L2R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAZ | NAY | doub | 1.31Å | 1.34Å | Aromatic |
| CAZ | NBB | sing | 1.35Å | 1.33Å | Aromatic |
| NAY | CAX | sing | 1.34Å | 1.33Å | Aromatic |
| CBE | NBC | doub | 1.30Å | 1.33Å | Aromatic |
| CBE | NBF | sing | 1.35Å | 1.33Å | Aromatic |
| NBC | CAV | sing | 1.34Å | 1.32Å | Aromatic |
| NBB | CBA | sing | 1.37Å | 1.33Å | Aromatic |
| CAX | CBA | doub | 1.35Å | 1.35Å | Aromatic |
| CAX | CAW | sing | 1.51Å | 1.55Å | |
| CAW | N | sing | 1.47Å | 1.49Å | |
| NBF | CBD | sing | 1.37Å | 1.34Å | Aromatic |
| CAV | CAU | sing | 1.51Å | 1.55Å | |
| CAV | CBD | doub | 1.35Å | 1.33Å | Aromatic |
| CAU | N | sing | 1.47Å | 1.48Å | |
| N | CA | sing | 1.47Å | 1.50Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.58Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CB | CAN | sing | 1.53Å | 1.53Å | |
| CAN | CAM | sing | 1.53Å | 1.53Å | |
| SAL | CAJ | doub | 1.71Å | 1.76Å | |
| CAM | NAK | sing | 1.46Å | 1.49Å | |
| CAJ | NAK | sing | 1.35Å | 1.34Å | |
| CAJ | NAI | sing | 1.35Å | 1.33Å | |
| NAK | CAG | sing | 1.38Å | 1.35Å | |
| CAE | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| NAI | NAH | sing | 1.40Å | 1.35Å | |
| CAG | CAF | sing | 1.48Å | 1.35Å | |
| CAG | NAH | doub | 1.30Å | 1.33Å | |
| CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAB | doub | 1.40Å | 1.41Å | Aromatic |
| CAC | CAA | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAA | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| NAI | H6 | sing | 0.97Å | 1.00Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CB | H11 | sing | 1.09Å | 1.10Å | |
| CB | H12 | sing | 1.09Å | 1.10Å | |
| CA | H13 | sing | 1.09Å | 1.10Å | |
| OXT | H14 | sing | 0.97Å | 0.95Å | |
| CAW | H16 | sing | 1.09Å | 1.10Å | |
| CAW | H17 | sing | 1.09Å | 1.10Å | |
| CBA | H18 | sing | 1.08Å | 1.08Å | |
| NBB | H19 | sing | 0.97Å | 1.00Å | |
| CAZ | H20 | sing | 1.08Å | 1.08Å | |
| CAU | H22 | sing | 1.09Å | 1.10Å | |
| CAU | H23 | sing | 1.09Å | 1.10Å | |
| CBD | H24 | sing | 1.08Å | 1.08Å | |
| NBF | H25 | sing | 0.97Å | 1.00Å | |
| CBE | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAY | CAZ | NBB | 109.5° | 108.7° |
| CAZ | NAY | CAX | 106.6° | 109.2° |
| NAY | CAZ | H20 | 125.2° | 125.6° |
| CAZ | NBB | CBA | 107.6° | 107.2° |
