0WD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5N | C4N | sing | 1.50Å | 1.41Å | |
| C5N | C6N | doub | 1.31Å | 1.38Å | |
| C4N | C3N | sing | 1.50Å | 1.40Å | |
| O7N | C7N | doub | 1.22Å | 1.22Å | |
| C6N | N1N | sing | 1.39Å | 1.36Å | |
| C3N | C7N | sing | 1.41Å | 1.51Å | |
| C3N | C2N | doub | 1.35Å | 1.40Å | |
| C7N | N7N | sing | 1.35Å | 1.33Å | |
| N1N | C2N | sing | 1.37Å | 1.35Å | |
| N1N | C1M | sing | 1.47Å | 1.47Å | |
| C1M | O4M | sing | 1.44Å | 1.43Å | |
| C1M | C2M | sing | 1.54Å | 1.52Å | |
| O4M | C4M | sing | 1.44Å | 1.43Å | |
| C2M | O2M | sing | 1.43Å | 1.40Å | |
| C2M | C3M | sing | 1.55Å | 1.52Å | |
| C4M | C5M | sing | 1.53Å | 1.53Å | |
| C4M | C3M | sing | 1.54Å | 1.51Å | |
| O2N | PN | doub | 1.48Å | 1.50Å | |
| O1N | PN | sing | 1.61Å | 1.52Å | |
| O5M | C5M | sing | 1.43Å | 1.42Å | |
| O5M | PN | sing | 1.61Å | 1.61Å | |
| O3M | C3M | sing | 1.43Å | 1.42Å | |
| PN | O3P | sing | 1.61Å | 1.61Å | |
| O3P | PA | sing | 1.61Å | 1.61Å | |
| O1A | PA | doub | 1.48Å | 1.51Å | |
| PA | O5B | sing | 1.61Å | 1.60Å | |
| PA | O2A | sing | 1.61Å | 1.50Å | |
| O5B | C5B | sing | 1.43Å | 1.42Å | |
| C5B | C4B | sing | 1.53Å | 1.51Å | |
| C4B | O4B | sing | 1.44Å | 1.44Å | |
| C4B | C3B | sing | 1.54Å | 1.52Å | |
| O4B | C1B | sing | 1.44Å | 1.43Å | |
| C3B | O3B | sing | 1.43Å | 1.43Å | |
| C3B | C2B | sing | 1.55Å | 1.51Å | |
| O3B | P2' | sing | 1.61Å | 1.62Å | |
| C1B | C2B | sing | 1.55Å | 1.52Å | |
| C1B | N9A | sing | 1.46Å | 1.48Å | |
| OP3 | P2' | doub | 1.48Å | 1.52Å | |
| C2B | O2B | sing | 1.43Å | 1.42Å | |
| P2' | OP1 | sing | 1.61Å | 1.51Å | |
| P2' | OP2 | sing | 1.61Å | 1.51Å | |
| N9A | C8A | sing | 1.36Å | 1.36Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.32Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.37Å | Aromatic |
| C4A | N3A | doub | 1.33Å | 1.45Å | Aromatic |
| C4A | C5A | sing | 1.41Å | 1.45Å | Aromatic |
| N7A | C5A | sing | 1.35Å | 1.35Å | Aromatic |
| N3A | C2A | sing | 1.32Å | 1.35Å | Aromatic |
| C5A | C6A | doub | 1.41Å | 1.48Å | Aromatic |
| C2A | N1A | doub | 1.32Å | 1.35Å | Aromatic |
| C6A | N1A | sing | 1.33Å | 1.37Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.35Å | |
| N7N | H1 | sing | 0.97Å | 1.00Å | |
| N7N | H2 | sing | 0.97Å | 1.00Å | |
| C2N | H3 | sing | 1.08Å | 1.08Å | |
| C4N | H4 | sing | 1.09Å | 1.10Å | |
| C5N | H5 | sing | 1.08Å | 1.08Å | |
| C6N | H6 | sing | 1.08Å | 1.08Å | |
| C1M | H7 | sing | 1.09Å | 1.10Å | |
| C2M | H8 | sing | 1.09Å | 1.10Å | |
| O2M | H9 | sing | 0.97Å | 0.95Å | |
| C3M | H10 | sing | 1.09Å | 1.10Å | |
