NDW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1A | C2A | doub | 1.32Å | 1.34Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.35Å | Aromatic |
| N6A | C6A | sing | 1.38Å | 1.33Å | |
| C2A | N3A | sing | 1.32Å | 1.33Å | Aromatic |
| C6A | C5A | doub | 1.40Å | 1.40Å | Aromatic |
| N3A | C4A | doub | 1.33Å | 1.34Å | Aromatic |
| C5A | C4A | sing | 1.41Å | 1.38Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.38Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.37Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.30Å | Aromatic |
| N9A | C8A | sing | 1.36Å | 1.37Å | Aromatic |
| N9A | C1B | sing | 1.47Å | 1.45Å | |
| C1B | O4B | sing | 1.44Å | 1.41Å | |
| C1B | C2B | sing | 1.55Å | 1.52Å | |
| O3X | P2B | doub | 1.48Å | 1.48Å | |
| O4B | C4B | sing | 1.44Å | 1.45Å | |
| C2B | O2B | sing | 1.43Å | 1.41Å | |
| C2B | C3B | sing | 1.54Å | 1.52Å | |
| O2B | P2B | sing | 1.61Å | 1.58Å | |
| O2X | P2B | sing | 1.61Å | 1.49Å | |
| P2B | O1X | sing | 1.61Å | 1.49Å | |
| C4B | C3B | sing | 1.54Å | 1.53Å | |
| C4B | C5B | sing | 1.53Å | 1.50Å | |
| C3B | O3B | sing | 1.43Å | 1.42Å | |
| O1A | PA | doub | 1.48Å | 1.48Å | |
| O2A | PA | sing | 1.61Å | 1.48Å | |
| C5B | O5B | sing | 1.43Å | 1.44Å | |
| O5B | PA | sing | 1.61Å | 1.59Å | |
| PA | O3 | sing | 1.61Å | 1.59Å | |
| O7N | C7N | doub | 1.22Å | 1.23Å | |
| O3 | PN | sing | 1.61Å | 1.59Å | |
| O1N | PN | doub | 1.48Å | 1.48Å | |
| C7N | N7N | sing | 1.35Å | 1.32Å | |
| C7N | C3N | sing | 1.41Å | 1.46Å | |
| O2N | PN | sing | 1.61Å | 1.48Å | |
| PN | O5D | sing | 1.61Å | 1.58Å | |
| C2N | C3N | doub | 1.35Å | 1.35Å | |
| C2N | N1N | sing | 1.37Å | 1.36Å | |
| C3N | C4N | sing | 1.50Å | 1.48Å | |
| C1D | O4D | sing | 1.44Å | 1.40Å | |
| C1D | N1N | sing | 1.47Å | 1.49Å | |
| C1D | C2D | sing | 1.55Å | 1.53Å | |
| O4D | C4D | sing | 1.44Å | 1.45Å | |
| O5D | C5D | sing | 1.43Å | 1.43Å | |
| N1N | C6N | sing | 1.39Å | 1.37Å | |
| C4N | C5N | sing | 1.50Å | 1.46Å | |
| C2D | C3D | sing | 1.55Å | 1.52Å | |
| C2D | O2D | sing | 1.43Å | 1.41Å | |
| C5D | C4D | sing | 1.53Å | 1.50Å | |
| C4D | C3D | sing | 1.54Å | 1.53Å | |
| C6N | C5N | doub | 1.31Å | 1.31Å | |
| C3D | O3D | sing | 1.43Å | 1.42Å | |
| O2A | H1 | sing | 0.97Å | 0.95Å | |
| C5B | H2 | sing | 1.09Å | 1.10Å | |
| C5B | H3 | sing | 1.09Å | 1.10Å | |
| C4B | H4 | sing | 1.09Å | 1.10Å | |
| C3B | H5 | sing | 1.09Å | 1.10Å | |
| O3B | H6 | sing | 0.97Å | 0.95Å | |
| C2B | H7 | sing | 1.09Å | 1.10Å | |
| C1B | H8 | sing | 1.09Å | 1.10Å | |
| C8A | H9 | sing | 1.08Å | 1.08Å | |
| N6A | H10 | sing | 0.97Å | 1.00Å | |