| CAZ | NBB | H19 | 126.2° | 126.4° |
| NBB | CAZ | H20 | 125.3° | 125.7° |
| NAY | CAX | CBA | 108.9° | 108.0° |
| NAY | CAX | CAW | 124.6° | 126.0° |
| NBC | CBE | NBF | 107.5° | 108.7° |
| CBE | NBC | CAV | 108.0° | 109.3° |
| NBC | CBE | H26 | 126.2° | 125.6° |
| CBE | NBF | CBD | 108.4° | 107.2° |
| CBE | NBF | H25 | 125.8° | 126.4° |
| NBF | CBE | H26 | 126.2° | 125.7° |
| NBC | CAV | CAU | 124.4° | 126.0° |
| NBC | CAV | CBD | 109.4° | 108.0° |
| NBB | CBA | CAX | 107.4° | 106.8° |
| NBB | CBA | H18 | 126.3° | 126.6° |
| CBA | NBB | H19 | 126.2° | 126.4° |
| CBA | CAX | CAW | 126.5° | 126.0° |
| CAX | CBA | H18 | 126.3° | 126.5° |
| CAX | CAW | N | 112.5° | 109.5° |
| CAX | CAW | H16 | 108.7° | 109.5° |
| CAX | CAW | H17 | 108.7° | 109.5° |
| CAW | N | CAU | 114.0° | 111.0° |
| CAW | N | CA | 115.4° | 111.0° |
| N | CAW | H16 | 108.7° | 109.5° |
| N | CAW | H17 | 108.7° | 109.5° |
| NBF | CBD | CAV | 106.6° | 106.8° |
| NBF | CBD | H24 | 126.7° | 126.6° |
| CBD | NBF | H25 | 125.8° | 126.4° |
| CAU | CAV | CBD | 126.1° | 126.0° |
| CAV | CAU | N | 110.8° | 109.5° |
| CAV | CAU | H22 | 109.1° | 109.5° |
| CAV | CAU | H23 | 109.1° | 109.5° |
| CAV | CBD | H24 | 126.7° | 126.6° |
| CAU | N | CA | 112.9° | 111.0° |
| N | CAU | H22 | 109.2° | 109.5° |
| N | CAU | H23 | 109.2° | 109.4° |
| N | CA | C | 114.2° | 109.4° |
| N | CA | CB | 110.3° | 109.5° |
| N | CA | H13 | 106.8° | 109.4° |
| O | C | OXT | 122.8° | 120.0° |
| O | C | CA | 120.8° | 120.0° |
| OXT | C | CA | 116.4° | 120.0° |
| C | OXT | H14 | 109.5° | 117.0° |
| C | CA | CB | 112.9° | 109.5° |
| C | CA | H13 | 105.8° | 109.5° |
| CA | CB | CAN | 109.5° | 109.5° |
| CA | CB | H11 | 109.5° | 109.4° |
| CA | CB | H12 | 109.4° | 109.5° |
| CB | CA | H13 | 106.1° | 109.5° |
| CB | CAN | CAM | 109.9° | 109.5° |
| CB | CAN | H9 | 109.4° | 109.5° |
| CB | CAN | H10 | 109.4° | 109.5° |
| CAN | CB | H11 | 109.4° | 109.5° |
| CAN | CB | H12 | 109.5° | 109.5° |
| CAN | CAM | NAK | 107.2° | 109.5° |
| CAN | CAM | H7 | 110.0° | 109.5° |
| CAN | CAM | H8 | 110.0° | 109.5° |
| CAM | CAN | H9 | 109.4° | 109.5° |
| CAM | CAN | H10 | 109.4° | 109.4° |
| SAL | CAJ | NAK | 126.5° | 126.2° |
| SAL | CAJ | NAI | 123.2° | 126.2° |
| CAM | NAK | CAJ | 120.7° | 125.8° |
| CAM | NAK | CAG | 133.8° | 125.9° |
| NAK | CAM | H7 | 110.0° | 109.4° |
