80F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2A | N1A | doub | 1.32Å | 1.36Å | Aromatic |
| C2A | N3A | sing | 1.32Å | 1.35Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.35Å | Aromatic |
| N3A | C4A | doub | 1.33Å | 1.36Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.35Å | |
| C6A | C5A | doub | 1.41Å | 1.48Å | Aromatic |
| C4A | C5A | sing | 1.41Å | 1.47Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.33Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.34Å | Aromatic |
| N9A | C1B | sing | 1.47Å | 1.48Å | |
| N9A | C8A | sing | 1.36Å | 1.35Å | Aromatic |
| C1B | O4B | sing | 1.44Å | 1.43Å | |
| C1B | C2B | sing | 1.54Å | 1.52Å | |
| N7A | C8A | doub | 1.30Å | 1.34Å | Aromatic |
| O2B | C2B | sing | 1.43Å | 1.43Å | |
| O4B | C4B | sing | 1.44Å | 1.43Å | |
| O3B | C3B | sing | 1.43Å | 1.43Å | |
| C2B | C3B | sing | 1.55Å | 1.51Å | |
| C4B | C3B | sing | 1.54Å | 1.52Å | |
| C4B | C5B | sing | 1.53Å | 1.52Å | |
| C5B | O5B | sing | 1.43Å | 1.42Å | |
| C5D | C4D | sing | 1.53Å | 1.53Å | |
| C5D | O5D | sing | 1.43Å | 1.42Å | |
| C4D | O4D | sing | 1.44Å | 1.43Å | |
| C4D | C3D | sing | 1.54Å | 1.52Å | |
| O5B | PA | sing | 1.61Å | 1.59Å | |
| O3D | C3D | sing | 1.43Å | 1.43Å | |
| O4D | C1D | sing | 1.44Å | 1.44Å | |
| O2N | PN | doub | 1.48Å | 1.50Å | |
| O3 | PA | sing | 1.61Å | 1.59Å | |
| O3 | PN | sing | 1.61Å | 1.60Å | |
| C3D | C2D | sing | 1.55Å | 1.52Å | |
| O5D | PN | sing | 1.61Å | 1.60Å | |
| PA | O1A | doub | 1.48Å | 1.51Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| C1D | C2D | sing | 1.55Å | 1.53Å | |
| C1D | N1N | sing | 1.47Å | 1.50Å | |
| PN | O1N | sing | 1.61Å | 1.50Å | |
| C2D | O2D | sing | 1.43Å | 1.43Å | |
| C6N | N1N | sing | 1.39Å | 1.43Å | |
| C6N | C5N | doub | 1.31Å | 1.37Å | |
| N1N | C2N | sing | 1.37Å | 1.40Å | |
| C5N | C4N | sing | 1.50Å | 1.51Å | |
| C2N | C3N | doub | 1.35Å | 1.35Å | |
| C3N | C4N | sing | 1.50Å | 1.50Å | |
| C3N | C7N | sing | 1.41Å | 1.48Å | |
| C4N | SG | sing | 1.81Å | 1.92Å | |
| C7N | N7N | sing | 1.35Å | 1.34Å | |
| C7N | O7N | doub | 1.22Å | 1.22Å | |
| SG | CB | sing | 1.81Å | 1.76Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| 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 | |
| O2B | H8 | sing | 0.97Å | 0.95Å | |
| C1B | H9 | sing | 1.09Å | 1.10Å | |
| C8A | H10 | sing | 1.08Å | 1.08Å | |
| N6A | H11 | sing | 0.97Å | 1.00Å | |
| N6A | H12 | sing | 0.97Å | 1.00Å | |
| C2A | H13 | sing | 1.08Å | 1.08Å | |
| O1N | H14 | sing | 0.97Å | 0.95Å | |
| C5D | H15 | sing | 1.09Å | 1.10Å | |
| C5D | H16 | sing | 1.09Å | 1.10Å | |
| C4D | H17 | sing | 1.09Å | 1.10Å | |
| C3D | H18 | sing | 1.09Å | 1.10Å | |
| O3D | H19 | sing | 0.97Å | 0.95Å | |
| C2D | H20 | sing | 1.09Å | 1.10Å | |
