1JB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6Q | C5Q | sing | 1.53Å | 1.53Å | |
| C4Q | O4Q | sing | 1.43Å | 1.42Å | |
| C4Q | C5Q | sing | 1.53Å | 1.52Å | |
| C4Q | C3Q | sing | 1.53Å | 1.52Å | |
| C5Q | O5Q | sing | 1.43Å | 1.42Å | |
| O3Q | C3Q | sing | 1.43Å | 1.43Å | |
| C3Q | C2Q | sing | 1.53Å | 1.51Å | |
| O5Q | C1Q | sing | 1.43Å | 1.43Å | |
| O1B | PB | doub | 1.48Å | 1.50Å | |
| O3B | C1Q | sing | 1.43Å | 1.42Å | |
| O3B | PB | sing | 1.61Å | 1.64Å | |
| C2Q | C1Q | sing | 1.53Å | 1.53Å | |
| C2Q | O2Q | sing | 1.43Å | 1.44Å | |
| PB | O2B | sing | 1.61Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.62Å | |
| O2A | PA | doub | 1.48Å | 1.51Å | |
| O3A | PA | sing | 1.61Å | 1.58Å | |
| O3X | C3X | sing | 1.43Å | 1.42Å | |
| PA | O5X | sing | 1.61Å | 1.62Å | |
| PA | O1A | sing | 1.61Å | 1.49Å | |
| C5X | O5X | sing | 1.43Å | 1.43Å | |
| C5X | C4X | sing | 1.53Å | 1.53Å | |
| C3X | C4X | sing | 1.55Å | 1.52Å | |
| C3X | C2X | sing | 1.55Å | 1.52Å | |
| C4X | O4X | sing | 1.44Å | 1.42Å | |
| C2X | C1X | sing | 1.54Å | 1.52Å | |
| O4X | C1X | sing | 1.44Å | 1.42Å | |
| C1X | N1 | sing | 1.47Å | 1.45Å | |
| C6 | N1 | sing | 1.37Å | 1.34Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C5M | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.42Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.25Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| C4 | N3 | sing | 1.35Å | 1.35Å | |
| C4 | O4 | doub | 1.22Å | 1.25Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| O2B | H3 | sing | 0.97Å | 0.95Å | |
| C1Q | H4 | sing | 1.09Å | 1.10Å | |
| C5Q | H5 | sing | 1.09Å | 1.10Å | |
| C6Q | H6 | sing | 1.09Å | 1.10Å | |
| C6Q | H7 | sing | 1.09Å | 1.10Å | |
| C6Q | H8 | sing | 1.09Å | 1.10Å | |
| C4Q | H9 | sing | 1.09Å | 1.10Å | |
| O4Q | H10 | sing | 0.97Å | 0.95Å | |
| C3Q | H11 | sing | 1.09Å | 1.10Å | |
| O3Q | H12 | sing | 0.97Å | 0.95Å | |
| C2Q | H13 | sing | 1.09Å | 1.10Å | |
| O2Q | H14 | sing | 0.97Å | 0.95Å | |
| O1A | H15 | sing | 0.97Å | 0.95Å | |
| C5X | H16 | sing | 1.09Å | 1.10Å | |
| C5X | H17 | sing | 1.09Å | 1.10Å | |
| C4X | H18 | sing | 1.09Å | 1.10Å | |
| C3X | H19 | sing | 1.09Å | 1.10Å | |
| O3X | H20 | sing | 0.97Å | 0.95Å | |
| C2X | H21 | sing | 1.09Å | 1.10Å | |
| C2X | H22 | sing | 1.09Å | 1.10Å | |
| C1X | H23 | sing | 1.09Å | 1.10Å | |