| NAK | CAM | H8 | 110.0° | 109.5° |
| NAK | CAJ | NAI | 110.3° | 107.6° |
| CAJ | NAK | CAG | 105.4° | 108.3° |
| CAJ | NAI | NAH | 107.4° | 107.6° |
| CAJ | NAI | H6 | 126.3° | 126.2° |
| NAK | CAG | CAF | 127.9° | 125.8° |
| NAK | CAG | NAH | 109.7° | 108.6° |
| CAD | CAE | CAF | 121.0° | 119.9° |
| CAE | CAD | CAC | 118.9° | 120.1° |
| CAE | CAD | H4 | 120.5° | 120.0° |
| CAD | CAE | H5 | 119.5° | 120.0° |
| CAE | CAF | CAG | 121.3° | 120.2° |
| CAE | CAF | CAB | 119.5° | 119.7° |
| CAF | CAE | H5 | 119.5° | 120.1° |
| NAI | NAH | CAG | 107.2° | 108.0° |
| NAH | NAI | H6 | 126.3° | 126.2° |
| CAF | CAG | NAH | 122.4° | 125.7° |
| CAG | CAF | CAB | 119.2° | 120.1° |
| CAD | CAC | CAA | 120.8° | 120.3° |
| CAD | CAC | H3 | 119.6° | 119.8° |
| CAC | CAD | H4 | 120.6° | 119.9° |
| CAF | CAB | CAA | 120.1° | 119.9° |
| CAF | CAB | H1 | 119.9° | 120.1° |
| CAC | CAA | CAB | 119.7° | 120.2° |
| CAC | CAA | H2 | 120.1° | 119.9° |
| CAA | CAC | H3 | 119.6° | 119.9° |
| CAA | CAB | H1 | 119.9° | 120.1° |
| CAB | CAA | H2 | 120.2° | 120.0° |
| H7 | CAM | H8 | 109.4° | 109.4° |
| H9 | CAN | H10 | 109.5° | 109.4° |
| H11 | CB | H12 | 109.4° | 109.5° |
| H16 | CAW | H17 | 109.5° | 109.5° |
| H22 | CAU | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAY | CAZ | NBB | H20 | 180.0° | 179.7° |
| NAY | CAZ | NBB | CBA | 0.4° | 0.2° |
| CAZ | NAY | CAX | CBA | 0.5° | 0.3° |
| CAZ | NAY | CAX | CAW | 179.6° | 179.9° |
| NAY | CAZ | NBB | H19 | 179.6° | 179.8° |
| NBB | CAZ | NAY | CAX | 0.6° | 0.3° |
| CAZ | NBB | CBA | H19 | 180.0° | 180.0° |
| CAZ | NBB | CBA | CAX | 0.1° | 0.0° |
| CAZ | NBB | CBA | H18 | 179.9° | 180.0° |
| NAY | CAX | CBA | NBB | 0.3° | 0.2° |
| NAY | CAX | CBA | CAW | 179.8° | 179.8° |
| NAY | CAX | CAW | N | 73.3° | 84.9° |
| NAY | CAX | CAW | H16 | 166.2° | 155.2° |
| NAY | CAX | CAW | H17 | 47.2° | 35.1° |
| NAY | CAX | CBA | H18 | 179.7° | 179.8° |
| CAX | NAY | CAZ | H20 | 179.4° | 180.0° |
| NBC | CBE | NBF | H26 | 180.0° | 179.7° |
| NBC | CBE | NBF | CBD | 1.2° | 0.2° |
| CBE | NBC | CAV | CAU | 179.8° | 179.9° |
| CBE | NBC | CAV | CBD | 1.4° | 0.4° |
| NBC | CBE | NBF | H25 | 178.7° | 179.8° |
| NBF | CBE | NBC | CAV | 1.6° | 0.4° |
| CBE | NBF | CBD | H25 | 180.0° | 180.0° |
| CBE | NBF | CBD | CAV | 0.4° | 0.0° |
