.9° | 121.1° |
| C31 | C41 | O41 | H41 | 122.0° | 119.4° |
| C31 | C41 | C51 | O51 | 69.3° | 175.0° |
| C31 | C41 | C51 | H51 | 50.8° | 55.0° |
| C31 | C41 | C51 | H51A | 170.7° | 65.0° |
| O31 | C31 | C41 | C51 | 151.4° | 119.8° |
| O31 | C31 | C41 | O41 | 93.6° | 120.6° |
| O31 | C31 | C41 | H41 | 31.6° | 1.3° |
| H31 | C31 | O31 | HO31 | 58.5° | 61.1° |
| H31 | C31 | C41 | C51 | 33.9° | 2.7° |
| H31 | C31 | C41 | O41 | 148.9° | 116.9° |
| H31 | C31 | C41 | H41 | 86.0° | 123.9° |
| O32 | C32 | C42 | H32 | 117.6° | 122.7° |
| O32 | C32 | C42 | O42 | 93.6° | 142.6° |
| O32 | C32 | C42 | C52 | 151.4° | 98.6° |
| O32 | C32 | C42 | H42 | 31.6° | 23.7° |
| C42 | C32 | O32 | HO32 | 63.4° | 176.1° |
| C32 | C42 | O42 | C52 | 118.6° | 118.8° |
| C32 | C42 | O42 | H42 | 121.9° | 118.9° |
| C32 | C42 | C52 | H42 | 122.9° | 122.3° |
| C32 | C42 | C52 | O52 | 69.3° | 175.0° |
| C32 | C42 | C52 | H52 | 50.7° | 55.1° |
| C32 | C42 | C52 | H52A | 170.7° | 65.0° |
| H32 | C32 | O32 | HO32 | 58.5° | 61.2° |
| H32 | C32 | C42 | O42 | 148.9° | 94.7° |
| H32 | C32 | C42 | C52 | 33.9° | 24.1° |
| H32 | C32 | C42 | H42 | 86.0° | 146.4° |
| N3Y | C4Y | N9Y | C5Y | 178.4° | 180.0° |
| N3Y | C4Y | C5Y | C6Y | 3.4° | 0.0° |
| N3Y | C4Y | C5Y | N7Y | 179.4° | 180.0° |
| N3Y | C4Y | N9Y | C8Y | 179.2° | 180.0° |
| C51 | C41 | O41 | H41 | 119.4° | 121.1° |
| C41 | C51 | O51 | H51 | 120.0° | 120.0° |
| C41 | C51 | O51 | H51A | 120.0° | 120.1° |
| C41 | C51 | H51 | H51A | 121.6° | 120.0° |
| O41 | C41 | C51 | O51 | 179.2° | 67.1° |
| O41 | C41 | C51 | H51 | 60.7° | 172.9° |
| O41 | C41 | C51 | H51A | 59.2° | 52.9° |
| H41 | C41 | C51 | O51 | 53.6° | 53.9° |
| H41 | C41 | C51 | H51 | 173.7° | 66.1° |
| H41 | C41 | C51 | H51A | 66.4° | 173.9° |
| O42 | C42 | C52 | H42 | 125.6° | 122.3° |
| O42 | C42 | C52 | O52 | 179.2° | 69.7° |
| O42 | C42 | C52 | H52 | 60.8° | 170.4° |
| O42 | C42 | C52 | H52A | 59.2° | 50.4° |
| C42 | C52 | O52 | H52 | 120.0° | 119.9° |
| C42 | C52 | O52 | H52A | 120.0° | 120.1° |
| C42 | C52 | H52 | H52A | 121.6° | 120.1° |
| H42 | C42 | C52 | O52 | 53.6° | 52.7° |
| H42 | C42 | C52 | H52 | 173.6° | 67.2° |
| H42 | C42 | C52 | H52A | 66.4° | 172.7° |
| N9Y | C4Y | C5Y | C6Y | 178.0° | 180.0° |
| N9Y | C4Y | C5Y | N7Y | 2.0° | 0.0° |
| C4Y | N9Y | C8Y | N7Y | 0.8° | 0.0° |
| C4Y | N9Y | C8Y | H8Y | 179.2° | 180.0° |
| C4Y | C5Y | C6Y | N7Y | 174.7° | 179.9° |
| C4Y | C5Y | C6Y | N6Y | 177.6° | 180.0° |
| C4Y | C5Y | N7Y | C8Y | 2.5° | 0.0° |
| C5Y | C4Y | N9Y | C8Y | 0.8° | 0.0° |
| O51 | C51 | H51 | H51A | 121.6° | 120.0° |
| O52 | C52 | H52 | H52A | 121.6° | 120.0° |
| C5Y | C6Y | N6Y | HN6Y | 179.3° | 180.0° |
| C5Y | C6Y | N6Y | HN6B | 60.7° | 0.0° |
| C6Y | C5Y | N7Y | C8Y | 177.5° | 180.0° |
| N7Y | C5Y | C6Y | N6Y | 2.9° | 0.0° |
| C5Y | N7Y | C8Y | N9Y | 2.0° | 0.0° |
| C5Y | N7Y | C8Y | H8Y | 177.9° | 180.0° |
| C6Y | N6Y | HN6Y | HN6B | 120.0° | 180.0° |
| N7Y | C8Y | N9Y | H8Y | 180.0° | 180.0° |