| C5M | H24 | sing | 1.09Å | 1.10Å | |
| C5M | H25 | sing | 1.09Å | 1.10Å | |
| C5M | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6Q | C5Q | C4Q | 119.6° | 109.5° |
| C6Q | C5Q | O5Q | 112.1° | 109.4° |
| C6Q | C5Q | H5 | 100.1° | 109.5° |
| C5Q | C6Q | H6 | 109.5° | 109.5° |
| C5Q | C6Q | H7 | 109.4° | 109.5° |
| C5Q | C6Q | H8 | 109.5° | 109.5° |
| O4Q | C4Q | C5Q | 97.0° | 109.5° |
| O4Q | C4Q | C3Q | 108.9° | 109.5° |
| O4Q | C4Q | H9 | 115.9° | 109.6° |
| C4Q | O4Q | H10 | 109.5° | 114.0° |
| C5Q | C4Q | C3Q | 105.3° | 109.1° |
| C4Q | C5Q | O5Q | 118.7° | 109.5° |
| C4Q | C5Q | H5 | 100.2° | 109.5° |
| C5Q | C4Q | H9 | 114.0° | 109.6° |
| C4Q | C3Q | O3Q | 105.3° | 109.5° |
| C4Q | C3Q | C2Q | 117.2° | 109.0° |
| C3Q | C4Q | H9 | 114.0° | 109.6° |
| C4Q | C3Q | H11 | 105.2° | 109.5° |
| C5Q | O5Q | C1Q | 120.8° | 114.1° |
| O5Q | C5Q | H5 | 101.0° | 109.5° |
| O3Q | C3Q | C2Q | 116.5° | 109.5° |
| O3Q | C3Q | H11 | 106.2° | 109.6° |
| C3Q | O3Q | H12 | 109.5° | 114.0° |
| C3Q | C2Q | C1Q | 108.4° | 109.2° |
| C3Q | C2Q | O2Q | 105.6° | 109.5° |
| C2Q | C3Q | H11 | 105.3° | 109.6° |
| C3Q | C2Q | H13 | 110.3° | 109.5° |
| O5Q | C1Q | O3B | 102.4° | 109.5° |
| O5Q | C1Q | C2Q | 107.7° | 109.4° |
| O5Q | C1Q | H4 | 112.9° | 109.5° |
| O1B | PB | O3B | 104.2° | 109.5° |
| O1B | PB | O2B | 119.0° | 109.4° |
| O1B | PB | O3A | 116.6° | 109.4° |
| C1Q | O3B | PB | 119.0° | 122.9° |
| O3B | C1Q | C2Q | 109.2° | 109.5° |
| O3B | C1Q | H4 | 113.0° | 109.5° |
| O3B | PB | O2B | 112.1° | 109.5° |
| O3B | PB | O3A | 109.4° | 109.4° |
| C1Q | C2Q | O2Q | 111.2° | 109.5° |
| C2Q | C1Q | H4 | 111.3° | 109.5° |
| C1Q | C2Q | H13 | 110.0° | 109.6° |
| O2Q | C2Q | H13 | 111.2° | 109.6° |
| C2Q | O2Q | H14 | 109.5° | 114.0° |
| O2B | PB | O3A | 95.6° | 109.5° |
| PB | O2B | H3 | 109.5° | 114.0° |
| PB | O3A | PA | 123.5° | 134.0° |
| O2A | PA | O3A | 105.9° | 109.5° |
| O2A | PA | O5X | 105.1° | 109.5° |
| O2A | PA | O1A | 111.5° | 109.4° |
| O3A | PA | O5X | 102.8° | 109.5° |
| O3A | PA | O1A | 113.9° | 109.5° |
| O3X | C3X | C4X | 108.5° | 110.9° |
| O3X | C3X | C2X | 103.8° | 110.9° |
| O3X | C3X | H19 | 113.0° | 110.9° |
| C3X | O3X | H20 | 109.5° | 114.0° |
| O5X | PA | O1A | 116.5° | 109.5° |
| PA | O5X | C5X | 132.1° | 123.0° |
| PA | O1A | H15 | 109.5° | 114.0° |
