DB5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CV | CM | sing | 1.52Å | 1.49Å | |
| CV | CK | sing | 1.49Å | 1.48Å | |
| CM | CL | sing | 1.54Å | 1.57Å | |
| CK | CS | sing | 1.51Å | 1.55Å | |
| CL | CN | sing | 1.57Å | 1.54Å | |
| CS | N03 | sing | 1.34Å | 1.33Å | Aromatic |
| CS | CP | doub | 1.35Å | 1.34Å | Aromatic |
| N03 | N02 | sing | 1.29Å | 1.29Å | Aromatic |
| CN | CI | sing | 1.55Å | 1.51Å | |
| OT | CI | sing | 1.45Å | 1.36Å | |
| OT | CH | sing | 1.35Å | 1.50Å | |
| CP | CI | sing | 1.50Å | 1.48Å | |
| CP | N01 | sing | 1.33Å | 1.35Å | Aromatic |
| N02 | N01 | doub | 1.29Å | 1.32Å | Aromatic |
| OH | CH | doub | 1.21Å | 1.21Å | |
| N03 | H1 | sing | 0.97Å | 1.00Å | |
| CI | H3 | sing | 1.09Å | 1.10Å | |
| CK | H4 | sing | 1.09Å | 1.10Å | |
| CK | H5 | sing | 1.09Å | 1.10Å | |
| CV | H6 | sing | 1.09Å | 1.10Å | |
| CV | H7 | sing | 1.09Å | 1.10Å | |
| CM | H8 | sing | 1.09Å | 1.10Å | |
| CM | H9 | sing | 1.09Å | 1.10Å | |
| CL | H10 | sing | 1.09Å | 1.10Å | |
| CL | H11 | sing | 1.09Å | 1.10Å | |
| CN | H12 | sing | 1.09Å | 1.10Å | |
| CN | H13 | sing | 1.09Å | 1.10Å | |
| CH | OXT | sing | 1.34Å | 1.31Å | |
| OXT | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM | CV | CK | 114.3° | 119.9° |
| CV | CM | CL | 114.4° | 109.9° |
| CM | CV | H6 | 108.2° | 107.4° |
| CM | CV | H7 | 108.3° | 107.4° |
| CV | CM | H8 | 108.2° | 109.4° |
| CV | CM | H9 | 108.2° | 109.4° |
| CV | CK | CS | 104.1° | 110.0° |
| CV | CK | H4 | 110.8° | 109.3° |
| CV | CK | H5 | 110.8° | 109.3° |
| CK | CV | H6 | 108.3° | 107.3° |
| CK | CV | H7 | 108.2° | 107.3° |
| CM | CL | CN | 110.9° | 107.0° |
| CL | CM | H8 | 108.2° | 109.4° |
| CL | CM | H9 | 108.2° | 109.4° |
| CM | CL | H10 | 109.1° | 110.0° |
| CM | CL | H11 | 109.1° | 110.0° |
| CK | CS | N03 | 131.0° | 131.1° |
| CK | CS | CP | 125.4° | 121.7° |
| CS | CK | H4 | 110.8° | 109.4° |
| CS | CK | H5 | 110.8° | 109.4° |
| CL | CN | CI | 117.1° | 107.6° |
| CN | CL | H10 | 109.1° | 110.0° |
| CN | CL | H11 | 109.1° | 109.9° |
| CL | CN | H12 | 107.5° | 109.9° |
| CL | CN | H13 | 107.5° | 109.8° |
| N03 | CS | CP | 103.5° | 107.2° |
| CS | N03 | N02 | 110.9° | 107.6° |
| CS | N03 | H1 | 124.6° | 126.1° |
| CS | CP | CI | 121.5° | 123.5° |
| CS | CP | N01 | 111.0° | 106.4° |
| N03 | N02 | N01 | 110.4° | 110.3° |
| N02 | N03 | H1 | 124.5° | 126.3° |
| CN | CI | OT | 98.0° | 109.8° |
| CN | CI | CP | 107.7° | 109.2° |