| N6A | H11 | sing | 0.97Å | 1.00Å | |
| C2A | H12 | sing | 1.08Å | 1.08Å | |
| O2N | H13 | sing | 0.97Å | 0.95Å | |
| C5D | H14 | sing | 1.09Å | 1.10Å | |
| C5D | H15 | sing | 1.09Å | 1.10Å | |
| C4D | H16 | sing | 1.09Å | 1.10Å | |
| C3D | H17 | sing | 1.09Å | 1.10Å | |
| O3D | H18 | sing | 0.97Å | 0.95Å | |
| C2D | H19 | sing | 1.09Å | 1.10Å | |
| O2D | H20 | sing | 0.97Å | 0.95Å | |
| C1D | H21 | sing | 1.09Å | 1.10Å | |
| C2N | H23 | sing | 1.08Å | 1.08Å | |
| N7N | H26 | sing | 0.97Å | 1.00Å | |
| N7N | H27 | sing | 0.97Å | 1.00Å | |
| C4N | H28 | sing | 1.09Å | 1.10Å | |
| C4N | H29 | sing | 1.09Å | 1.10Å | |
| C5N | H30 | sing | 1.08Å | 1.08Å | |
| C6N | H32 | sing | 1.08Å | 1.08Å | |
| O1X | H34 | sing | 0.97Å | 0.95Å | |
| O2X | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | N1A | C6A | 118.5° | 121.1° |
| N1A | C2A | N3A | 129.3° | 122.5° |
| N1A | C2A | H12 | 115.3° | 118.8° |
| N1A | C6A | N6A | 119.1° | 120.7° |
| N1A | C6A | C5A | 117.4° | 118.5° |
| N6A | C6A | C5A | 123.5° | 120.8° |
| C6A | N6A | H10 | 109.5° | 120.0° |
| C6A | N6A | H11 | 109.4° | 120.0° |
| C2A | N3A | C4A | 110.9° | 120.6° |
| N3A | C2A | H12 | 115.4° | 118.7° |
| C6A | C5A | C4A | 117.4° | 118.2° |
| C6A | C5A | N7A | 132.1° | 134.7° |
| N3A | C4A | C5A | 126.5° | 119.1° |
| N3A | C4A | N9A | 127.8° | 134.9° |
| C4A | C5A | N7A | 110.5° | 107.1° |
| C5A | C4A | N9A | 105.7° | 106.0° |
| C5A | N7A | C8A | 104.5° | 109.4° |
| C4A | N9A | C8A | 106.2° | 107.5° |
| C4A | N9A | C1B | 126.6° | 126.3° |
| N7A | C8A | N9A | 113.2° | 110.0° |
| N7A | C8A | H9 | 123.4° | 125.0° |
| C8A | N9A | C1B | 127.3° | 126.3° |
| N9A | C8A | H9 | 123.4° | 125.0° |
| N9A | C1B | O4B | 109.3° | 110.4° |
| N9A | C1B | C2B | 113.7° | 110.4° |
| N9A | C1B | H8 | 109.1° | 110.5° |
| O4B | C1B | C2B | 106.7° | 104.8° |
| C1B | O4B | C4B | 109.0° | 105.3° |
| O4B | C1B | H8 | 109.7° | 110.4° |
| C1B | C2B | O2B | 105.7° | 110.5° |
| C1B | C2B | C3B | 99.8° | 104.0° |
| C1B | C2B | H7 | 112.8° | 110.6° |
| C2B | C1B | H8 | 108.2° | 110.4° |
| O3X | P2B | O2B | 105.2° | 109.5° |
| O3X | P2B | O2X | 112.6° | 109.5° |
| O3X | P2B | O1X | 112.4° | 109.5° |
| O4B | C4B | C3B | 103.2° | 104.8° |
| O4B | C4B | C5B | 108.8° | 110.3° |
| O4B | C4B | H4 | 110.1° | 110.5° |
| O2B | C2B | C3B | 109.9° | 110.5° |
| C2B | O2B | P2B | 111.6° | 123.0° |
| O2B | C2B | H7 | 114.6° | 110.5° |
| C2B | C3B | C4B | 99.3° | 104.1° |
| C2B | C3B | O3B | 115.7° | 110.5° |
| C2B | C3B | H5 | 109.1° | 110.7° |
| C3B | C2B | H7 | 112.8° | 110.5° |
| O2B | P2B | O2X | 104.6° | 109.5° |