| CBE | NBF | CBD | H24 | 179.6° | 179.9° |
| NBC | CAV | CBD | NBF | 0.7° | 0.2° |
| NBC | CAV | CAU | CBD | 178.0° | 179.7° |
| NBC | CAV | CAU | N | 65.1° | 83.9° |
| NBC | CAV | CAU | H22 | 174.7° | 156.1° |
| NBC | CAV | CAU | H23 | 55.1° | 36.0° |
| NBC | CAV | CBD | H24 | 179.4° | 179.7° |
| CAV | NBC | CBE | H26 | 178.4° | 179.9° |
| NBB | CBA | CAX | H18 | 180.0° | 180.0° |
| NBB | CBA | CAX | CAW | 179.9° | 180.0° |
| CBA | NBB | CAZ | H20 | 179.5° | 179.9° |
| CBA | CAX | CAW | N | 106.9° | 95.4° |
| CBA | CAX | CAW | H16 | 13.6° | 24.6° |
| CBA | CAX | CAW | H17 | 132.7° | 144.6° |
| CAX | CBA | NBB | H19 | 179.9° | 180.0° |
| CAX | CAW | N | H16 | 120.5° | 120.0° |
| CAX | CAW | N | H17 | 120.4° | 120.0° |
| CAX | CAW | N | CAU | 106.3° | 164.3° |
| CAX | CAW | N | CA | 120.6° | 71.8° |
| CAX | CAW | H16 | H17 | 118.6° | 120.0° |
| CAW | CAX | CBA | H18 | 0.1° | 0.0° |
| CAW | N | CAU | CAV | 69.5° | 72.9° |
| CAW | N | CAU | CA | 134.3° | 124.0° |
| CAW | N | CA | C | 39.5° | 65.9° |
| CAW | N | CA | CB | 88.9° | 174.1° |
| CAW | N | CA | H13 | 156.2° | 54.0° |
| N | CAW | H16 | H17 | 118.6° | 120.0° |
| CAW | N | CAU | H22 | 170.4° | 47.1° |
| CAW | N | CAU | H23 | 50.7° | 167.1° |
| NBF | CBD | CAV | CAU | 179.0° | 179.9° |
| NBF | CBD | CAV | H24 | 180.0° | 179.9° |
| CBD | NBF | CBE | H26 | 178.8° | 180.0° |
| CAV | CAU | N | H22 | 120.2° | 120.0° |
| CAV | CAU | N | H23 | 120.2° | 120.0° |
| CAV | CAU | N | CA | 64.9° | 163.1° |
| CAV | CAU | H22 | H23 | 119.4° | 120.0° |
| CAU | CAV | CBD | H24 | 1.1° | 0.0° |
| CBD | CAV | CAU | N | 112.9° | 96.4° |
| CBD | CAV | CAU | H22 | 7.3° | 23.6° |
| CBD | CAV | CAU | H23 | 126.9° | 143.6° |
| CAV | CBD | NBF | H25 | 179.6° | 180.0° |
| CAU | N | CA | C | 94.1° | 58.1° |
| CAU | N | CA | CB | 137.4° | 62.0° |
| CAU | N | CA | H13 | 22.5° | 178.0° |
| CAU | N | CAW | H16 | 133.3° | 75.7° |
| CAU | N | CAW | H17 | 14.2° | 44.3° |
| N | CAU | H22 | H23 | 119.4° | 120.0° |
| N | CA | C | O | 84.9° | 0.1° |
| N | CA | C | OXT | 97.5° | 180.0° |
| N | CA | C | CB | 127.1° | 120.0° |
| N | CA | C | H13 | 117.2° | 119.9° |
| N | CA | CB | H13 | 115.3° | 120.0° |
| N | CA | CB | CAN | 154.1° | 66.1° |
| N | CA | CB | H11 | 34.1° | 173.9° |
| N | CA | CB | H12 | 85.9° | 53.8° |
| CA | N | CAW | H16 | 0.1° | 48.2° |