| O3M | H11 | sing | 0.97Å | 0.95Å | |
| C4M | H12 | sing | 1.09Å | 1.10Å | |
| C5M | H13 | sing | 1.09Å | 1.10Å | |
| C5M | H14 | sing | 1.09Å | 1.10Å | |
| O1N | H15 | sing | 0.97Å | 0.95Å | |
| O2A | H16 | sing | 0.97Å | 0.95Å | |
| C5B | H17 | sing | 1.09Å | 1.10Å | |
| C5B | H18 | sing | 1.09Å | 1.10Å | |
| C4B | H19 | sing | 1.09Å | 1.10Å | |
| C3B | H20 | sing | 1.09Å | 1.10Å | |
| OP2 | H21 | sing | 0.97Å | 0.95Å | |
| OP1 | H22 | sing | 0.97Å | 0.95Å | |
| C1B | H23 | sing | 1.09Å | 1.10Å | |
| C2B | H24 | sing | 1.09Å | 1.10Å | |
| O2B | H25 | sing | 0.97Å | 0.95Å | |
| C2A | H26 | sing | 1.08Å | 1.08Å | |
| N6A | H27 | sing | 0.97Å | 1.00Å | |
| N6A | H28 | sing | 0.97Å | 1.00Å | |
| C8A | H29 | sing | 1.08Å | 1.08Å | |
| C4N | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4N | C5N | C6N | 119.5° | 121.8° |
| C5N | C4N | C3N | 118.0° | 110.9° |
| C5N | C4N | H4 | 107.3° | 109.2° |
| C4N | C5N | H5 | 120.3° | 119.1° |
| C5N | C4N | H30 | 107.3° | 109.1° |
| C5N | C6N | N1N | 121.4° | 121.0° |
| C6N | C5N | H5 | 120.2° | 119.1° |
| C5N | C6N | H6 | 119.3° | 119.5° |
| C4N | C3N | C7N | 120.4° | 119.3° |
| C4N | C3N | C2N | 120.2° | 121.3° |
| C3N | C4N | H4 | 107.3° | 109.2° |
| C3N | C4N | H30 | 107.3° | 109.2° |
| O7N | C7N | C3N | 118.6° | 120.0° |
| O7N | C7N | N7N | 121.4° | 120.0° |
| C6N | N1N | C2N | 120.9° | 120.1° |
| C6N | N1N | C1M | 117.2° | 120.0° |
| N1N | C6N | H6 | 119.3° | 119.5° |
| C7N | C3N | C2N | 119.4° | 119.4° |
| C3N | C7N | N7N | 119.9° | 120.0° |
| C3N | C2N | N1N | 120.0° | 120.5° |
| C3N | C2N | H3 | 120.1° | 119.7° |
| C7N | N7N | H1 | 120.0° | 120.0° |
| C7N | N7N | H2 | 120.0° | 120.0° |
| C2N | N1N | C1M | 121.8° | 119.9° |
| N1N | C2N | H3 | 120.0° | 119.8° |
| N1N | C1M | O4M | 106.9° | 110.3° |
| N1N | C1M | C2M | 121.0° | 110.3° |
| N1N | C1M | H7 | 108.9° | 110.3° |
| O4M | C1M | C2M | 102.0° | 104.8° |
| C1M | O4M | C4M | 112.2° | 105.2° |
| O4M | C1M | H7 | 109.4° | 110.4° |
| C1M | C2M | O2M | 112.2° | 110.5° |
| C1M | C2M | C3M | 102.3° | 104.1° |
| C2M | C1M | H7 | 108.2° | 110.5° |
| C1M | C2M | H8 | 109.7° | 110.5° |
| O4M | C4M | C5M | 111.5° | 110.3° |
| O4M | C4M | C3M | 105.0° | 104.8° |
| O4M | C4M | H12 | 110.0° | 110.4° |
| O2M | C2M | C3M | 110.9° | 110.5° |
| O2M | C2M | H8 | 111.5° | 110.5° |
| C2M | O2M | H9 | 109.5° | 114.0° |
| C2M | C3M | C4M | 104.2° | 104.1° |
| C2M | C3M | O3M | 113.6° | 110.5° |
| C3M | C2M | H8 | 109.7° | 110.6° |
| C2M | C3M | H10 | 110.5° | 110.5° |
| C5M | C4M | C3M | 112.8° | 110.4° |
| C4M | C5M | O5M | 107.9° | 109.5° |
| C5M | C4M | H12 | 108.6° | 110.3° |