| O2D | H21 | sing | 0.97Å | 0.95Å | |
| C1D | H22 | sing | 1.09Å | 1.10Å | |
| C2N | H23 | sing | 1.08Å | 1.08Å | |
| C4N | H24 | sing | 1.09Å | 1.10Å | |
| C5N | H25 | sing | 1.08Å | 1.08Å | |
| C6N | H27 | sing | 1.08Å | 1.08Å | |
| OXT | H29 | sing | 0.97Å | 0.95Å | |
| CA | H30 | sing | 1.09Å | 1.10Å | |
| N | H31 | sing | 1.01Å | 1.00Å | |
| N | H32 | sing | 1.01Å | 1.00Å | |
| CB | H34 | sing | 1.09Å | 1.10Å | |
| CB | H35 | sing | 1.09Å | 1.10Å | |
| N7N | H36 | sing | 0.97Å | 1.00Å | |
| N7N | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1A | C2A | N3A | 122.6° | 122.5° |
| C2A | N1A | C6A | 122.6° | 121.2° |
| N1A | C2A | H13 | 118.7° | 118.8° |
| C2A | N3A | C4A | 120.7° | 120.6° |
| N3A | C2A | H13 | 118.7° | 118.7° |
| N1A | C6A | N6A | 122.3° | 120.8° |
| N1A | C6A | C5A | 117.6° | 118.5° |
| N3A | C4A | C5A | 119.4° | 119.2° |
| N3A | C4A | N9A | 135.5° | 134.9° |
| N6A | C6A | C5A | 120.2° | 120.7° |
| C6A | N6A | H11 | 109.5° | 120.0° |
| C6A | N6A | H12 | 109.5° | 120.0° |
| C6A | C5A | C4A | 117.1° | 118.1° |
| C6A | C5A | N7A | 135.5° | 134.7° |
| C5A | C4A | N9A | 105.1° | 106.0° |
| C4A | C5A | N7A | 107.4° | 107.2° |
| C4A | N9A | C1B | 124.8° | 126.3° |
| C4A | N9A | C8A | 109.4° | 107.4° |
| C5A | N7A | C8A | 107.6° | 109.4° |
| C1B | N9A | C8A | 125.8° | 126.3° |
| N9A | C1B | O4B | 109.1° | 110.4° |
| N9A | C1B | C2B | 111.6° | 110.4° |
| N9A | C1B | H9 | 110.1° | 110.4° |
| N9A | C8A | N7A | 110.5° | 110.0° |
| N9A | C8A | H10 | 124.7° | 125.1° |
| O4B | C1B | C2B | 105.6° | 104.8° |
| C1B | O4B | C4B | 110.6° | 105.3° |
| O4B | C1B | H9 | 110.8° | 110.4° |
| C1B | C2B | O2B | 113.1° | 110.7° |
| C1B | C2B | C3B | 101.9° | 104.0° |
| C1B | C2B | H7 | 109.3° | 110.5° |
| C2B | C1B | H9 | 109.6° | 110.4° |
| N7A | C8A | H10 | 124.8° | 124.9° |
| O2B | C2B | C3B | 112.1° | 110.5° |
| O2B | C2B | H7 | 110.6° | 110.5° |
| C2B | O2B | H8 | 109.5° | 114.0° |
| O4B | C4B | C3B | 106.1° | 104.8° |
| O4B | C4B | C5B | 108.5° | 110.4° |
| O4B | C4B | H4 | 110.9° | 110.5° |
| O3B | C3B | C2B | 109.8° | 110.7° |
| O3B | C3B | C4B | 108.6° | 110.5° |
| O3B | C3B | H5 | 112.3° | 110.4° |
| C3B | O3B | H6 | 109.5° | 114.0° |
| C2B | C3B | C4B | 103.6° | 104.1° |
| C2B | C3B | H5 | 111.1° | 110.5° |
| C3B | C2B | H7 | 109.4° | 110.5° |
| C3B | C4B | C5B | 112.2° | 110.4° |
| C3B | C4B | H4 | 109.5° | 110.4° |
| C4B | C3B | H5 | 111.0° | 110.5° |
| C4B | C5B | O5B | 109.7° | 109.5° |
| C4B | C5B | H2 | 109.4° | 109.5° |
| C4B | C5B | H3 | 109.4° | 109.5° |
| C5B | C4B | H4 | 109.6° | 110.3° |
| C5B | O5B | PA | 117.7° | 123.0° |
| O5B | C5B | H2 | 109.4° | 109.5° |
| O5B | C5B | H3 | 109.4° | 109.4° |
| C4D | C5D | O5D | 110.9° | 109.5° |
| C5D | C4D | O4D | 111.4° | 109.9° |