| CA | N | CAW | H17 | 119.0° | 168.2° |
| CA | N | CAU | H22 | 55.3° | 76.8° |
| CA | N | CAU | H23 | 174.9° | 43.1° |
| O | C | OXT | CA | 177.6° | 179.9° |
| O | C | CA | CB | 42.3° | 119.9° |
| O | C | CA | H13 | 157.9° | 120.0° |
| O | C | OXT | H14 | 0.0° | 0.1° |
| OXT | C | CA | CB | 135.4° | 60.0° |
| OXT | C | CA | H13 | 19.7° | 60.1° |
| C | CA | CB | H13 | 115.5° | 120.0° |
| C | CA | CB | CAN | 76.8° | 173.9° |
| C | CA | CB | H11 | 163.2° | 53.9° |
| C | CA | CB | H12 | 43.3° | 66.2° |
| CA | C | OXT | H14 | 177.6° | 180.0° |
| CA | CB | CAN | H11 | 120.0° | 120.0° |
| CA | CB | CAN | H12 | 120.0° | 120.0° |
| CA | CB | CAN | CAM | 169.3° | 176.1° |
| CA | CB | CAN | H9 | 49.2° | 56.0° |
| CA | CB | CAN | H10 | 70.7° | 63.9° |
| CA | CB | H11 | H12 | 120.0° | 120.0° |
| CB | CAN | CAM | H9 | 120.1° | 120.1° |
| CB | CAN | CAM | H10 | 120.0° | 120.0° |
| CB | CAN | CAM | NAK | 145.8° | 179.2° |
| CB | CAN | CAM | H7 | 94.5° | 59.2° |
| CB | CAN | CAM | H8 | 26.2° | 60.7° |
| CB | CAN | H9 | H10 | 119.8° | 120.0° |
| CAN | CB | H11 | H12 | 120.0° | 120.0° |
| CAN | CB | CA | H13 | 38.8° | 53.8° |
| CAN | CAM | NAK | H7 | 119.7° | 120.0° |
| CAN | CAM | NAK | H8 | 119.7° | 120.0° |
| CAN | CAM | NAK | CAJ | 98.7° | 85.4° |
| CAN | CAM | NAK | CAG | 77.4° | 95.1° |
| CAN | CAM | H7 | H8 | 121.0° | 120.0° |
| CAM | CAN | H9 | H10 | 119.9° | 119.9° |
| CAM | CAN | CB | H11 | 70.7° | 63.9° |
| CAM | CAN | CB | H12 | 49.3° | 56.1° |
| SAL | CAJ | NAK | CAM | 0.9° | 0.4° |
| SAL | CAJ | NAK | NAI | 179.7° | 179.6° |
| SAL | CAJ | NAK | CAG | 178.0° | 180.0° |
| SAL | CAJ | NAI | NAH | 178.2° | 179.9° |
| SAL | CAJ | NAI | H6 | 1.8° | 0.2° |
| CAM | NAK | CAJ | CAG | 177.1° | 179.6° |
| CAM | NAK | CAJ | NAI | 179.4° | 180.0° |
| CAM | NAK | CAG | CAF | 3.8° | 0.3° |
| CAM | NAK | CAG | NAH | 178.2° | 180.0° |
| NAK | CAM | H7 | H8 | 121.0° | 120.0° |
| NAK | CAM | CAN | H9 | 25.8° | 60.7° |
| NAK | CAM | CAN | H10 | 94.1° | 59.2° |
| NAK | CAJ | NAI | NAH | 2.1° | 0.3° |
| CAJ | NAK | CAG | CAF | 179.7° | 179.8° |
| CAJ | NAK | CAG | NAH | 1.7° | 0.4° |
| NAK | CAJ | NAI | H6 | 177.9° | 179.7° |
| CAJ | NAK | CAM | H7 | 141.7° | 154.6° |
| CAJ | NAK | CAM | H8 | 21.0° | 34.7° |
| NAI | CAJ | NAK | CAG | 2.3° | 0.4° |
| CAJ | NAI | NAH | H6 | 180.0° | 180.0° |