| C4M | C5M | H13 | 109.8° | 109.4° |
| C4M | C5M | H14 | 109.9° | 109.5° |
| C4M | C3M | O3M | 105.3° | 110.6° |
| C4M | C3M | H10 | 110.8° | 110.5° |
| C3M | C4M | H12 | 108.9° | 110.5° |
| O2N | PN | O1N | 121.1° | 109.5° |
| O2N | PN | O5M | 100.3° | 109.5° |
| O2N | PN | O3P | 111.7° | 109.4° |
| O1N | PN | O5M | 109.4° | 109.5° |
| O1N | PN | O3P | 113.0° | 109.5° |
| PN | O1N | H15 | 109.5° | 114.1° |
| C5M | O5M | PN | 124.3° | 123.0° |
| O5M | C5M | H13 | 109.9° | 109.5° |
| O5M | C5M | H14 | 109.9° | 109.4° |
| O5M | PN | O3P | 97.8° | 109.4° |
| O3M | C3M | H10 | 112.0° | 110.5° |
| C3M | O3M | H11 | 109.5° | 114.0° |
| PN | O3P | PA | 127.5° | 134.0° |
| O3P | PA | O1A | 109.9° | 109.5° |
| O3P | PA | O5B | 100.4° | 109.5° |
| O3P | PA | O2A | 107.6° | 109.4° |
| O1A | PA | O5B | 111.1° | 109.5° |
| O1A | PA | O2A | 121.6° | 109.5° |
| O5B | PA | O2A | 104.0° | 109.5° |
| PA | O5B | C5B | 118.4° | 123.0° |
| PA | O2A | H16 | 109.5° | 114.0° |
| O5B | C5B | C4B | 110.1° | 109.5° |
| O5B | C5B | H17 | 109.3° | 109.5° |
| O5B | C5B | H18 | 109.3° | 109.4° |
| C5B | C4B | O4B | 111.7° | 109.9° |
| C5B | C4B | C3B | 112.3° | 109.9° |
| C4B | C5B | H17 | 109.3° | 109.5° |
| C4B | C5B | H18 | 109.3° | 109.5° |
| C5B | C4B | H19 | 108.3° | 109.9° |
| O4B | C4B | C3B | 106.9° | 107.3° |
| C4B | O4B | C1B | 106.6° | 107.0° |
| O4B | C4B | H19 | 109.3° | 109.9° |
| C4B | C3B | O3B | 103.9° | 110.5° |
| C4B | C3B | C2B | 99.8° | 104.2° |
| C3B | C4B | H19 | 108.2° | 110.0° |
| C4B | C3B | H20 | 112.6° | 110.4° |
| O4B | C1B | C2B | 100.4° | 103.4° |
| O4B | C1B | N9A | 118.3° | 110.7° |
| O4B | C1B | H23 | 110.3° | 110.6° |
| O3B | C3B | C2B | 112.2° | 110.5° |
| C3B | O3B | P2' | 128.9° | 123.0° |
| O3B | C3B | H20 | 114.2° | 110.4° |
| C3B | C2B | C1B | 99.3° | 102.1° |
| C3B | C2B | O2B | 115.6° | 110.9° |
| C2B | C3B | H20 | 112.8° | 110.6° |
| C3B | C2B | H24 | 108.6° | 110.9° |
| O3B | P2' | OP3 | 100.6° | 109.5° |
| O3B | P2' | OP1 | 104.6° | 109.5° |
| O3B | P2' | OP2 | 108.0° | 109.5° |
| C2B | C1B | N9A | 108.5° | 110.7° |
| C1B | C2B | O2B | 114.5° | 110.9° |
| C2B | C1B | H23 | 109.1° | 110.6° |
| C1B | C2B | H24 | 108.4° | 110.9° |
| C1B | N9A | C8A | 128.5° | 126.3° |
| C1B | N9A | C4A | 125.7° | 126.3° |
| N9A | C1B | H23 | 109.7° | 110.7° |
| OP3 | P2' | OP1 | 118.0° | 109.5° |
| OP3 | P2' | OP2 | 111.3° | 109.4° |
| O2B | C2B | H24 | 109.8° | 110.8° |
| C2B | O2B | H25 | 109.5° | 114.0° |
| OP1 | P2' | OP2 | 112.8° | 109.5° |
| P2' | OP1 | H22 | 109.5° | 114.0° |
| P2' | OP2 | H21 | 109.5° | 114.1° |