| C5D | C4D | C3D | 110.5° | 109.9° |
| C4D | C5D | H15 | 109.1° | 109.4° |
| C4D | C5D | H16 | 109.1° | 109.5° |
| C5D | C4D | H17 | 108.8° | 109.9° |
| C5D | O5D | PN | 120.6° | 123.0° |
| O5D | C5D | H15 | 109.1° | 109.5° |
| O5D | C5D | H16 | 109.1° | 109.5° |
| O4D | C4D | C3D | 107.3° | 107.3° |
| C4D | O4D | C1D | 110.7° | 106.9° |
| O4D | C4D | H17 | 110.0° | 109.8° |
| C4D | C3D | O3D | 107.7° | 110.5° |
| C4D | C3D | C2D | 104.3° | 104.2° |
| C3D | C4D | H17 | 108.8° | 110.0° |
| C4D | C3D | H18 | 110.5° | 110.5° |
| O5B | PA | O3 | 104.0° | 109.5° |
| O5B | PA | O1A | 107.8° | 109.5° |
| O5B | PA | O2A | 112.8° | 109.5° |
| O3D | C3D | C2D | 111.8° | 110.5° |
| O3D | C3D | H18 | 111.7° | 110.5° |
| C3D | O3D | H19 | 109.5° | 114.0° |
| O4D | C1D | C2D | 103.3° | 103.5° |
| O4D | C1D | N1N | 115.7° | 110.6° |
| O4D | C1D | H22 | 108.7° | 110.6° |
| O2N | PN | O3 | 105.4° | 109.5° |
| O2N | PN | O5D | 110.5° | 109.5° |
| O2N | PN | O1N | 111.4° | 109.5° |
| PA | O3 | PN | 130.5° | 134.0° |
| O3 | PA | O1A | 107.1° | 109.5° |
| O3 | PA | O2A | 111.7° | 109.4° |
| O3 | PN | O5D | 103.8° | 109.4° |
| O3 | PN | O1N | 115.0° | 109.5° |
| C3D | C2D | C1D | 104.4° | 102.1° |
| C3D | C2D | O2D | 111.4° | 110.9° |
| C2D | C3D | H18 | 110.5° | 110.5° |
| C3D | C2D | H20 | 108.8° | 110.9° |
| O5D | PN | O1N | 110.4° | 109.4° |
| O1A | PA | O2A | 112.8° | 109.5° |
| PA | O2A | H1 | 109.5° | 114.0° |
| C2D | C1D | N1N | 113.6° | 110.7° |
| C1D | C2D | O2D | 113.3° | 110.9° |
| C1D | C2D | H20 | 108.7° | 110.9° |
| C2D | C1D | H22 | 107.4° | 110.6° |
| C1D | N1N | C6N | 117.4° | 119.9° |
| C1D | N1N | C2N | 112.9° | 120.0° |
| N1N | C1D | H22 | 107.8° | 110.7° |
| PN | O1N | H14 | 109.5° | 114.0° |
| O2D | C2D | H20 | 110.0° | 110.8° |
| C2D | O2D | H21 | 109.5° | 114.0° |
| N1N | C6N | C5N | 120.5° | 121.0° |
| C6N | N1N | C2N | 111.8° | 120.1° |
| N1N | C6N | H27 | 119.8° | 119.6° |
| C6N | C5N | C4N | 106.8° | 121.8° |
| C6N | C5N | H25 | 126.6° | 119.1° |
| C5N | C6N | H27 | 119.7° | 119.4° |
| N1N | C2N | C3N | 116.2° | 120.5° |
| N1N | C2N | H23 | 121.9° | 119.8° |
| C5N | C4N | C3N | 113.9° | 110.9° |
| C5N | C4N | SG | 117.5° | 109.2° |
| C5N | C4N | H24 | 102.6° | 109.1° |
| C4N | C5N | H25 | 126.6° | 119.1° |
| C2N | C3N | C4N | 112.1° | 121.3° |
| C2N | C3N | C7N | 121.3° | 119.4° |
| C3N | C2N | H23 | 121.9° | 119.7° |
| C4N | C3N | C7N | 126.6° | 119.3° |
| C3N | C4N | SG | 116.6° | 109.2° |
| C3N | C4N | H24 | 102.6° | 109.2° |
| C3N | C7N | N7N | 117.6° | 120.0° |
| C3N | C7N | O7N | 121.3° | 120.0° |
| C4N | SG | CB | 105.8° | 103.0° |
| SG | C4N | H24 | 99.8° | 109.2° |
| N7N | C7N | O7N | 121.1° | 120.0° |
| C7N | N7N | H36 | 120.0° | 120.0° |
| C7N | N7N | H37 | 120.0° | 120.1° |