| O2B | P2B | O1X | 109.3° | 109.4° |
| O2X | P2B | O1X | 112.2° | 109.5° |
| P2B | O2X | H35 | 109.5° | 114.0° |
| P2B | O1X | H34 | 109.5° | 114.0° |
| C3B | C4B | C5B | 116.1° | 110.4° |
| C4B | C3B | O3B | 112.5° | 110.5° |
| C3B | C4B | H4 | 109.0° | 110.4° |
| C4B | C3B | H5 | 109.0° | 110.5° |
| C4B | C5B | O5B | 109.1° | 109.5° |
| C4B | C5B | H2 | 109.6° | 109.5° |
| C4B | C5B | H3 | 109.6° | 109.4° |
| C5B | C4B | H4 | 109.4° | 110.3° |
| O3B | C3B | H5 | 110.5° | 110.4° |
| C3B | O3B | H6 | 109.5° | 114.0° |
| O1A | PA | O2A | 118.1° | 109.5° |
| O1A | PA | O5B | 110.3° | 109.5° |
| O1A | PA | O3 | 109.2° | 109.4° |
| O2A | PA | O5B | 108.5° | 109.5° |
| O2A | PA | O3 | 108.0° | 109.5° |
| PA | O2A | H1 | 109.5° | 114.0° |
| C5B | O5B | PA | 119.2° | 123.0° |
| O5B | C5B | H2 | 109.6° | 109.5° |
| O5B | C5B | H3 | 109.6° | 109.4° |
| O5B | PA | O3 | 101.4° | 109.4° |
| PA | O3 | PN | 131.5° | 134.0° |
| O7N | C7N | N7N | 122.3° | 120.0° |
| O7N | C7N | C3N | 119.1° | 120.0° |
| O3 | PN | O1N | 108.6° | 109.5° |
| O3 | PN | O2N | 109.0° | 109.5° |
| O3 | PN | O5D | 102.1° | 109.4° |
| O1N | PN | O2N | 117.9° | 109.5° |
| O1N | PN | O5D | 108.7° | 109.5° |
| N7N | C7N | C3N | 118.6° | 120.0° |
| C7N | N7N | H26 | 120.0° | 120.0° |
| C7N | N7N | H27 | 120.0° | 120.0° |
| C7N | C3N | C2N | 116.8° | 119.3° |
| C7N | C3N | C4N | 125.1° | 119.4° |
| O2N | PN | O5D | 109.5° | 109.5° |
| PN | O2N | H13 | 109.5° | 114.0° |
| PN | O5D | C5D | 116.6° | 123.0° |
| C3N | C2N | N1N | 120.0° | 120.4° |
| C2N | C3N | C4N | 118.0° | 121.3° |
| C3N | C2N | H23 | 120.0° | 119.7° |
| C2N | N1N | C1D | 119.7° | 119.9° |
| C2N | N1N | C6N | 115.7° | 120.1° |
| N1N | C2N | H23 | 120.0° | 119.8° |
| C3N | C4N | C5N | 111.0° | 110.9° |
| C3N | C4N | H28 | 109.1° | 109.2° |
| C3N | C4N | H29 | 109.1° | 109.2° |
| O4D | C1D | N1N | 109.3° | 110.6° |
| O4D | C1D | C2D | 107.2° | 103.5° |
| C1D | O4D | C4D | 110.0° | 107.0° |
| O4D | C1D | H21 | 108.7° | 110.7° |
| N1N | C1D | C2D | 116.9° | 110.6° |
| C1D | N1N | C6N | 124.6° | 120.0° |
| N1N | C1D | H21 | 107.5° | 110.5° |
| C1D | C2D | C3D | 106.5° | 102.1° |
| C1D | C2D | O2D | 116.4° | 110.9° |
| C1D | C2D | H19 | 107.1° | 110.9° |
| C2D | C1D | H21 | 107.1° | 110.8° |
| O4D | C4D | C5D | 109.8° | 109.8° |
| O4D | C4D | C3D | 106.4° | 107.3° |
| O4D | C4D | H16 | 108.9° | 110.0° |
| O5D | C5D | C4D | 108.4° | 109.5° |
| O5D | C5D | H14 | 109.7° | 109.5° |
| O5D | C5D | H15 | 109.7° | 109.4° |
| N1N | C6N | C5N | 119.6° | 121.0° |
| N1N | C6N | H32 | 120.2° | 119.5° |
| C4N | C5N | C6N | 118.1° | 121.8° |