| C8A | N9A | C4A | 105.7° | 107.4° |
| N9A | C8A | N7A | 112.3° | 110.0° |
| N9A | C8A | H29 | 123.9° | 125.0° |
| N9A | C4A | N3A | 128.9° | 134.9° |
| N9A | C4A | C5A | 109.5° | 106.0° |
| C8A | N7A | C5A | 106.4° | 109.4° |
| N7A | C8A | H29 | 123.9° | 125.0° |
| N3A | C4A | C5A | 121.6° | 119.1° |
| C4A | N3A | C2A | 119.1° | 120.7° |
| C4A | C5A | N7A | 106.1° | 107.2° |
| C4A | C5A | C6A | 114.0° | 118.1° |
| N7A | C5A | C6A | 139.9° | 134.7° |
| N3A | C2A | N1A | 121.6° | 122.4° |
| N3A | C2A | H26 | 119.2° | 118.8° |
| C5A | C6A | N1A | 120.3° | 118.5° |
| C5A | C6A | N6A | 118.8° | 120.7° |
| C2A | N1A | C6A | 123.5° | 121.2° |
| N1A | C2A | H26 | 119.2° | 118.8° |
| N1A | C6A | N6A | 121.0° | 120.8° |
| C6A | N6A | H27 | 109.5° | 120.0° |
| C6A | N6A | H28 | 109.5° | 120.0° |
| H1 | N7N | H2 | 120.0° | 120.0° |
| H4 | C4N | H30 | 109.5° | 109.3° |
| H13 | C5M | H14 | 109.5° | 109.5° |
| H17 | C5B | H18 | 109.5° | 109.4° |
| H27 | N6A | H28 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4N | C5N | C6N | H5 | 180.0° | 180.0° |
| C5N | C4N | C3N | H4 | 121.2° | 120.3° |
| C5N | C4N | C3N | H30 | 121.2° | 120.3° |
| C4N | C5N | C6N | N1N | 1.2° | 0.5° |
| C5N | C4N | C3N | C7N | 177.3° | 163.8° |
| C5N | C4N | C3N | C2N | 0.8° | 16.0° |
| C5N | C4N | H4 | H30 | 116.1° | 119.3° |
| C4N | C5N | C6N | H6 | 178.8° | 179.7° |
| C6N | C5N | C4N | C3N | 1.1° | 16.1° |
| C5N | C6N | N1N | H6 | 180.0° | 179.8° |
| C5N | C6N | N1N | C2N | 1.1° | 17.5° |
| C5N | C6N | N1N | C1M | 177.8° | 162.2° |
| C6N | C5N | C4N | H4 | 122.3° | 136.4° |
| C6N | C5N | C4N | H30 | 120.1° | 104.2° |
| C4N | C3N | C7N | O7N | 25.3° | 179.7° |
| C4N | C3N | C7N | C2N | 178.2° | 179.8° |
| C4N | C3N | C7N | N7N | 157.7° | 0.5° |
| C4N | C3N | C2N | N1N | 0.7° | 0.2° |
| C4N | C3N | C2N | H3 | 179.3° | 179.8° |
| C3N | C4N | H4 | H30 | 116.1° | 119.4° |
| C3N | C4N | C5N | H5 | 178.9° | 163.8° |
| O7N | C7N | C3N | N7N | 177.0° | 179.8° |
| O7N | C7N | C3N | C2N | 152.8° | 0.1° |
| O7N | C7N | N7N | H1 | 0.0° | 0.0° |
| O7N | C7N | N7N | H2 | 180.0° | 180.0° |
| C6N | N1N | C2N | C3N | 0.8° | 17.5° |
| C6N | N1N | C2N | C1M | 176.6° | 179.7° |
| C6N | N1N | C1M | O4M | 107.0° | 53.5° |
| C6N | N1N | C1M | C2M | 137.2° | 61.8° |
| C6N | N1N | C2N | H3 | 179.2° | 162.5° |
| N1N | C6N | C5N | H5 | 178.8° | 179.5° |
| C6N | N1N | C1M | H7 | 11.1° | 175.8° |
| C7N | C3N | C2N | N1N | 177.5° | 179.6° |
| C3N | C7N | N7N | H1 | 176.9° | 179.8° |
| C3N | C7N | N7N | H2 | 3.2° | 0.2° |
| C7N | C3N | C2N | H3 | 2.5° | 0.4° |
| C7N | C3N | C4N | H4 | 56.1° | 43.5° |