| CAJ | NAI | NAH | CAG | 1.0° | 0.0° |
| NAK | CAG | CAF | CAE | 47.3° | 159.1° |
| NAK | CAG | NAH | NAI | 0.5° | 0.3° |
| NAK | CAG | CAF | NAH | 177.8° | 179.7° |
| NAK | CAG | CAF | CAB | 132.9° | 20.3° |
| CAG | NAK | CAM | H7 | 42.2° | 24.9° |
| CAG | NAK | CAM | H8 | 162.9° | 144.8° |
| CAD | CAE | CAF | H5 | 180.0° | 179.6° |
| CAD | CAE | CAF | CAG | 179.4° | 180.0° |
| CAE | CAD | CAC | H4 | 180.0° | 179.9° |
| CAD | CAE | CAF | CAB | 0.8° | 0.6° |
| CAE | CAD | CAC | CAA | 0.6° | 0.1° |
| CAE | CAD | CAC | H3 | 179.4° | 179.9° |
| CAE | CAF | CAG | CAB | 179.8° | 179.4° |
| CAE | CAF | CAG | NAH | 134.9° | 21.2° |
| CAF | CAE | CAD | CAC | 0.7° | 0.4° |
| CAE | CAF | CAB | CAA | 0.9° | 0.5° |
| CAE | CAF | CAB | H1 | 179.1° | 179.7° |
| CAF | CAE | CAD | H4 | 179.3° | 179.7° |
| NAI | NAH | CAG | CAF | 178.6° | 180.0° |
| CAG | CAF | CAB | CAA | 179.3° | 179.9° |
| CAG | CAF | CAB | H1 | 0.7° | 0.2° |
| CAG | CAF | CAE | H5 | 0.6° | 0.3° |
| NAH | CAG | CAF | CAB | 44.9° | 159.4° |
| CAG | NAH | NAI | H6 | 179.0° | 180.0° |
| CAD | CAC | CAA | H3 | 180.0° | 180.0° |
| CAD | CAC | CAA | CAB | 0.7° | 0.0° |
| CAD | CAC | CAA | H2 | 179.3° | 180.0° |
| CAC | CAD | CAE | H5 | 179.3° | 180.0° |
| CAF | CAB | CAA | CAC | 0.9° | 0.2° |
| CAF | CAB | CAA | H1 | 180.0° | 179.8° |
| CAF | CAB | CAA | H2 | 179.1° | 179.8° |
| CAB | CAF | CAE | H5 | 179.2° | 179.8° |
| CAC | CAA | CAB | H2 | 180.0° | 180.0° |
| CAC | CAA | CAB | H1 | 179.2° | 180.0° |
| CAA | CAC | CAD | H4 | 179.4° | 180.0° |
| CAB | CAA | CAC | H3 | 179.3° | 180.0° |
| H1 | CAB | CAA | H2 | 0.9° | 0.1° |
| H2 | CAA | CAC | H3 | 0.7° | 0.0° |
| H3 | CAC | CAD | H4 | 0.6° | 0.0° |
| H4 | CAD | CAE | H5 | 0.6° | 0.1° |
| H7 | CAM | CAN | H9 | 145.5° | 179.3° |
| H7 | CAM | CAN | H10 | 25.6° | 60.8° |
| H8 | CAM | CAN | H9 | 93.9° | 59.3° |
| H8 | CAM | CAN | H10 | 146.2° | 179.3° |
| H9 | CAN | CB | H11 | 169.2° | 176.0° |
| H9 | CAN | CB | H12 | 70.8° | 63.9° |
| H10 | CAN | CB | H11 | 49.4° | 56.1° |
| H10 | CAN | CB | H12 | 169.3° | 176.1° |
| H11 | CB | CA | H13 | 81.2° | 66.2° |
| H12 | CB | CA | H13 | 158.8° | 173.8° |
| H18 | CBA | NBB | H19 | 0.1° | 0.0° |
| H19 | NBB | CAZ | H20 | 0.5° | 0.1° |
| H24 | CBD | NBF | H25 | 0.4° | 0.0° |
| H25 | NBF | CBE | H26 | 1.2° | 0.0° |