| C5N | C4N | H28 | 109.1° | 109.2° |
| C5N | C4N | H29 | 109.1° | 109.2° |
| C4N | C5N | H30 | 121.0° | 119.1° |
| C3D | C2D | O2D | 110.7° | 110.9° |
| C2D | C3D | C4D | 103.6° | 104.2° |
| C2D | C3D | O3D | 111.5° | 110.5° |
| C2D | C3D | H17 | 110.2° | 110.6° |
| C3D | C2D | H19 | 107.1° | 111.0° |
| O2D | C2D | H19 | 108.6° | 110.8° |
| C2D | O2D | H20 | 109.5° | 114.0° |
| C5D | C4D | C3D | 115.7° | 109.9° |
| C4D | C5D | H14 | 109.7° | 109.5° |
| C4D | C5D | H15 | 109.7° | 109.5° |
| C5D | C4D | H16 | 108.1° | 109.9° |
| C4D | C3D | O3D | 109.4° | 110.5° |
| C3D | C4D | H16 | 107.8° | 109.9° |
| C4D | C3D | H17 | 110.1° | 110.5° |
| C6N | C5N | H30 | 120.9° | 119.1° |
| C5N | C6N | H32 | 120.2° | 119.5° |
| O3D | C3D | H17 | 111.8° | 110.4° |
| C3D | O3D | H18 | 109.5° | 114.0° |
| H2 | C5B | H3 | 109.5° | 109.5° |
| H10 | N6A | H11 | 109.5° | 120.0° |
| H14 | C5D | H15 | 109.5° | 109.5° |
| H26 | N7N | H27 | 120.0° | 120.1° |
| H28 | C4N | H29 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2A | N1A | C6A | N6A | 179.9° | 179.9° |
| N1A | C2A | N3A | H12 | 180.0° | 179.9° |
| C2A | N1A | C6A | C5A | 0.4° | 0.0° |
| N1A | C2A | N3A | C4A | 0.5° | 0.1° |
| N1A | C6A | N6A | C5A | 179.7° | 179.9° |
| C6A | N1A | C2A | N3A | 0.6° | 0.1° |
| N1A | C6A | C5A | C4A | 0.1° | 0.0° |
| N1A | C6A | C5A | N7A | 179.2° | 179.5° |
| N1A | C6A | N6A | H10 | 0.0° | 180.0° |
| N1A | C6A | N6A | H11 | 120.0° | 0.1° |
| C6A | N1A | C2A | H12 | 179.4° | 180.0° |
| N6A | C6A | C5A | C4A | 179.8° | 179.9° |
| N6A | C6A | C5A | N7A | 0.5° | 0.4° |
| C6A | N6A | H10 | H11 | 120.0° | 179.9° |
| C2A | N3A | C4A | C5A | 0.2° | 0.1° |
| C2A | N3A | C4A | N9A | 179.4° | 180.0° |
| C6A | C5A | C4A | N3A | 0.0° | 0.0° |
| C6A | C5A | C4A | N7A | 179.5° | 179.7° |
| C6A | C5A | C4A | N9A | 179.4° | 179.9° |
| C6A | C5A | N7A | C8A | 179.1° | 179.9° |
| C5A | C6A | N6A | H10 | 179.7° | 0.1° |
| C5A | C6A | N6A | H11 | 59.7° | 180.0° |
| N3A | C4A | C5A | N9A | 179.4° | 179.9° |
| N3A | C4A | C5A | N7A | 179.4° | 179.7° |
| N3A | C4A | N9A | C8A | 179.2° | 179.8° |
| N3A | C4A | N9A | C1B | 0.9° | 0.0° |
| C4A | N3A | C2A | H12 | 179.5° | 180.0° |
| C4A | C5A | N7A | C8A | 0.3° | 0.3° |
| C5A | C4A | N9A | C8A | 0.2° | 0.3° |
| C5A | C4A | N9A | C1B | 179.7° | 179.9° |
| N7A | C5A | C4A | N9A | 0.1° | 0.4° |
| C5A | N7A | C8A | N9A | 0.4° | 0.1° |
| C5A | N7A | C8A | H9 | 179.6° | 179.9° |
| C4A | N9A | C8A | N7A | 0.4° | 0.2° |
| C4A | N9A | C8A | C1B | 179.9° | 179.7° |
| C4A | N9A | C1B | O4B | 161.3° | 156.8° |
| C4A | N9A | C1B | C2B | 79.5° | 87.9° |