| O5X | C5X | C4X | 104.2° | 109.5° |
| O5X | C5X | H16 | 110.8° | 109.5° |
| O5X | C5X | H17 | 110.8° | 109.5° |
| C5X | C4X | C3X | 107.9° | 110.6° |
| C5X | C4X | O4X | 105.7° | 110.6° |
| C4X | C5X | H16 | 110.8° | 109.4° |
| C4X | C5X | H17 | 110.8° | 109.5° |
| C5X | C4X | H18 | 111.9° | 110.5° |
| C4X | C3X | C2X | 108.2° | 102.1° |
| C3X | C4X | O4X | 105.3° | 103.5° |
| C3X | C4X | H18 | 112.1° | 110.7° |
| C4X | C3X | H19 | 111.5° | 110.9° |
| C3X | C2X | C1X | 101.6° | 104.2° |
| C2X | C3X | H19 | 111.5° | 110.9° |
| C3X | C2X | H21 | 111.4° | 110.5° |
| C3X | C2X | H22 | 111.4° | 110.5° |
| C4X | O4X | C1X | 109.6° | 107.0° |
| O4X | C4X | H18 | 113.6° | 110.6° |
| C2X | C1X | O4X | 110.7° | 107.3° |
| C2X | C1X | N1 | 108.4° | 109.9° |
| C1X | C2X | H21 | 111.4° | 110.5° |
| C1X | C2X | H22 | 111.4° | 110.5° |
| C2X | C1X | H23 | 109.2° | 109.9° |
| O4X | C1X | N1 | 107.8° | 109.9° |
| O4X | C1X | H23 | 110.6° | 109.9° |
| C1X | N1 | C6 | 123.4° | 119.7° |
| C1X | N1 | C2 | 114.4° | 119.7° |
| N1 | C1X | H23 | 110.2° | 110.0° |
| N1 | C6 | C5 | 121.0° | 119.7° |
| C6 | N1 | C2 | 122.1° | 120.7° |
| N1 | C6 | H2 | 119.4° | 120.2° |
| C6 | C5 | C5M | 121.6° | 120.4° |
| C6 | C5 | C4 | 116.3° | 119.1° |
| C5 | C6 | H2 | 119.5° | 120.1° |
| N1 | C2 | O2 | 119.1° | 119.6° |
| N1 | C2 | N3 | 117.6° | 120.9° |
| C5M | C5 | C4 | 122.0° | 120.5° |
| C5 | C5M | H24 | 109.5° | 109.4° |
| C5 | C5M | H25 | 109.5° | 109.5° |
| C5 | C5M | H26 | 109.5° | 109.5° |
| C5 | C4 | N3 | 119.9° | 119.4° |
| C5 | C4 | O4 | 119.4° | 120.3° |
| O2 | C2 | N3 | 123.3° | 119.5° |
| C2 | N3 | C4 | 122.9° | 120.2° |
| C2 | N3 | H1 | 118.5° | 119.8° |
| N3 | C4 | O4 | 120.7° | 120.3° |
| C4 | N3 | H1 | 118.6° | 119.9° |
| H6 | C6Q | H7 | 109.5° | 109.5° |
| H6 | C6Q | H8 | 109.4° | 109.5° |
| H7 | C6Q | H8 | 109.5° | 109.5° |
| H16 | C5X | H17 | 109.5° | 109.5° |
| H21 | C2X | H22 | 109.5° | 110.6° |
| H24 | C5M | H25 | 109.5° | 109.5° |
| H24 | C5M | H26 | 109.5° | 109.5° |
| H25 | C5M | H26 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6Q | C5Q | C4Q | O4Q | 70.0° | 57.7° |
| C6Q | C5Q | C4Q | O5Q | 143.5° | 120.0° |
| C6Q | C5Q | C4Q | H5 | 107.9° | 120.0° |
| C6Q | C5Q | C4Q | C3Q | 178.2° | 177.6° |
| C6Q | C5Q | O5Q | H5 | 105.8° | 120.0° |
| C6Q | C5Q | O5Q | C1Q | 169.7° | 178.8° |