| SG | CB | CA | 111.9° | 109.5° |
| SG | CB | H34 | 108.9° | 109.5° |
| SG | CB | H35 | 108.9° | 109.5° |
| CB | CA | N | 105.7° | 109.5° |
| CB | CA | C | 108.8° | 109.5° |
| CB | CA | H30 | 110.0° | 109.5° |
| CA | CB | H34 | 108.9° | 109.4° |
| CA | CB | H35 | 108.8° | 109.4° |
| N | CA | C | 111.5° | 109.5° |
| N | CA | H30 | 110.5° | 109.4° |
| CA | N | H31 | 109.5° | 110.9° |
| CA | N | H32 | 109.5° | 111.0° |
| CA | C | O | 118.7° | 120.0° |
| CA | C | OXT | 118.6° | 120.0° |
| C | CA | H30 | 110.2° | 109.5° |
| O | C | OXT | 122.7° | 120.0° |
| C | OXT | H29 | 109.5° | 117.0° |
| H2 | C5B | H3 | 109.5° | 109.4° |
| H11 | N6A | H12 | 109.4° | 120.1° |
| H15 | C5D | H16 | 109.5° | 109.4° |
| H31 | N | H32 | 109.5° | 111.0° |
| H34 | CB | H35 | 109.4° | 109.5° |
| H36 | N7N | H37 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1A | C2A | N3A | H13 | 180.0° | 179.9° |
| N1A | C2A | N3A | C4A | 0.2° | 0.2° |
| C2A | N1A | C6A | N6A | 179.7° | 180.0° |
| C2A | N1A | C6A | C5A | 0.5° | 0.0° |
| N3A | C2A | N1A | C6A | 0.4° | 0.1° |
| C2A | N3A | C4A | C5A | 0.1° | 0.4° |
| C2A | N3A | C4A | N9A | 178.6° | 179.6° |
| N1A | C6A | N6A | C5A | 179.8° | 180.0° |
| N1A | C6A | C5A | C4A | 0.4° | 0.2° |
| N1A | C6A | C5A | N7A | 179.5° | 180.0° |
| N1A | C6A | N6A | H11 | 0.0° | 180.0° |
| N1A | C6A | N6A | H12 | 120.0° | 0.0° |
| C6A | N1A | C2A | H13 | 179.5° | 180.0° |
| N3A | C4A | C5A | C6A | 0.2° | 0.5° |
| N3A | C4A | C5A | N9A | 179.1° | 179.3° |
| N3A | C4A | C5A | N7A | 179.6° | 179.7° |
| N3A | C4A | N9A | C1B | 1.9° | 0.7° |
| N3A | C4A | N9A | C8A | 179.5° | 179.5° |
| C4A | N3A | C2A | H13 | 179.7° | 179.7° |
| N6A | C6A | C5A | C4A | 179.8° | 179.7° |
| N6A | C6A | C5A | N7A | 0.7° | 0.0° |
| C6A | N6A | H11 | H12 | 120.0° | 179.9° |
| C6A | C5A | C4A | N7A | 179.4° | 179.8° |
| C6A | C5A | C4A | N9A | 178.9° | 179.8° |
| C6A | C5A | N7A | C8A | 179.0° | 180.0° |
| C5A | C6A | N6A | H11 | 179.8° | 0.0° |
| C5A | C6A | N6A | H12 | 59.8° | 180.0° |
| C5A | C4A | N9A | C1B | 179.2° | 179.9° |
| C5A | C4A | N9A | C8A | 0.6° | 0.3° |
| C4A | C5A | N7A | C8A | 0.2° | 0.2° |
| N9A | C4A | C5A | N7A | 0.5° | 0.3° |
| C4A | N9A | C1B | C8A | 178.5° | 179.7° |
| C4A | N9A | C1B | O4B | 133.6° | 156.8° |
| C4A | N9A | C1B | C2B | 110.2° | 87.9° |
| C4A | N9A | C8A | N7A | 0.5° | 0.2° |
| C4A | N9A | C1B | H9 | 11.7° | 34.4° |
| C4A | N9A | C8A | H10 | 179.5° | 179.7° |
| C5A | N7A | C8A | N9A | 0.2° | 0.0° |
| C5A | N7A | C8A | H10 | 179.8° | 180.0° |
| N9A | C1B | O4B | C2B | 120.1° | 118.8° |
| N9A | C1B | O4B | H9 | 121.4° | 122.3° |
| N9A | C1B | C2B | H9 | 122.2° | 122.3° |
| C1B | N9A | C8A | N7A | 179.1° | 180.0° |
| N9A | C1B | C2B | O2B | 88.6° | 98.5° |