| C4A | N9A | C1B | H8 | 41.4° | 34.5° |
| C4A | N9A | C8A | H9 | 179.6° | 179.7° |
| N7A | C8A | N9A | H9 | 180.0° | 179.9° |
| N7A | C8A | N9A | C1B | 179.5° | 179.9° |
| C8A | N9A | C1B | O4B | 18.7° | 23.5° |
| C8A | N9A | C1B | C2B | 100.4° | 91.8° |
| C8A | N9A | C1B | H8 | 138.7° | 145.8° |
| N9A | C1B | O4B | C2B | 123.4° | 118.8° |
| N9A | C1B | O4B | H8 | 119.6° | 122.4° |
| N9A | C1B | C2B | H8 | 121.4° | 122.4° |
| N9A | C1B | O4B | C4B | 116.7° | 159.3° |
| N9A | C1B | C2B | O2B | 158.2° | 98.6° |
| N9A | C1B | C2B | C3B | 87.7° | 142.8° |
| N9A | C1B | C2B | H7 | 32.3° | 24.1° |
| C1B | N9A | C8A | H9 | 0.4° | 0.1° |
| O4B | C1B | C2B | H8 | 118.0° | 118.8° |
| O4B | C1B | C2B | O2B | 81.2° | 142.6° |
| O4B | C1B | C2B | C3B | 32.9° | 24.0° |
| C1B | O4B | C4B | C3B | 22.4° | 40.5° |
| C1B | O4B | C4B | C5B | 146.3° | 159.4° |
| C1B | O4B | C4B | H4 | 93.8° | 78.4° |
| O4B | C1B | C2B | H7 | 152.9° | 94.7° |
| C2B | C1B | O4B | C4B | 6.7° | 40.5° |
| C1B | C2B | O2B | C3B | 106.9° | 114.6° |
| C1B | C2B | O2B | H7 | 124.8° | 122.8° |
| C1B | C2B | C3B | H7 | 119.9° | 118.7° |
| C1B | C2B | O2B | P2B | 145.8° | 123.9° |
| C1B | C2B | C3B | C4B | 44.4° | 0.0° |
| C1B | C2B | C3B | O3B | 165.1° | 118.6° |
| C1B | C2B | C3B | H5 | 69.5° | 118.7° |
| O3X | P2B | O2B | C2B | 49.7° | 55.0° |
| O3X | P2B | O2B | O2X | 118.8° | 120.0° |
| O3X | P2B | O2B | O1X | 120.9° | 120.0° |
| O3X | P2B | O2X | O1X | 128.0° | 120.0° |
| O3X | P2B | O1X | H34 | 0.0° | 180.0° |
| O3X | P2B | O2X | H35 | 0.0° | 60.0° |
| O4B | C4B | C3B | C2B | 41.9° | 24.0° |
| O4B | C4B | C3B | C5B | 119.0° | 118.8° |
| O4B | C4B | C3B | H4 | 117.0° | 119.0° |
| O4B | C4B | C5B | H4 | 120.3° | 122.4° |
| O4B | C4B | C3B | O3B | 164.9° | 142.6° |
| O4B | C4B | C5B | O5B | 85.2° | 69.6° |
| O4B | C4B | C5B | H2 | 154.9° | 50.4° |
| O4B | C4B | C5B | H3 | 34.8° | 170.4° |
| O4B | C4B | C3B | H5 | 72.1° | 94.9° |
| C4B | O4B | C1B | H8 | 123.7° | 78.3° |
| O2B | C2B | C3B | H7 | 129.3° | 122.6° |
| C2B | O2B | P2B | O2X | 168.5° | 175.0° |
| C2B | O2B | P2B | O1X | 71.2° | 65.0° |
| O2B | C2B | C3B | C4B | 66.3° | 118.6° |
| O2B | C2B | C3B | O3B | 54.4° | 0.0° |
| O2B | C2B | C3B | H5 | 179.8° | 122.6° |
| O2B | C2B | C1B | H8 | 36.9° | 23.8° |
| C3B | C2B | O2B | P2B | 107.3° | 121.5° |
| C2B | C3B | C4B | O3B | 123.0° | 118.6° |
| C2B | C3B | C4B | H5 | 114.0° | 118.9° |
| C2B | C3B | C4B | C5B | 160.9° | 142.8° |
| C2B | C3B | O3B | H5 | 124.7° | 122.8° |
| C2B | C3B | C4B | H4 | 75.1° | 95.0° |
| C2B | C3B | O3B | H6 | 180.0° | 176.1° |