| C5Q | C6Q | H6 | H7 | 120.0° | 120.0° |
| C5Q | C6Q | H6 | H8 | 120.0° | 120.0° |
| C5Q | C6Q | H7 | H8 | 120.0° | 120.0° |
| C6Q | C5Q | C4Q | H9 | 52.5° | 62.5° |
| O4Q | C4Q | C5Q | C3Q | 111.8° | 119.9° |
| O4Q | C4Q | C5Q | H9 | 122.5° | 120.2° |
| O4Q | C4Q | C3Q | H9 | 131.2° | 120.2° |
| O4Q | C4Q | C5Q | O5Q | 73.5° | 62.2° |
| O4Q | C4Q | C3Q | O3Q | 77.3° | 57.0° |
| O4Q | C4Q | C3Q | C2Q | 54.0° | 62.9° |
| O4Q | C4Q | C5Q | H5 | 177.9° | 177.7° |
| O4Q | C4Q | C3Q | H11 | 170.7° | 177.2° |
| C5Q | C4Q | C3Q | H9 | 125.7° | 120.0° |
| C4Q | C5Q | O5Q | H5 | 108.2° | 120.0° |
| C5Q | C4Q | C3Q | O3Q | 179.5° | 176.8° |
| C5Q | C4Q | C3Q | C2Q | 49.1° | 57.0° |
| C4Q | C5Q | O5Q | C1Q | 44.2° | 61.2° |
| C4Q | C5Q | C6Q | H6 | 180.0° | 179.9° |
| C4Q | C5Q | C6Q | H7 | 60.0° | 60.0° |
| C4Q | C5Q | C6Q | H8 | 60.0° | 60.0° |
| C5Q | C4Q | O4Q | H10 | 180.0° | 60.1° |
| C5Q | C4Q | C3Q | H11 | 67.5° | 62.9° |
| C3Q | C4Q | C5Q | O5Q | 38.3° | 57.6° |
| C4Q | C3Q | O3Q | C2Q | 131.8° | 119.5° |
| C4Q | C3Q | O3Q | H11 | 111.3° | 120.2° |
| C4Q | C3Q | C2Q | H11 | 116.6° | 119.9° |
| C4Q | C3Q | C2Q | C1Q | 60.3° | 57.0° |
| C4Q | C3Q | C2Q | O2Q | 179.6° | 176.9° |
| C3Q | C4Q | C5Q | H5 | 70.2° | 62.4° |
| C3Q | C4Q | O4Q | H10 | 71.2° | 179.7° |
| C4Q | C3Q | O3Q | H12 | 180.0° | 180.0° |
| C4Q | C3Q | C2Q | H13 | 60.1° | 62.9° |
| C5Q | O5Q | C1Q | O3B | 65.2° | 58.8° |
| C5Q | O5Q | C1Q | C2Q | 49.8° | 61.2° |
| C5Q | O5Q | C1Q | H4 | 173.0° | 178.8° |
| O5Q | C5Q | C6Q | H6 | 34.3° | 60.0° |
| O5Q | C5Q | C6Q | H7 | 154.3° | 180.0° |
| O5Q | C5Q | C6Q | H8 | 85.7° | 60.0° |
| O5Q | C5Q | C4Q | H9 | 164.0° | 177.6° |
| O3Q | C3Q | C2Q | H11 | 117.4° | 120.3° |
| O3Q | C3Q | C2Q | C1Q | 173.7° | 176.8° |
| O3Q | C3Q | C2Q | O2Q | 54.4° | 63.3° |
| O3Q | C3Q | C4Q | H9 | 53.8° | 63.2° |
| O3Q | C3Q | C2Q | H13 | 65.9° | 56.9° |
| C3Q | C2Q | C1Q | O5Q | 54.2° | 57.6° |
| C3Q | C2Q | C1Q | O3B | 56.2° | 62.3° |
| C3Q | C2Q | C1Q | O2Q | 115.7° | 119.9° |
| C3Q | C2Q | C1Q | H13 | 120.6° | 119.9° |
| C3Q | C2Q | O2Q | H13 | 119.7° | 120.2° |
| C3Q | C2Q | C1Q | H4 | 178.3° | 177.6° |
| C2Q | C3Q | C4Q | H9 | 174.8° | 176.9° |
| C2Q | C3Q | O3Q | H12 | 48.2° | 60.5° |
| C3Q | C2Q | O2Q | H14 | 180.0° | 180.0° |
| O5Q | C1Q | O3B | C2Q | 113.9° | 119.9° |
| O5Q | C1Q | O3B | H4 | 121.7° | 120.0° |