| C7N | C3N | C4N | H30 | 61.5° | 75.9° |
| C2N | C3N | C7N | N7N | 24.1° | 179.7° |
| C3N | C2N | N1N | H3 | 180.0° | 180.0° |
| C3N | C2N | N1N | C1M | 177.3° | 162.2° |
| C2N | C3N | C4N | H4 | 122.1° | 136.3° |
| C2N | C3N | C4N | H30 | 120.4° | 104.3° |
| C7N | N7N | H1 | H2 | 180.0° | 180.0° |
| C2N | N1N | C1M | O4M | 69.7° | 126.2° |
| C2N | N1N | C1M | C2M | 46.1° | 118.5° |
| C2N | N1N | C6N | H6 | 179.0° | 162.3° |
| C2N | N1N | C1M | H7 | 172.2° | 3.9° |
| N1N | C1M | O4M | C2M | 127.9° | 118.8° |
| N1N | C1M | O4M | H7 | 117.7° | 122.2° |
| N1N | C1M | C2M | H7 | 126.4° | 122.3° |
| N1N | C1M | O4M | C4M | 155.9° | 159.3° |
| N1N | C1M | C2M | O2M | 85.8° | 98.6° |
| N1N | C1M | C2M | C3M | 155.2° | 142.8° |
| C1M | N1N | C2N | H3 | 2.7° | 17.8° |
| C1M | N1N | C6N | H6 | 2.2° | 18.0° |
| N1N | C1M | C2M | H8 | 38.8° | 24.0° |
| O4M | C1M | C2M | H7 | 115.3° | 119.0° |
| O4M | C1M | C2M | O2M | 155.9° | 142.6° |
| O4M | C1M | C2M | C3M | 36.9° | 24.0° |
| C1M | O4M | C4M | C5M | 129.3° | 159.4° |
| C1M | O4M | C4M | C3M | 6.9° | 40.6° |
| O4M | C1M | C2M | H8 | 79.5° | 94.8° |
| C1M | O4M | C4M | H12 | 110.1° | 78.4° |
| C2M | C1M | O4M | C4M | 28.0° | 40.6° |
| C1M | C2M | O2M | C3M | 113.8° | 114.6° |
| C1M | C2M | O2M | H8 | 123.6° | 122.6° |
| C1M | C2M | C3M | H8 | 116.5° | 118.7° |
| C1M | C2M | C3M | C4M | 33.5° | 0.0° |
| C1M | C2M | C3M | O3M | 80.6° | 118.7° |
| C1M | C2M | O2M | H9 | 180.0° | 179.9° |
| C1M | C2M | C3M | H10 | 152.5° | 118.7° |
| O4M | C4M | C3M | C2M | 17.3° | 24.0° |
| O4M | C4M | C5M | C3M | 117.9° | 115.3° |
| O4M | C4M | C5M | H12 | 121.3° | 122.2° |
| O4M | C4M | C3M | H12 | 117.7° | 118.9° |
| O4M | C4M | C5M | O5M | 44.6° | 66.5° |
| O4M | C4M | C3M | O3M | 102.5° | 142.7° |
| C4M | O4M | C1M | H7 | 86.4° | 78.4° |
| O4M | C4M | C3M | H10 | 136.2° | 94.6° |
| O4M | C4M | C5M | H13 | 75.2° | 173.5° |
| O4M | C4M | C5M | H14 | 164.3° | 53.5° |
| O2M | C2M | C3M | H8 | 123.7° | 122.7° |
| O2M | C2M | C3M | C4M | 153.4° | 118.6° |
| O2M | C2M | C3M | O3M | 39.3° | 0.1° |
| O2M | C2M | C1M | H7 | 40.6° | 23.7° |
| O2M | C2M | C3M | H10 | 87.6° | 122.7° |
| C2M | C3M | C4M | C5M | 104.3° | 142.8° |
| C2M | C3M | C4M | O3M | 119.8° | 118.7° |
| C2M | C3M | C4M | H10 | 118.9° | 118.7° |
| C2M | C3M | O3M | H10 | 126.1° | 122.6° |
| C3M | C2M | C1M | H7 | 78.4° | 94.9° |
| C3M | C2M | O2M | H9 | 66.2° | 65.3° |
| C2M | C3M | O3M | H11 | 180.0° | 61.5° |
| C2M | C3M | C4M | H12 | 135.1° | 94.9° |
| C5M | C4M | C3M | H12 | 120.6° | 122.3° |
| C4M | C5M | O5M | H13 | 119.7° | 120.0° |