| C3B | C2B | C1B | H8 | 150.9° | 94.9° |
| O2B | P2B | O2X | O1X | 118.4° | 120.0° |
| P2B | O2B | C2B | H7 | 21.0° | 1.1° |
| O2B | P2B | O1X | H34 | 116.4° | 60.0° |
| O2B | P2B | O2X | H35 | 113.7° | 180.0° |
| O2X | P2B | O1X | H34 | 128.0° | 60.0° |
| O1X | P2B | O2X | H35 | 127.9° | 60.0° |
| C3B | C4B | C5B | H4 | 123.8° | 122.3° |
| C4B | C3B | O3B | H5 | 122.1° | 122.6° |
| C3B | C4B | C5B | O5B | 159.0° | 175.0° |
| C3B | C4B | C5B | H2 | 39.0° | 65.0° |
| C3B | C4B | C5B | H3 | 81.1° | 55.1° |
| C4B | C3B | O3B | H6 | 66.7° | 61.5° |
| C4B | C3B | C2B | H7 | 164.4° | 118.8° |
| C5B | C4B | C3B | O3B | 76.1° | 98.6° |
| C4B | C5B | O5B | H2 | 120.0° | 120.1° |
| C4B | C5B | O5B | H3 | 119.9° | 119.9° |
| C4B | C5B | O5B | PA | 151.8° | 180.0° |
| C4B | C5B | H2 | H3 | 120.2° | 120.0° |
| C5B | C4B | C3B | H5 | 46.8° | 23.9° |
| O3B | C3B | C4B | H4 | 47.9° | 23.6° |
| O3B | C3B | C2B | H7 | 74.9° | 122.6° |
| O1A | PA | O2A | O5B | 126.5° | 120.0° |
| O1A | PA | O2A | O3 | 124.4° | 120.0° |
| O1A | PA | O5B | C5B | 20.2° | 55.1° |
| O1A | PA | O5B | O3 | 115.6° | 120.0° |
| O1A | PA | O3 | PN | 28.7° | 45.0° |
| O1A | PA | O2A | H1 | 0.0° | 180.0° |
| O2A | PA | O5B | C5B | 151.1° | 65.0° |
| O2A | PA | O5B | O3 | 113.5° | 120.0° |
| O2A | PA | O3 | PN | 158.3° | 75.0° |
| C5B | O5B | PA | O3 | 95.3° | 175.0° |
| O5B | C5B | H2 | H3 | 120.2° | 120.0° |
| O5B | C5B | C4B | H4 | 35.2° | 52.7° |
| O5B | PA | O3 | PN | 87.8° | 165.0° |
| O5B | PA | O2A | H1 | 126.5° | 60.0° |
| PA | O5B | C5B | H2 | 88.3° | 59.9° |
| PA | O5B | C5B | H3 | 31.9° | 60.1° |
| PA | O3 | PN | O1N | 46.3° | 40.0° |
| PA | O3 | PN | O2N | 83.3° | 80.0° |
| PA | O3 | PN | O5D | 161.0° | 160.0° |
| O3 | PA | O2A | H1 | 124.4° | 60.0° |
| O7N | C7N | N7N | C3N | 179.1° | 179.9° |
| O7N | C7N | C3N | C2N | 8.0° | 0.0° |
| O7N | C7N | C3N | C4N | 171.2° | 180.0° |
| O7N | C7N | N7N | H26 | 0.0° | 180.0° |
| O7N | C7N | N7N | H27 | 180.0° | 0.1° |
| O3 | PN | O1N | O2N | 124.5° | 120.0° |
| O3 | PN | O1N | O5D | 110.3° | 120.0° |
| O3 | PN | O2N | O5D | 110.9° | 120.0° |
| O3 | PN | O5D | C5D | 113.9° | 175.0° |
| O3 | PN | O2N | H13 | 124.3° | 60.0° |
| O1N | PN | O2N | O5D | 124.8° | 120.0° |
| O1N | PN | O5D | C5D | 131.5° | 55.0° |
| O1N | PN | O2N | H13 | 0.0° | 180.0° |
| N7N | C7N | C3N | C2N | 172.8° | 180.0° |
| N7N | C7N | C3N | C4N | 7.9° | 0.1° |
| C7N | N7N | H26 | H27 | 180.0° | 180.0° |
| C7N | C3N | C2N | C4N | 179.3° | 180.0° |
| C7N | C3N | C2N | N1N | 147.2° | 179.6° |
| C7N | C3N | C4N | C5N | 160.2° | 163.9° |
| C7N | C3N | C2N | H23 | 32.8° | 0.4° |