| O5Q | C1Q | O3B | PB | 96.1° | 90.0° |
| O5Q | C1Q | C2Q | H4 | 124.2° | 120.0° |
| O5Q | C1Q | C2Q | O2Q | 169.9° | 177.5° |
| C1Q | O5Q | C5Q | H5 | 64.0° | 58.9° |
| O5Q | C1Q | C2Q | H13 | 66.4° | 62.3° |
| O1B | PB | O3B | C1Q | 167.5° | 55.0° |
| O1B | PB | O3B | O2B | 129.9° | 120.0° |
| O1B | PB | O3B | O3A | 125.3° | 120.0° |
| O1B | PB | O2B | O3A | 124.6° | 119.9° |
| O1B | PB | O3A | PA | 53.8° | 45.0° |
| O1B | PB | O2B | H3 | 0.0° | 180.0° |
| O3B | C1Q | C2Q | H4 | 125.4° | 120.0° |
| O3B | C1Q | C2Q | O2Q | 59.5° | 57.5° |
| C1Q | O3B | PB | O2B | 37.6° | 65.0° |
| C1Q | O3B | PB | O3A | 67.1° | 175.0° |
| O3B | C1Q | C2Q | H13 | 176.8° | 177.7° |
| PB | O3B | C1Q | C2Q | 150.0° | 150.0° |
| O3B | PB | O2B | O3A | 113.6° | 120.0° |
| O3B | PB | O3A | PA | 64.1° | 165.0° |
| O3B | PB | O2B | H3 | 121.8° | 60.0° |
| PB | O3B | C1Q | H4 | 25.6° | 30.0° |
| C1Q | C2Q | O2Q | H13 | 123.0° | 120.2° |
| C1Q | C2Q | C3Q | H11 | 56.3° | 62.8° |
| C1Q | C2Q | O2Q | H14 | 62.6° | 60.4° |
| O2Q | C2Q | C1Q | H4 | 65.9° | 62.5° |
| O2Q | C2Q | C3Q | H11 | 63.0° | 57.0° |
| O2B | PB | O3A | PA | 179.9° | 74.9° |
| PB | O3A | PA | O2A | 3.9° | 44.9° |
| PB | O3A | PA | O5X | 106.2° | 165.0° |
| PB | O3A | PA | O1A | 126.8° | 75.0° |
| O3A | PB | O2B | H3 | 124.6° | 60.0° |
| O2A | PA | O3A | O5X | 110.1° | 120.0° |
| O2A | PA | O3A | O1A | 122.9° | 120.0° |
| O2A | PA | O5X | O1A | 124.1° | 119.9° |
| O2A | PA | O5X | C5X | 91.5° | 54.9° |
| O2A | PA | O1A | H15 | 0.0° | 180.0° |
| O3A | PA | O5X | O1A | 125.3° | 120.0° |
| O3A | PA | O5X | C5X | 19.1° | 175.0° |
| O3A | PA | O1A | H15 | 119.7° | 60.0° |
| O3X | C3X | C4X | C5X | 114.0° | 86.2° |
| O3X | C3X | C4X | C2X | 112.0° | 118.2° |
| O3X | C3X | C4X | H19 | 125.1° | 123.6° |
| O3X | C3X | C2X | H19 | 122.0° | 123.6° |
| O3X | C3X | C4X | O4X | 133.5° | 155.2° |
| O3X | C3X | C2X | C1X | 128.8° | 139.1° |
| O3X | C3X | C4X | H18 | 9.6° | 36.6° |
| O3X | C3X | C2X | H21 | 112.5° | 102.3° |
| O3X | C3X | C2X | H22 | 10.1° | 20.4° |
| PA | O5X | C5X | C4X | 172.7° | 180.0° |
| O5X | PA | O1A | H15 | 120.8° | 60.1° |
| PA | O5X | C5X | H16 | 53.6° | 60.1° |
| PA | O5X | C5X | H17 | 68.2° | 60.0° |
| O1A | PA | O5X | C5X | 144.4° | 65.0° |
| O5X | C5X | C4X | H16 | 119.2° | 120.0° |
| O5X | C5X | C4X | H17 | 119.1° | 120.0° |