| C4M | C5M | O5M | H14 | 119.8° | 120.0° |
| C4M | C5M | O5M | PN | 167.3° | 180.0° |
| C5M | C4M | C3M | O3M | 135.9° | 98.5° |
| C5M | C4M | C3M | H10 | 14.6° | 24.1° |
| C4M | C5M | H13 | H14 | 120.7° | 120.0° |
| C3M | C4M | C5M | O5M | 73.4° | 178.2° |
| C4M | C3M | O3M | H10 | 120.5° | 122.7° |
| C4M | C3M | C2M | H8 | 83.0° | 118.7° |
| C4M | C3M | O3M | H11 | 66.6° | 176.2° |
| C3M | C4M | C5M | H13 | 166.9° | 58.2° |
| C3M | C4M | C5M | H14 | 46.4° | 61.8° |
| O2N | PN | O1N | O5M | 115.8° | 120.1° |
| O2N | PN | O1N | O3P | 136.4° | 120.0° |
| O2N | PN | O5M | C5M | 168.5° | 55.0° |
| O2N | PN | O5M | O3P | 113.8° | 120.0° |
| O2N | PN | O3P | PA | 97.7° | 45.1° |
| O2N | PN | O1N | H15 | 0.0° | 180.0° |
| O1N | PN | O5M | C5M | 40.1° | 65.1° |
| O1N | PN | O5M | O3P | 117.7° | 120.0° |
| O1N | PN | O3P | PA | 42.9° | 75.0° |
| C5M | O5M | PN | O3P | 77.7° | 175.0° |
| O5M | C5M | C4M | H12 | 165.9° | 55.8° |
| O5M | C5M | H13 | H14 | 120.7° | 120.0° |
| O5M | PN | O3P | PA | 157.9° | 165.1° |
| PN | O5M | C5M | H13 | 47.5° | 60.0° |
| PN | O5M | C5M | H14 | 73.0° | 60.0° |
| O5M | PN | O1N | H15 | 115.8° | 60.0° |
| O3M | C3M | C2M | H8 | 163.0° | 122.5° |
| O3M | C3M | C4M | H12 | 15.3° | 23.8° |
| PN | O3P | PA | O1A | 0.3° | 45.0° |
| PN | O3P | PA | O5B | 117.5° | 165.0° |
| PN | O3P | PA | O2A | 134.1° | 75.0° |
| O3P | PN | O1N | H15 | 136.5° | 60.0° |
| O3P | PA | O1A | O5B | 110.2° | 120.0° |
| O3P | PA | O1A | O2A | 126.9° | 120.0° |
| O3P | PA | O5B | O2A | 111.2° | 119.9° |
| O3P | PA | O5B | C5B | 70.8° | 175.0° |
| O3P | PA | O2A | H16 | 128.0° | 60.0° |
| O1A | PA | O5B | O2A | 132.5° | 120.0° |
| O1A | PA | O5B | C5B | 172.9° | 55.0° |
| O1A | PA | O2A | H16 | 0.0° | 180.0° |
| PA | O5B | C5B | C4B | 174.4° | 180.0° |
| O5B | PA | O2A | H16 | 126.2° | 60.0° |
| PA | O5B | C5B | H17 | 65.5° | 60.0° |
| PA | O5B | C5B | H18 | 54.3° | 60.0° |
| O2A | PA | O5B | C5B | 40.4° | 65.0° |
| O5B | C5B | C4B | H17 | 120.1° | 120.0° |
| O5B | C5B | C4B | H18 | 120.1° | 120.0° |
| O5B | C5B | C4B | O4B | 156.6° | 66.5° |
| O5B | C5B | C4B | C3B | 83.3° | 175.7° |
| O5B | C5B | H17 | H18 | 119.7° | 119.9° |
| O5B | C5B | C4B | H19 | 36.2° | 54.6° |
| C5B | C4B | O4B | C3B | 123.2° | 119.4° |
| C5B | C4B | O4B | H19 | 119.9° | 121.0° |
| C5B | C4B | C3B | H19 | 119.5° | 121.1° |
| C5B | C4B | O4B | C1B | 133.6° | 145.9° |
| C5B | C4B | C3B | O3B | 143.0° | 119.8° |
| C5B | C4B | C3B | C2B | 101.0° | 121.4° |
| C4B | C5B | H17 | H18 | 119.7° | 120.0° |
| C5B | C4B | C3B | H20 | 18.9° | 2.6° |
| O4B | C4B | C3B | H19 | 117.6° | 119.5° |