| C3N | C7N | N7N | H26 | 179.2° | 0.1° |
| C3N | C7N | N7N | H27 | 0.9° | 180.0° |
| C7N | C3N | C4N | H28 | 39.9° | 43.5° |
| C7N | C3N | C4N | H29 | 79.6° | 75.8° |
| O2N | PN | O5D | C5D | 1.4° | 65.0° |
| PN | O5D | C5D | C4D | 112.7° | 180.0° |
| O5D | PN | O2N | H13 | 124.8° | 60.0° |
| PN | O5D | C5D | H14 | 127.5° | 60.0° |
| PN | O5D | C5D | H15 | 7.2° | 60.0° |
| C3N | C2N | N1N | H23 | 180.0° | 180.0° |
| C3N | C2N | N1N | C1D | 169.0° | 162.5° |
| C3N | C2N | N1N | C6N | 8.4° | 17.2° |
| C2N | C3N | C4N | C5N | 20.6° | 16.2° |
| C2N | C3N | C4N | H28 | 140.9° | 136.5° |
| C2N | C3N | C4N | H29 | 99.6° | 104.2° |
| N1N | C2N | C3N | C4N | 33.5° | 0.5° |
| C2N | N1N | C1D | O4D | 94.5° | 1.8° |
| C2N | N1N | C1D | C6N | 177.2° | 179.7° |
| C2N | N1N | C1D | C2D | 143.7° | 115.8° |
| C2N | N1N | C6N | C5N | 30.8° | 17.2° |
| C2N | N1N | C1D | H21 | 23.3° | 121.2° |
| C2N | N1N | C6N | H32 | 149.1° | 162.5° |
| C3N | C4N | C5N | H28 | 120.2° | 120.3° |
| C3N | C4N | C5N | H29 | 120.2° | 120.4° |
| C3N | C4N | C5N | C6N | 16.0° | 16.4° |
| C4N | C3N | C2N | H23 | 146.5° | 179.6° |
| C3N | C4N | H28 | H29 | 119.3° | 119.3° |
| C3N | C4N | C5N | H30 | 164.0° | 163.9° |
| O4D | C1D | N1N | C2D | 121.9° | 114.0° |
| O4D | C1D | N1N | H21 | 117.8° | 122.9° |
| O4D | C1D | C2D | H21 | 116.5° | 118.6° |
| O4D | C1D | N1N | C6N | 82.7° | 178.5° |
| O4D | C1D | C2D | C3D | 6.5° | 37.0° |
| O4D | C1D | C2D | O2D | 130.4° | 81.2° |
| C1D | O4D | C4D | C5D | 152.5° | 92.9° |
| C1D | O4D | C4D | C3D | 26.6° | 26.5° |
| C1D | O4D | C4D | H16 | 89.3° | 146.1° |
| O4D | C1D | C2D | H19 | 107.9° | 155.3° |
| N1N | C1D | C2D | H21 | 120.5° | 122.9° |
| N1N | C1D | O4D | C4D | 106.9° | 158.5° |
| N1N | C1D | C2D | C3D | 116.5° | 155.5° |
| N1N | C1D | C2D | O2D | 7.5° | 37.3° |
| C1D | N1N | C6N | C5N | 151.8° | 162.5° |
| N1N | C1D | C2D | H19 | 129.1° | 86.3° |
| C1D | N1N | C2N | H23 | 11.0° | 17.6° |
| C1D | N1N | C6N | H32 | 28.2° | 17.8° |
| C2D | C1D | O4D | C4D | 20.6° | 40.1° |
| C2D | C1D | N1N | C6N | 39.1° | 64.5° |
| C1D | C2D | C3D | O2D | 127.4° | 118.2° |
| C1D | C2D | C3D | H19 | 114.4° | 118.2° |
| C1D | C2D | O2D | H19 | 120.9° | 123.6° |
| C1D | C2D | C3D | C4D | 8.9° | 20.9° |
| C1D | C2D | C3D | O3D | 126.4° | 139.6° |
| C1D | C2D | C3D | H17 | 108.9° | 97.9° |
| C1D | C2D | O2D | H20 | 180.0° | 174.2° |
| O4D | C4D | C5D | O5D | 69.9° | 67.2° |
| O4D | C4D | C3D | C2D | 20.9° | 2.0° |
| O4D | C4D | C5D | C3D | 120.4° | 117.8° |
| O4D | C4D | C5D | H16 | 118.7° | 121.1° |
| O4D | C4D | C3D | H16 | 116.7° | 119.5° |