| CN | CI | H3 | 108.0° | 109.5° |
| CI | CN | H12 | 107.5° | 109.7° |
| CI | CN | H13 | 107.5° | 109.9° |
| CI | OT | CH | 118.5° | 117.0° |
| OT | CI | CP | 123.4° | 109.4° |
| OT | CI | H3 | 110.1° | 109.4° |
| OT | CH | OH | 119.5° | 120.0° |
| OT | CH | OXT | 126.9° | 120.0° |
| CI | CP | N01 | 127.4° | 130.2° |
| CP | CI | H3 | 108.3° | 109.4° |
| CP | N01 | N02 | 103.6° | 108.5° |
| OH | CH | OXT | 113.2° | 120.0° |
| H4 | CK | H5 | 109.5° | 109.4° |
| H6 | CV | H7 | 109.5° | 106.9° |
| H8 | CM | H9 | 109.5° | 109.3° |
| H10 | CL | H11 | 109.5° | 110.0° |
| H12 | CN | H13 | 109.5° | 109.9° |
| CH | OXT | H2 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM | CV | CK | H6 | 120.7° | 122.7° |
| CM | CV | CK | H7 | 120.7° | 122.7° |
| CV | CM | CL | H8 | 120.7° | 120.1° |
| CV | CM | CL | H9 | 120.7° | 120.2° |
| CM | CV | CK | CS | 68.4° | 74.4° |
| CV | CM | CL | CN | 98.7° | 112.3° |
| CM | CV | CK | H4 | 172.4° | 165.5° |
| CM | CV | CK | H5 | 50.7° | 45.8° |
| CM | CV | H6 | H7 | 117.8° | 115.0° |
| CV | CM | H8 | H9 | 117.8° | 119.8° |
| CV | CM | CL | H10 | 21.6° | 7.1° |
| CV | CM | CL | H11 | 141.1° | 128.4° |
| CK | CV | CM | CL | 31.6° | 83.1° |
| CV | CK | CS | H4 | 119.1° | 120.1° |
| CV | CK | CS | H5 | 119.1° | 120.1° |
| CV | CK | CS | N03 | 77.5° | 105.4° |
| CV | CK | CS | CP | 105.3° | 74.2° |
| CV | CK | H4 | H5 | 122.5° | 119.7° |
| CK | CV | H6 | H7 | 117.8° | 114.9° |
| CK | CV | CM | H8 | 152.4° | 156.8° |
| CK | CV | CM | H9 | 89.1° | 37.1° |
| CM | CL | CN | H10 | 120.2° | 119.4° |
| CM | CL | CN | H11 | 120.2° | 119.4° |
| CM | CL | CN | CI | 90.2° | 53.6° |
| CL | CM | CV | H6 | 152.4° | 39.6° |
| CL | CM | CV | H7 | 89.1° | 154.3° |
| CL | CM | H8 | H9 | 117.7° | 119.8° |
| CM | CL | H10 | H11 | 119.3° | 121.2° |
| CM | CL | CN | H12 | 148.7° | 65.8° |
| CM | CL | CN | H13 | 30.9° | 173.2° |
| CK | CS | N03 | CP | 177.7° | 179.6° |
| CK | CS | N03 | N02 | 177.6° | 178.5° |
| CK | CS | CP | CI | 4.3° | 1.5° |
| CK | CS | CP | N01 | 173.4° | 178.5° |
| CK | CS | N03 | H1 | 2.4° | 1.2° |
| CS | CK | H4 | H5 | 122.5° | 119.8° |
| CS | CK | CV | H6 | 52.3° | 48.3° |
| CS | CK | CV | H7 | 170.9° | 162.9° |
| CL | CN | CI | H12 | 121.1° | 119.5° |
| CL | CN | CI | H13 | 121.1° | 119.6° |
| CL | CN | CI | OT | 44.8° | 175.7° |
| CL | CN | CI | CP | 84.2° | 55.7° |
| CL | CN | CI | H3 | 159.0° | 64.1° |
| CN | CL | CM | H8 | 140.6° | 127.7° |