| N9A | C1B | O4B | C4B | 139.0° | 159.3° |
| N9A | C1B | C2B | C3B | 150.9° | 142.8° |
| N9A | C1B | C2B | H7 | 35.2° | 24.2° |
| C1B | N9A | C8A | H10 | 0.9° | 0.0° |
| C8A | N9A | C1B | O4B | 44.9° | 23.5° |
| C8A | N9A | C1B | C2B | 71.4° | 91.8° |
| N9A | C8A | N7A | H10 | 180.0° | 180.0° |
| C8A | N9A | C1B | H9 | 166.7° | 145.9° |
| O4B | C1B | C2B | H9 | 119.4° | 118.9° |
| O4B | C1B | C2B | O2B | 153.1° | 142.7° |
| O4B | C1B | C2B | C3B | 32.5° | 24.0° |
| C1B | O4B | C4B | C3B | 2.9° | 40.5° |
| C1B | O4B | C4B | C5B | 117.9° | 159.4° |
| C1B | O4B | C4B | H4 | 121.7° | 78.4° |
| O4B | C1B | C2B | H7 | 83.2° | 94.6° |
| C1B | C2B | O2B | C3B | 114.6° | 114.7° |
| C1B | C2B | O2B | H7 | 123.0° | 122.7° |
| C2B | C1B | O4B | C4B | 18.9° | 40.5° |
| C1B | C2B | C3B | O3B | 82.3° | 118.7° |
| C1B | C2B | C3B | H7 | 115.7° | 118.6° |
| C1B | C2B | C3B | C4B | 33.5° | 0.0° |
| C1B | C2B | C3B | H5 | 152.8° | 118.7° |
| C1B | C2B | O2B | H8 | 180.0° | 176.1° |
| O2B | C2B | C3B | O3B | 38.9° | 0.1° |
| O2B | C2B | C3B | H7 | 123.1° | 122.6° |
| O2B | C2B | C3B | C4B | 154.8° | 118.8° |
| O2B | C2B | C3B | H5 | 85.9° | 122.5° |
| O2B | C2B | C1B | H9 | 33.6° | 23.8° |
| O4B | C4B | C3B | O3B | 93.3° | 142.8° |
| O4B | C4B | C3B | C2B | 23.4° | 24.0° |
| O4B | C4B | C3B | C5B | 118.3° | 118.8° |
| O4B | C4B | C3B | H4 | 119.7° | 119.0° |
| O4B | C4B | C5B | H4 | 121.2° | 122.4° |
| O4B | C4B | C5B | O5B | 168.3° | 69.6° |
| O4B | C4B | C5B | H2 | 48.3° | 50.4° |
| O4B | C4B | C5B | H3 | 71.6° | 170.4° |
| O4B | C4B | C3B | H5 | 142.8° | 94.7° |
| C4B | O4B | C1B | H9 | 99.7° | 78.3° |
| O3B | C3B | C2B | C4B | 115.8° | 118.7° |
| O3B | C3B | C2B | H5 | 124.9° | 122.6° |
| O3B | C3B | C4B | H5 | 124.0° | 122.5° |
| O3B | C3B | C4B | C5B | 148.4° | 98.4° |
| O3B | C3B | C4B | H4 | 26.5° | 23.8° |
| O3B | C3B | C2B | H7 | 162.0° | 122.7° |
| C2B | C3B | C4B | H5 | 119.4° | 118.6° |
| C2B | C3B | C4B | C5B | 94.9° | 142.8° |
| C2B | C3B | C4B | H4 | 143.1° | 95.0° |
| C2B | C3B | O3B | H6 | 180.0° | 65.3° |
| C3B | C2B | O2B | H8 | 65.4° | 61.4° |
| C3B | C2B | C1B | H9 | 86.9° | 94.9° |
| C3B | C4B | C5B | H4 | 121.9° | 122.2° |
| C3B | C4B | C5B | O5B | 51.5° | 175.0° |
| C3B | C4B | C5B | H2 | 68.5° | 65.0° |
| C3B | C4B | C5B | H3 | 171.5° | 55.0° |
| C4B | C3B | O3B | H6 | 67.4° | 180.0° |
| C4B | C3B | C2B | H7 | 82.2° | 118.6° |
| C4B | C5B | O5B | H2 | 120.0° | 120.0° |
| C4B | C5B | O5B | H3 | 120.1° | 120.0° |
| C4B | C5B | O5B | PA | 152.5° | 180.0° |
| C4B | C5B | H2 | H3 | 119.9° | 120.0° |
| C5B | C4B | C3B | H5 | 24.4° | 24.2° |
| C5B | O5B | PA | O3 | 62.3° | 175.0° |
| C5B | O5B | PA | O1A | 51.2° | 55.0° |
| C5B | O5B | PA | O2A | 176.5° | 65.0° |
| O5B | C5B | H2 | H3 | 119.9° | 119.9° |