| O5X | C5X | C4X | C3X | 24.3° | 179.5° |
| O5X | C5X | C4X | O4X | 87.9° | 66.4° |
| O5X | C5X | H16 | H17 | 122.5° | 120.1° |
| O5X | C5X | C4X | H18 | 148.0° | 56.5° |
| C5X | C4X | C3X | O4X | 112.5° | 118.6° |
| C5X | C4X | C3X | H18 | 123.6° | 122.9° |
| C5X | C4X | C3X | C2X | 134.0° | 155.6° |
| C5X | C4X | O4X | H18 | 123.1° | 122.8° |
| C5X | C4X | O4X | C1X | 134.7° | 158.6° |
| C4X | C5X | H16 | H17 | 122.4° | 120.0° |
| C5X | C4X | C3X | H19 | 11.1° | 37.4° |
| C4X | C3X | C2X | H19 | 123.0° | 118.1° |
| C3X | C4X | O4X | H18 | 123.0° | 118.6° |
| C4X | C3X | C2X | C1X | 13.7° | 20.9° |
| C3X | C4X | O4X | C1X | 20.7° | 40.0° |
| C3X | C4X | C5X | H16 | 94.9° | 60.5° |
| C3X | C4X | C5X | H17 | 143.4° | 59.4° |
| C4X | C3X | O3X | H20 | 180.0° | 180.0° |
| C4X | C3X | C2X | H21 | 132.4° | 139.5° |
| C4X | C3X | C2X | H22 | 105.0° | 97.8° |
| C2X | C3X | C4X | O4X | 21.5° | 37.0° |
| C3X | C2X | C1X | H21 | 118.7° | 118.6° |
| C3X | C2X | C1X | H22 | 118.7° | 118.7° |
| C3X | C2X | C1X | O4X | 1.3° | 2.0° |
| C3X | C2X | C1X | N1 | 116.7° | 121.4° |
| C2X | C3X | C4X | H18 | 102.4° | 81.5° |
| C2X | C3X | O3X | H20 | 65.1° | 67.3° |
| C3X | C2X | H21 | H22 | 123.7° | 122.6° |
| C3X | C2X | C1X | H23 | 123.3° | 117.4° |
| C4X | O4X | C1X | C2X | 12.5° | 26.5° |
| C4X | O4X | C1X | N1 | 130.9° | 145.9° |
| O4X | C4X | C5X | H16 | 153.0° | 53.6° |
| O4X | C4X | C5X | H17 | 31.3° | 173.6° |
| O4X | C4X | C3X | H19 | 101.4° | 81.2° |
| C4X | O4X | C1X | H23 | 108.6° | 92.9° |
| C2X | C1X | O4X | N1 | 118.4° | 119.4° |
| C2X | C1X | O4X | H23 | 121.2° | 119.4° |
| C2X | C1X | N1 | H23 | 119.4° | 121.1° |
| C2X | C1X | N1 | C6 | 57.0° | 115.5° |
| C2X | C1X | N1 | C2 | 119.7° | 64.3° |
| C1X | C2X | C3X | H19 | 109.3° | 97.3° |
| C1X | C2X | H21 | H22 | 123.6° | 122.7° |
| O4X | C1X | N1 | H23 | 120.7° | 121.1° |
| O4X | C1X | N1 | C6 | 62.9° | 126.7° |
| O4X | C1X | N1 | C2 | 120.5° | 53.5° |
| C1X | O4X | C4X | H18 | 102.2° | 78.6° |
| O4X | C1X | C2X | H21 | 120.0° | 116.6° |
| O4X | C1X | C2X | H22 | 117.4° | 120.7° |
| C1X | N1 | C6 | C2 | 176.4° | 179.8° |
| C1X | N1 | C6 | C5 | 179.5° | 179.7° |
| C1X | N1 | C2 | O2 | 2.0° | 0.3° |
| C1X | N1 | C2 | N3 | 179.6° | 179.7° |
| C1X | N1 | C6 | H2 | 0.5° | 0.2° |
| N1 | C1X | C2X | H21 | 2.1° | 2.8° |