| O4D | C4D | C3D | O3D | 139.9° | 116.7° |
| O4D | C4D | C5D | H14 | 170.3° | 52.9° |
| O4D | C4D | C5D | H15 | 50.0° | 172.9° |
| O4D | C4D | C3D | H17 | 96.9° | 120.8° |
| C4D | O4D | C1D | H21 | 136.1° | 78.6° |
| O5D | C5D | C4D | H14 | 119.8° | 120.1° |
| O5D | C5D | C4D | H15 | 119.9° | 119.9° |
| O5D | C5D | C4D | C3D | 50.5° | 175.0° |
| O5D | C5D | H14 | H15 | 120.5° | 120.0° |
| O5D | C5D | C4D | H16 | 171.4° | 53.9° |
| N1N | C6N | C5N | C4N | 43.1° | 0.8° |
| N1N | C6N | C5N | H32 | 180.0° | 179.7° |
| C6N | N1N | C1D | H21 | 159.5° | 58.5° |
| C6N | N1N | C2N | H23 | 171.6° | 162.7° |
| N1N | C6N | C5N | H30 | 136.9° | 179.4° |
| C4N | C5N | C6N | H30 | 180.0° | 179.7° |
| C5N | C4N | H28 | H29 | 119.3° | 119.3° |
| C4N | C5N | C6N | H32 | 136.9° | 179.4° |
| C3D | C2D | O2D | H19 | 117.3° | 123.7° |
| C2D | C3D | C4D | C5D | 143.1° | 117.3° |
| C2D | C3D | C4D | O3D | 119.0° | 118.7° |
| C2D | C3D | C4D | H17 | 117.8° | 118.8° |
| C2D | C3D | O3D | H17 | 123.8° | 122.6° |
| C2D | C3D | C4D | H16 | 95.8° | 121.6° |
| C2D | C3D | O3D | H18 | 180.0° | 65.2° |
| C3D | C2D | O2D | H20 | 58.2° | 61.5° |
| C3D | C2D | C1D | H21 | 123.0° | 81.6° |
| O2D | C2D | C3D | C4D | 118.5° | 97.3° |
| O2D | C2D | C3D | O3D | 1.0° | 21.4° |
| O2D | C2D | C3D | H17 | 123.7° | 143.9° |
| O2D | C2D | C1D | H21 | 113.1° | 160.2° |
| C5D | C4D | C3D | H16 | 121.1° | 121.1° |
| C5D | C4D | C3D | O3D | 97.9° | 124.0° |
| C4D | C5D | H14 | H15 | 120.5° | 120.0° |
| C5D | C4D | C3D | H17 | 25.3° | 1.5° |
| C4D | C3D | O3D | H17 | 122.2° | 122.6° |
| C3D | C4D | C5D | H14 | 69.4° | 64.9° |
| C3D | C4D | C5D | H15 | 170.3° | 55.1° |
| C4D | C3D | O3D | H18 | 66.1° | 180.0° |
| C4D | C3D | C2D | H19 | 123.3° | 139.1° |
| C6N | C5N | C4N | H28 | 104.2° | 136.7° |
| C6N | C5N | C4N | H29 | 136.2° | 104.0° |
| O3D | C3D | C4D | H16 | 23.2° | 2.9° |
| O3D | C3D | C2D | H19 | 119.2° | 102.2° |
| H2 | C5B | C4B | H4 | 84.8° | 172.7° |
| H3 | C5B | C4B | H4 | 155.1° | 67.2° |
| H4 | C4B | C3B | H5 | 170.8° | 146.2° |
| H5 | C3B | O3B | H6 | 55.3° | 61.1° |
| H5 | C3B | C2B | H7 | 50.4° | 0.0° |
| H7 | C2B | C1B | H8 | 89.1° | 146.5° |
| H14 | C5D | C4D | H16 | 51.6° | 174.0° |
| H15 | C5D | C4D | H16 | 68.7° | 66.0° |
| H16 | C4D | C3D | H17 | 146.4° | 119.6° |
| H17 | C3D | O3D | H18 | 56.2° | 57.4° |
| H17 | C3D | C2D | H19 | 5.5° | 20.3° |
| H19 | C2D | O2D | H20 | 59.1° | 62.2° |
| H19 | C2D | C1D | H21 | 8.6° | 36.6° |
| H28 | C4N | C5N | H30 | 75.8° | 43.5° |
| H29 | C4N | C5N | H30 | 43.8° | 75.8° |
| H30 | C5N | C6N | H32 | 43.1° | 0.3° |