| CN | CL | CM | H9 | 22.1° | 7.9° |
| CN | CL | H10 | H11 | 119.3° | 121.2° |
| CL | CN | H12 | H13 | 116.5° | 121.0° |
| CS | N03 | N02 | H1 | 180.0° | 179.7° |
| N03 | CS | CP | CI | 177.8° | 178.9° |
| N03 | CS | CP | N01 | 4.5° | 1.2° |
| CS | N03 | N02 | N01 | 4.5° | 0.6° |
| N03 | CS | CK | H4 | 41.7° | 14.8° |
| N03 | CS | CK | H5 | 163.4° | 134.6° |
| CP | CS | N03 | N02 | 0.1° | 1.1° |
| CS | CP | CI | CN | 74.1° | 103.4° |
| CS | CP | CI | OT | 38.6° | 136.4° |
| CS | CP | CI | N01 | 177.3° | 179.9° |
| CS | CP | N01 | N02 | 7.0° | 0.8° |
| CP | CS | N03 | H1 | 179.9° | 179.2° |
| CS | CP | CI | H3 | 169.3° | 16.5° |
| CP | CS | CK | H4 | 135.6° | 165.7° |
| CP | CS | CK | H5 | 13.8° | 45.9° |
| N03 | N02 | N01 | CP | 6.8° | 0.1° |
| CN | CI | OT | CP | 117.4° | 119.9° |
| CN | CI | OT | H3 | 112.6° | 120.3° |
| CN | CI | OT | CH | 102.9° | 150.3° |
| CN | CI | CP | H3 | 116.6° | 119.8° |
| CN | CI | CP | N01 | 108.7° | 76.6° |
| CI | CN | CL | H10 | 30.1° | 65.8° |
| CI | CN | CL | H11 | 149.6° | 173.0° |
| CI | CN | H12 | H13 | 116.5° | 121.0° |
| OT | CI | CP | H3 | 130.7° | 119.9° |
| OT | CI | CP | N01 | 138.7° | 43.7° |
| CI | OT | CH | OH | 110.2° | 0.0° |
| OT | CI | CN | H12 | 76.3° | 64.9° |
| OT | CI | CN | H13 | 165.8° | 56.1° |
| CI | OT | CH | OXT | 61.5° | 180.0° |
| CH | OT | CI | CP | 139.7° | 89.9° |
| OT | CH | OH | OXT | 172.8° | 180.0° |
| CH | OT | CI | H3 | 9.7° | 30.0° |
| OT | CH | OXT | H2 | 172.2° | 180.0° |
| CI | CP | N01 | N02 | 175.5° | 179.2° |
| CP | CI | CN | H12 | 154.7° | 175.1° |
| CP | CI | CN | H13 | 36.9° | 63.9° |
| N01 | CP | CI | H3 | 8.0° | 163.6° |
| N01 | N02 | N03 | H1 | 175.5° | 179.7° |
| OH | CH | OXT | H2 | 0.0° | 0.0° |
| H3 | CI | CN | H12 | 37.9° | 55.4° |
| H3 | CI | CN | H13 | 79.9° | 176.3° |
| H4 | CK | CV | H6 | 66.8° | 71.8° |
| H4 | CK | CV | H7 | 51.7° | 42.8° |
| H5 | CK | CV | H6 | 171.4° | 168.4° |
| H5 | CK | CV | H7 | 70.0° | 76.9° |
| H6 | CV | CM | H8 | 86.9° | 80.6° |
| H6 | CV | CM | H9 | 31.6° | 159.7° |
| H7 | CV | CM | H8 | 31.7° | 34.1° |
| H7 | CV | CM | H9 | 150.2° | 85.6° |
| H8 | CM | CL | H10 | 99.2° | 113.0° |
| H8 | CM | CL | H11 | 20.4° | 8.3° |
| H9 | CM | CL | H10 | 142.3° | 127.3° |
| H9 | CM | CL | H11 | 98.2° | 111.5° |
| H10 | CL | CN | H12 | 91.0° | 174.9° |
| H10 | CL | CN | H13 | 151.1° | 53.8° |
| H11 | CL | CN | H12 | 28.5° | 53.6° |
| H11 | CL | CN | H13 | 89.3° | 67.4° |