| N1 | C1X | C2X | H22 | 124.6° | 119.9° |
| N1 | C6 | C5 | H2 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5M | 178.2° | 179.9° |
| N1 | C6 | C5 | C4 | 3.1° | 0.0° |
| C6 | N1 | C2 | O2 | 178.7° | 179.9° |
| C6 | N1 | C2 | N3 | 3.7° | 0.0° |
| C6 | N1 | C1X | H23 | 176.4° | 5.6° |
| C5 | C6 | N1 | C2 | 4.1° | 0.0° |
| C6 | C5 | C5M | C4 | 178.6° | 180.0° |
| C6 | C5 | C4 | N3 | 2.0° | 0.0° |
| C6 | C5 | C4 | O4 | 179.7° | 180.0° |
| C6 | C5 | C5M | H24 | 180.0° | 179.9° |
| C6 | C5 | C5M | H25 | 60.0° | 59.9° |
| C6 | C5 | C5M | H26 | 60.0° | 60.0° |
| N1 | C2 | O2 | N3 | 177.5° | 180.0° |
| N1 | C2 | N3 | C4 | 2.5° | 0.0° |
| N1 | C2 | N3 | H1 | 177.5° | 179.9° |
| C2 | N1 | C6 | H2 | 175.9° | 180.0° |
| C2 | N1 | C1X | H23 | 0.3° | 174.6° |
| C5M | C5 | C4 | N3 | 179.3° | 180.0° |
| C5M | C5 | C4 | O4 | 1.0° | 0.0° |
| C5M | C5 | C6 | H2 | 1.8° | 0.0° |
| C5 | C5M | H24 | H25 | 120.0° | 120.0° |
| C5 | C5M | H24 | H26 | 120.0° | 120.0° |
| C5 | C5M | H25 | H26 | 120.0° | 120.0° |
| C5 | C4 | N3 | C2 | 1.8° | 0.1° |
| C5 | C4 | N3 | O4 | 178.3° | 180.0° |
| C5 | C4 | N3 | H1 | 178.2° | 180.0° |
| C4 | C5 | C6 | H2 | 176.9° | 180.0° |
| C4 | C5 | C5M | H24 | 1.4° | 0.0° |
| C4 | C5 | C5M | H25 | 121.4° | 120.0° |
| C4 | C5 | C5M | H26 | 118.7° | 120.0° |
| O2 | C2 | N3 | C4 | 180.0° | 180.0° |
| O2 | C2 | N3 | H1 | 0.0° | 0.1° |
| C2 | N3 | C4 | H1 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 179.9° | 180.0° |
| O4 | C4 | N3 | H1 | 0.1° | 0.0° |
| H4 | C1Q | C2Q | H13 | 57.7° | 57.7° |
| H5 | C5Q | C6Q | H6 | 72.0° | 60.0° |
| H5 | C5Q | C6Q | H7 | 48.0° | 60.0° |
| H5 | C5Q | C6Q | H8 | 168.0° | NaN° |
| H5 | C5Q | C4Q | H9 | 55.4° | 57.5° |
| H6 | C6Q | H7 | H8 | 120.0° | 120.0° |
| H9 | C4Q | O4Q | H10 | 58.9° | 60.1° |
| H9 | C4Q | C3Q | H11 | 58.2° | 57.1° |
| H11 | C3Q | O3Q | H12 | 68.7° | 59.8° |
| H11 | C3Q | C2Q | H13 | 176.7° | 177.2° |
| H13 | C2Q | O2Q | H14 | 60.4° | 59.8° |
| H16 | C5X | C4X | H18 | 28.8° | 176.5° |
| H17 | C5X | C4X | H18 | 92.9° | 63.6° |
| H18 | C4X | C3X | H19 | 134.7° | 160.3° |
| H19 | C3X | O3X | H20 | 55.8° | 56.3° |
| H19 | C3X | C2X | H21 | 9.5° | 21.4° |
| H19 | C3X | C2X | H22 | 132.0° | 144.0° |
| H21 | C2X | C1X | H23 | 118.0° | 124.0° |
| H22 | C2X | C1X | H23 | 4.6° | 1.3° |
| H24 | C5M | H25 | H26 | 120.0° | 120.0° |