| O5B | C5B | C4B | H4 | 70.4° | 52.7° |
| C4D | C5D | O5D | H15 | 120.2° | 120.0° |
| C4D | C5D | O5D | H16 | 120.2° | 120.1° |
| C5D | C4D | O4D | C3D | 121.1° | 119.5° |
| C5D | C4D | O4D | H17 | 120.7° | 121.0° |
| C5D | C4D | C3D | H17 | 119.4° | 121.1° |
| C5D | C4D | C3D | O3D | 128.1° | 119.8° |
| C5D | C4D | O4D | C1D | 133.3° | 146.0° |
| C5D | C4D | C3D | C2D | 113.0° | 121.5° |
| C4D | C5D | O5D | PN | 170.7° | 180.0° |
| C4D | C5D | H15 | H16 | 119.3° | 120.0° |
| C5D | C4D | C3D | H18 | 5.8° | 2.8° |
| O5D | C5D | C4D | O4D | 52.7° | 66.4° |
| O5D | C5D | C4D | C3D | 66.5° | 175.7° |
| C5D | O5D | PN | O2N | 72.4° | 55.0° |
| C5D | O5D | PN | O3 | 40.2° | 175.0° |
| C5D | O5D | PN | O1N | 163.9° | 65.0° |
| O5D | C5D | H15 | H16 | 119.3° | 120.0° |
| O5D | C5D | C4D | H17 | 174.1° | 54.6° |
| O4D | C4D | C3D | H17 | 119.0° | 119.4° |
| O4D | C4D | C3D | O3D | 110.2° | 120.7° |
| O4D | C4D | C3D | C2D | 8.7° | 2.0° |
| C4D | O4D | C1D | C2D | 27.5° | 40.0° |
| C4D | O4D | C1D | N1N | 152.3° | 158.5° |
| O4D | C4D | C5D | H15 | 67.5° | 53.6° |
| O4D | C4D | C5D | H16 | 172.9° | 173.5° |
| O4D | C4D | C3D | H18 | 127.4° | 116.7° |
| C4D | O4D | C1D | H22 | 86.3° | 78.5° |
| C4D | C3D | O3D | C2D | 114.0° | 114.8° |
| C4D | C3D | O3D | H18 | 121.6° | 122.6° |
| C3D | C4D | O4D | C1D | 12.2° | 26.5° |
| C4D | C3D | C2D | H18 | 118.8° | 118.7° |
| C4D | C3D | C2D | C1D | 24.6° | 20.9° |
| C4D | C3D | C2D | O2D | 147.3° | 139.1° |
| C3D | C4D | C5D | H15 | 173.3° | 64.3° |
| C3D | C4D | C5D | H16 | 53.7° | 55.6° |
| C4D | C3D | O3D | H19 | 180.0° | 180.0° |
| C4D | C3D | C2D | H20 | 91.2° | 97.3° |
| O5B | PA | O3 | O1A | 114.0° | 120.0° |
| O5B | PA | O3 | O2A | 122.0° | 120.0° |
| O5B | PA | O3 | PN | 145.0° | 160.0° |
| O5B | PA | O1A | O2A | 125.3° | 120.0° |
| O5B | PA | O2A | H1 | 122.5° | 60.0° |
| PA | O5B | C5B | H2 | 87.5° | 59.9° |
| PA | O5B | C5B | H3 | 32.5° | 60.0° |
| O3D | C3D | C2D | H18 | 125.1° | 122.6° |
| O3D | C3D | C2D | C1D | 91.5° | 97.8° |
| O3D | C3D | C2D | O2D | 31.1° | 20.4° |
| O3D | C3D | C4D | H17 | 8.8° | 1.2° |
| O3D | C3D | C2D | H20 | 152.6° | 144.0° |
| O4D | C1D | C2D | C3D | 31.7° | 37.0° |
| O4D | C1D | C2D | N1N | 126.1° | 118.5° |
| O4D | C1D | C2D | H22 | 114.7° | 118.5° |
| O4D | C1D | N1N | H22 | 121.9° | 122.9° |
| O4D | C1D | C2D | O2D | 153.1° | 155.2° |
| O4D | C1D | N1N | C6N | 81.7° | 53.4° |
| O4D | C1D | N1N | C2N | 50.6° | 126.5° |
| C1D | O4D | C4D | H17 | 106.1° | 93.1° |
| O4D | C1D | C2D | H20 | 84.3° | 81.2° |
| O2N | PN | O3 | PA | 109.2° | 40.0° |
| O2N | PN | O3 | O5D | 116.2° | 120.0° |
| O2N | PN | O3 | O1N | 123.1° | 120.0° |
| O2N | PN | O5D | O1N | 123.7° | 120.0° |
| O2N | PN | O1N | H14 | 0.0° | 180.0° |