| O4B | C4B | C3B | O3B | 94.1° | 120.7° |
| O4B | C4B | C3B | C2B | 21.9° | 2.0° |
| C4B | O4B | C1B | C2B | 38.2° | 40.0° |
| C4B | O4B | C1B | N9A | 156.0° | 158.6° |
| O4B | C4B | C5B | H17 | 36.6° | 53.6° |
| O4B | C4B | C5B | H18 | 83.3° | 173.5° |
| O4B | C4B | C3B | H20 | 141.8° | 116.8° |
| C4B | O4B | C1B | H23 | 76.8° | 78.4° |
| C3B | C4B | O4B | C1B | 10.4° | 26.5° |
| C4B | C3B | O3B | C2B | 106.9° | 114.8° |
| C4B | C3B | O3B | H20 | 123.1° | 122.5° |
| C4B | C3B | C2B | H20 | 119.8° | 118.7° |
| C4B | C3B | O3B | P2' | 167.1° | 120.0° |
| C4B | C3B | C2B | C1B | 43.6° | 20.9° |
| C4B | C3B | C2B | O2B | 166.6° | 139.1° |
| C3B | C4B | C5B | H17 | 156.7° | 64.3° |
| C3B | C4B | C5B | H18 | 36.8° | 55.7° |
| C4B | C3B | C2B | H24 | 69.5° | 97.3° |
| O4B | C1B | C2B | C3B | 51.4° | 37.0° |
| O4B | C1B | C2B | N9A | 124.7° | 118.5° |
| O4B | C1B | C2B | H23 | 115.9° | 118.4° |
| O4B | C1B | N9A | H23 | 127.6° | 123.0° |
| O4B | C1B | C2B | O2B | 175.1° | 155.2° |
| O4B | C1B | N9A | C8A | 51.1° | 23.5° |
| O4B | C1B | N9A | C4A | 132.4° | 156.2° |
| C1B | O4B | C4B | H19 | 106.5° | 93.1° |
| O4B | C1B | C2B | H24 | 61.9° | 81.3° |
| O3B | C3B | C2B | H20 | 130.8° | 122.6° |
| O3B | C3B | C2B | C1B | 65.8° | 97.8° |
| C3B | O3B | P2' | OP3 | 179.8° | 55.0° |
| O3B | C3B | C2B | O2B | 57.1° | 20.4° |
| C3B | O3B | P2' | OP1 | 57.0° | 65.0° |
| C3B | O3B | P2' | OP2 | 63.5° | 175.0° |
| O3B | C3B | C4B | H19 | 23.5° | 1.2° |
| O3B | C3B | C2B | H24 | 179.0° | 144.0° |
| C2B | C3B | O3B | P2' | 60.2° | 125.2° |
| C3B | C2B | C1B | O2B | 123.7° | 118.2° |
| C3B | C2B | C1B | H24 | 113.3° | 118.3° |
| C3B | C2B | C1B | N9A | 176.1° | 155.5° |
| C3B | C2B | O2B | H24 | 123.3° | 123.6° |
| C2B | C3B | C4B | H19 | 139.5° | 117.5° |
| C3B | C2B | C1B | H23 | 64.5° | 81.4° |
| C3B | C2B | O2B | H25 | 180.0° | 180.0° |
| O3B | P2' | OP3 | OP1 | 113.0° | 120.0° |
| O3B | P2' | OP3 | OP2 | 114.3° | 120.0° |
| O3B | P2' | OP1 | OP2 | 117.2° | 120.0° |
| P2' | O3B | C3B | H20 | 69.8° | 2.5° |
| O3B | P2' | OP2 | H21 | 109.6° | 180.0° |
| O3B | P2' | OP1 | H22 | 110.7° | 60.0° |
| C2B | C1B | N9A | H23 | 119.0° | 123.0° |
| C1B | C2B | O2B | H24 | 122.2° | 123.6° |
| C2B | C1B | N9A | C8A | 62.3° | 90.5° |
| C2B | C1B | N9A | C4A | 114.2° | 89.7° |
| C1B | C2B | C3B | H20 | 163.4° | 139.6° |
| C1B | C2B | O2B | H25 | 65.5° | 67.3° |
| N9A | C1B | C2B | O2B | 60.2° | 86.3° |
| C1B | N9A | C8A | C4A | 177.0° | 179.8° |
| C1B | N9A | C8A | N7A | 178.3° | 179.8° |
| C1B | N9A | C4A | N3A | 3.0° | 0.1° |
| C1B | N9A | C4A | C5A | 178.6° | 180.0° |