| PA | O3 | PN | O5D | 134.6° | 160.0° |
| O3 | PA | O1A | O2A | 123.3° | 120.0° |
| PA | O3 | PN | O1N | 14.0° | 80.0° |
| O3 | PA | O2A | H1 | 120.7° | 60.0° |
| O3 | PN | O5D | O1N | 123.7° | 120.0° |
| PN | O3 | PA | O1A | 101.0° | 40.0° |
| PN | O3 | PA | O2A | 23.0° | 80.0° |
| O3 | PN | O1N | H14 | 119.9° | 59.9° |
| C3D | C2D | C1D | O2D | 121.4° | 118.2° |
| C3D | C2D | C1D | H20 | 116.0° | 118.2° |
| C3D | C2D | C1D | N1N | 157.9° | 155.5° |
| C3D | C2D | O2D | H20 | 120.8° | 123.6° |
| C2D | C3D | C4D | H17 | 127.7° | 117.4° |
| C2D | C3D | O3D | H19 | 66.0° | 65.2° |
| C3D | C2D | O2D | H21 | 180.0° | 61.5° |
| C3D | C2D | C1D | H22 | 83.0° | 81.5° |
| O5D | PN | O1N | H14 | 123.1° | 60.0° |
| PN | O5D | C5D | H15 | 69.0° | 60.0° |
| PN | O5D | C5D | H16 | 50.5° | 59.9° |
| O1A | PA | O2A | H1 | 0.0° | 180.0° |
| C2D | C1D | N1N | H22 | 118.9° | 122.9° |
| C1D | C2D | O2D | H20 | 121.9° | 123.7° |
| C2D | C1D | N1N | C6N | 159.1° | 60.7° |
| C2D | C1D | N1N | C2N | 68.6° | 119.4° |
| C1D | C2D | C3D | H18 | 143.4° | 139.6° |
| C1D | C2D | O2D | H21 | 62.7° | 174.2° |
| N1N | C1D | C2D | O2D | 80.8° | 86.3° |
| C1D | N1N | C6N | C2N | 132.8° | 179.8° |
| C1D | N1N | C6N | C5N | 178.2° | 162.5° |
| C1D | N1N | C2N | C3N | 174.3° | 162.6° |
| N1N | C1D | C2D | H20 | 41.8° | 37.3° |
| C1D | N1N | C2N | H23 | 5.7° | 17.5° |
| C1D | N1N | C6N | H27 | 1.8° | 17.7° |
| O2D | C2D | C3D | H18 | 94.0° | 102.2° |
| O2D | C2D | C1D | H22 | 38.4° | 36.7° |
| N1N | C6N | C5N | H27 | 180.0° | 179.8° |
| N1N | C6N | C5N | C4N | 4.5° | 0.7° |
| C6N | N1N | C2N | C3N | 50.7° | 17.3° |
| C6N | N1N | C1D | H22 | 40.2° | 176.3° |
| C6N | N1N | C2N | H23 | 129.3° | 162.7° |
| N1N | C6N | C5N | H25 | 175.5° | 179.5° |
| C5N | C6N | N1N | C2N | 45.4° | 17.3° |
| C6N | C5N | C4N | H25 | 180.0° | 179.8° |
| C6N | C5N | C4N | C3N | 49.7° | 16.3° |
| C6N | C5N | C4N | SG | 92.0° | 104.0° |
| C6N | C5N | C4N | H24 | 159.7° | 136.7° |
| N1N | C2N | C3N | H23 | 180.0° | 180.0° |
| N1N | C2N | C3N | C4N | 6.3° | 0.5° |
| N1N | C2N | C3N | C7N | 171.8° | 179.6° |
| C2N | N1N | C1D | H22 | 172.5° | 3.5° |
| C2N | N1N | C6N | H27 | 134.6° | 162.5° |
| C5N | C4N | C3N | C2N | 45.6° | 16.2° |
| C5N | C4N | C3N | SG | 142.0° | 120.4° |
| C5N | C4N | C3N | H24 | 110.1° | 120.4° |
| C5N | C4N | C3N | C7N | 136.4° | 163.8° |
| C5N | C4N | SG | H24 | 109.9° | 119.2° |
| C5N | C4N | SG | CB | 157.9° | 63.6° |
| C4N | C5N | C6N | H27 | 175.5° | 179.5° |
| C2N | C3N | C4N | C7N | 178.0° | 180.0° |
| C2N | C3N | C4N | SG | 96.4° | 104.2° |
| C2N | C3N | C7N | N7N | 26.6° | 180.0° |
| C2N | C3N | C7N | O7N | 153.9° | 0.0° |
| C2N | C3N | C4N | H24 | 155.7° | 136.5° |
| C3N | C4N | SG | H24 | 109.5° | 119.3° |
| C4N | C3N | C7N | N7N | 151.2° | 0.0° |
| C4N | C3N | C7N | O7N | 28.3° | 180.0° |
| C3N | C4N | SG | CB | 17.3° | 175.0° |
| C4N | C3N | C2N | H23 | 173.7° | 179.5° |
| C3N | C4N | C5N | H25 | 130.3° | 163.9° |
| C7N | C3N | C4N | SG | 81.6° | 75.8° |
| C3N | C7N | N7N | O7N | 179.5° | 180.0° |
| C7N | C3N | C2N | H23 | 8.2° | 0.4° |
| C7N | C3N | C4N | H24 | 26.3° | 43.5° |
| C3N | C7N | N7N | H36 | 179.5° | 0.0° |
| C3N | C7N | N7N | H37 | 0.5° | 180.0° |
| C4N | SG | CB | CA | 170.6° | 180.0° |
| SG | C4N | C5N | H25 | 88.1° | 75.8° |
| C4N | SG | CB | H34 | 69.0° | 60.0° |
| C4N | SG | CB | H35 | 50.2° | 60.0° |
| C7N | N7N | H36 | H37 | 180.0° | 179.9° |
| O7N | C7N | N7N | H36 | 0.0° | 180.0° |
| O7N | C7N | N7N | H37 | 180.0° | 0.1° |
| SG | CB | CA | H34 | 120.4° | 120.0° |
| SG | CB | CA | H35 | 120.4° | 120.0° |
| SG | CB | CA | N | 160.1° | 59.9° |
| SG | CB | CA | C | 80.1° | 180.0° |
| CB | SG | C4N | H24 | 92.2° | 55.7° |
| SG | CB | CA | H30 | 40.7° | 60.0° |
| SG | CB | H34 | H35 | 118.9° | 120.0° |
| CB | CA | N | C | 118.0° | 120.1° |
| CB | CA | N | H30 | 119.0° | 120.0° |
| CB | CA | C | H30 | 120.6° | 120.0° |
| CB | CA | C | O | 81.9° | 100.0° |
| CB | CA | C | OXT | 97.9° | 79.9° |
| CB | CA | N | H31 | 180.0° | 60.1° |
| CB | CA | N | H32 | 60.0° | 63.9° |
| CA | CB | H34 | H35 | 118.9° | 119.9° |
| N | CA | C | H30 | 123.1° | 119.9° |
| N | CA | C | O | 161.9° | 20.1° |
| N | CA | C | OXT | 18.3° | 160.0° |
| CA | N | H31 | H32 | 120.0° | 123.9° |
| N | CA | CB | H34 | 79.5° | 60.1° |
| N | CA | CB | H35 | 39.7° | 180.0° |
| CA | C | O | OXT | 179.8° | 179.9° |
| CA | C | OXT | H29 | 179.8° | 180.0° |
| C | CA | N | H31 | 61.9° | 60.0° |
| C | CA | N | H32 | 58.0° | 176.0° |
| C | CA | CB | H34 | 40.3° | 60.0° |
| C | CA | CB | H35 | 159.6° | 60.0° |
| O | C | OXT | H29 | 0.0° | 0.1° |
| O | C | CA | H30 | 38.8° | 140.0° |
| OXT | C | CA | H30 | 141.4° | 40.1° |
| H2 | C5B | C4B | H4 | 169.5° | 172.8° |
| H3 | C5B | C4B | H4 | 49.6° | 67.2° |
| H4 | C4B | C3B | H5 | 97.5° | 146.4° |
| H5 | C3B | O3B | H6 | 55.8° | 57.4° |
| H5 | C3B | C2B | H7 | 37.1° | 0.0° |
| H7 | C2B | O2B | H8 | 57.0° | 61.1° |
| H7 | C2B | C1B | H9 | 157.4° | 146.5° |
| H15 | C5D | C4D | H17 | 53.9° | 174.6° |
| H16 | C5D | C4D | H17 | 65.7° | 65.5° |
| H17 | C4D | C3D | H18 | 113.6° | 123.8° |
| H18 | C3D | O3D | H19 | 58.4° | 57.4° |
| H18 | C3D | C2D | H20 | 27.5° | 21.4° |
| H20 | C2D | O2D | H21 | 59.2° | 62.2° |
| H20 | C2D | C1D | H22 | 161.0° | 160.3° |
| H24 | C4N | C5N | H25 | 20.2° | 43.5° |
| H25 | C5N | C6N | H27 | 4.5° | 0.3° |
| H30 | CA | N | H31 | 61.0° | 180.0° |
| H30 | CA | N | H32 | 179.0° | 56.1° |
| H30 | CA | CB | H34 | 161.1° | 180.0° |
| H30 | CA | CB | H35 | 79.7° | 60.0° |