| N9A | C1B | C2B | H24 | 62.8° | 37.3° |
| C1B | N9A | C8A | H29 | 1.7° | 0.1° |
| OP3 | P2' | OP1 | OP2 | 132.1° | 120.0° |
| OP3 | P2' | OP2 | H21 | 0.0° | 60.0° |
| OP3 | P2' | OP1 | H22 | 0.0° | 179.9° |
| O2B | C2B | C3B | H20 | 73.7° | 102.2° |
| O2B | C2B | C1B | H23 | 59.2° | 36.8° |
| OP1 | P2' | OP2 | H21 | 135.3° | 60.0° |
| OP2 | P2' | OP1 | H22 | 132.1° | 60.0° |
| N9A | C8A | N7A | H29 | 180.0° | 179.8° |
| C8A | N9A | C4A | N3A | 179.8° | 179.7° |
| C8A | N9A | C4A | C5A | 1.5° | 0.2° |
| N9A | C8A | N7A | C5A | 0.4° | 0.4° |
| C8A | N9A | C1B | H23 | 178.7° | 146.5° |
| C4A | N9A | C8A | N7A | 1.2° | 0.4° |
| N9A | C4A | N3A | C5A | 178.2° | 179.9° |
| N9A | C4A | C5A | N7A | 1.3° | 0.1° |
| N9A | C4A | N3A | C2A | 179.0° | 179.9° |
| N9A | C4A | C5A | C6A | 179.7° | 180.0° |
| C4A | N9A | C1B | H23 | 4.8° | 33.2° |
| C4A | N9A | C8A | H29 | 178.8° | 179.8° |
| C8A | N7A | C5A | C4A | 0.5° | 0.3° |
| C8A | N7A | C5A | C6A | 179.2° | 179.7° |
| N3A | C4A | C5A | N7A | 179.8° | 180.0° |
| N3A | C4A | C5A | C6A | 1.2° | 0.1° |
| C4A | N3A | C2A | N1A | 0.2° | 0.0° |
| C4A | N3A | C2A | H26 | 179.8° | 179.9° |
| C4A | C5A | N7A | C6A | 178.7° | 180.0° |
| C5A | C4A | N3A | C2A | 0.8° | 0.0° |
| C4A | C5A | C6A | N1A | 0.6° | 0.0° |
| C4A | C5A | C6A | N6A | 179.0° | 179.9° |
| N7A | C5A | C6A | N1A | 179.2° | 180.0° |
| N7A | C5A | C6A | N6A | 0.4° | 0.0° |
| C5A | N7A | C8A | H29 | 179.6° | 179.8° |
| N3A | C2A | N1A | H26 | 180.0° | 179.9° |
| N3A | C2A | N1A | C6A | 0.8° | 0.1° |
| C5A | C6A | N1A | C2A | 0.4° | 0.1° |
| C5A | C6A | N1A | N6A | 179.6° | 180.0° |
| C5A | C6A | N6A | H27 | 179.6° | 0.0° |
| C5A | C6A | N6A | H28 | 60.4° | 179.9° |
| C2A | N1A | C6A | N6A | 180.0° | 180.0° |
| C6A | N1A | C2A | H26 | 179.2° | 180.0° |
| N1A | C6A | N6A | H27 | 0.0° | 180.0° |
| N1A | C6A | N6A | H28 | 120.0° | 0.1° |
| C6A | N6A | H27 | H28 | 120.0° | 179.9° |
| H4 | C4N | C5N | H5 | 57.7° | 43.5° |
| H5 | C5N | C6N | H6 | 1.2° | 0.4° |
| H5 | C5N | C4N | H30 | 59.9° | 75.8° |
| H7 | C1M | C2M | H8 | 165.2° | 146.3° |
| H8 | C2M | O2M | H9 | 56.4° | 57.4° |
| H8 | C2M | C3M | H10 | 36.1° | 0.1° |
| H10 | C3M | O3M | H11 | 53.9° | 61.1° |
| H10 | C3M | C4M | H12 | 106.0° | 146.5° |
| H12 | C4M | C5M | H13 | 46.1° | 64.2° |
| H12 | C4M | C5M | H14 | 74.4° | 175.8° |
| H17 | C5B | C4B | H19 | 83.9° | 174.6° |
| H18 | C5B | C4B | H19 | 156.3° | 65.4° |
| H19 | C4B | C3B | H20 | 100.6° | 123.7° |
| H20 | C3B | C2B | H24 | 50.2° | 21.4° |
| H23 | C1B | C2B | H24 | 177.8° | 160.3° |
| H24 | C2B | O2B | H25 | 56.7° | 56.3° |
