2EL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAW | CAX | sing | 1.53Å | 1.51Å | |
| CAW | OAV | sing | 1.43Å | 1.45Å | |
| CAX | OAY | sing | 1.43Å | 1.41Å | |
| SAH | CAI | sing | 1.81Å | 1.85Å | |
| SAH | CAG | sing | 1.81Å | 1.81Å | |
| CAU | OAV | sing | 1.43Å | 1.42Å | |
| CAU | CAI | sing | 1.53Å | 1.49Å | |
| C2 | N3 | doub | 1.32Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.40Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| CAG | CAF | sing | 1.53Å | 1.58Å | |
| CAB | CAF | sing | 1.54Å | 1.55Å | |
| CAB | CAC | sing | 1.54Å | 1.56Å | |
| CAB | OAA | sing | 1.43Å | 1.44Å | |
| N1 | C6 | doub | 1.34Å | 1.38Å | Aromatic |
| C4 | NAR | sing | 1.39Å | 1.34Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| CAF | CAE | sing | 1.54Å | 1.51Å | |
| CAC | NAD | sing | 1.49Å | 1.50Å | |
| C6 | C5 | sing | 1.41Å | 1.36Å | Aromatic |
| C6 | CAK | sing | 1.46Å | 1.35Å | Aromatic |
| C5 | NAO | sing | 1.38Å | 1.37Å | Aromatic |
| CAE | NAD | sing | 1.49Å | 1.51Å | |
| NAD | CAJ | sing | 1.47Å | 1.49Å | |
| CAK | CAJ | sing | 1.51Å | 1.54Å | |
| CAK | CAN | doub | 1.35Å | 1.35Å | Aromatic |
| NAO | CAN | sing | 1.36Å | 1.35Å | Aromatic |
| OAY | H1 | sing | 0.97Å | 0.95Å | |
| CAX | H2 | sing | 1.09Å | 1.10Å | |
| CAX | H3 | sing | 1.09Å | 1.10Å | |
| CAW | H4 | sing | 1.09Å | 1.10Å | |
| CAW | H5 | sing | 1.09Å | 1.10Å | |
| CAU | H6 | sing | 1.09Å | 1.10Å | |
| CAU | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAE | H13 | sing | 1.09Å | 1.10Å | |
| CAE | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| OAA | H16 | sing | 0.97Å | 0.95Å | |
| CAC | H17 | sing | 1.09Å | 1.10Å | |
| CAC | H18 | sing | 1.09Å | 1.10Å | |
| CAJ | H20 | sing | 1.09Å | 1.10Å | |
| CAJ | H21 | sing | 1.09Å | 1.10Å | |
| CAN | H22 | sing | 1.08Å | 1.08Å | |
| NAO | H23 | sing | 0.97Å | 1.00Å | |
| C2 | H24 | sing | 1.08Å | 1.08Å | |
| NAR | H25 | sing | 0.97Å | 1.00Å | |
| NAR | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAX | CAW | OAV | 106.8° | 109.5° |
| CAW | CAX | OAY | 104.1° | 109.5° |
| CAW | CAX | H2 | 110.8° | 109.4° |
| CAW | CAX | H3 | 110.8° | 109.5° |
| CAX | CAW | H4 | 110.1° | 109.5° |
| CAX | CAW | H5 | 110.1° | 109.4° |
| CAW | OAV | CAU | 111.3° | 114.0° |
| OAV | CAW | H4 | 110.1° | 109.5° |
| OAV | CAW | H5 | 110.1° | 109.5° |
| CAX | OAY | H1 | 109.5° | 114.1° |
| OAY | CAX | H2 | 110.8° | 109.4° |
| OAY | CAX | H3 | 110.8° | 109.5° |
| CAI | SAH | CAG | 101.1° | 103.0° |
| SAH | CAI | CAU | 109.8° | 109.5° |
| SAH | CAI | H8 | 109.4° | 109.5° |
| SAH | CAI | H9 | 109.4° | 109.5° |
| SAH | CAG | CAF | 109.7° | 109.4° |
| SAH | CAG | H10 | 109.4° | 109.5° |
| SAH | CAG | H11 | 109.4° | 109.4° |
| OAV | CAU | CAI | 103.3° | 109.5° |
| OAV | CAU | H6 | 111.0° | 109.5° |
| OAV | CAU | H7 | 111.0° | 109.5° |
| CAI | CAU | H6 | 111.0° | 109.5° |
| CAI | CAU | H7 | 111.0° | 109.5° |
| CAU | CAI | H8 | 109.4° | 109.5° |
| CAU | CAI | H9 | 109.4° | 109.5° |
| N3 | C2 | N1 | 122.1° | 122.4° |
| C2 | N3 | C4 | 120.7° | 121.3° |
| N3 | C2 | H24 | 119.0° | 118.8° |
| C2 | N1 | C6 | 114.8° | 120.4° |
| N1 | C2 | H24 | 119.0° | 118.8° |
| N3 | C4 | NAR | 119.8° | 120.7° |
| N3 | C4 | C5 | 119.3° | 118.6° |
| CAG | CAF | CAB | 115.8° | 110.3° |
| CAG | CAF | CAE | 108.9° | 110.3° |
| CAF | CAG | H10 | 109.4° | 109.5° |
| CAF | CAG | H11 | 109.4° | 109.4° |
| CAG | CAF | H12 | 108.9° | 110.4° |
| CAF | CAB | CAC | 102.7° | 105.1° |
| CAF | CAB | OAA | 114.4° | 110.3° |
| CAB | CAF | CAE | 104.0° | 105.0° |
| CAB | CAF | H12 | 109.3° | 110.4° |
| CAF | CAB | H15 | 109.7° | 110.3° |
| CAC | CAB | OAA | 109.0° | 110.3° |
| CAB | CAC | NAD | 98.7° | 104.6° |
| CAC | CAB | H15 | 109.4° | 110.3° |
| CAB | CAC | H17 | 112.1° | 110.4° |
| CAB | CAC | H18 | 112.1° | 110.4° |
| OAA | CAB | H15 | 111.1° | 110.4° |
| CAB | OAA | H16 | 109.5° | 114.0° |
| N1 | C6 | C5 | 123.1° | 119.1° |
| N1 | C6 | CAK | 129.2° | 134.9° |
| NAR | C4 | C5 | 120.8° | 120.7° |
| C4 | NAR | H25 | 109.5° | 120.0° |
| C4 | NAR | H26 | 109.5° | 120.1° |
| C4 | C5 | C6 | 119.9° | 118.1° |
| C4 | C5 | NAO | 132.5° | 134.6° |
| CAF | CAE | NAD | 105.7° | 104.7° |
| CAE | CAF | H12 | 109.8° | 110.3° |
| CAF | CAE | H13 | 110.4° | 110.4° |
| CAF | CAE | H14 | 110.4° | 110.4° |
| CAC | NAD | CAE | 109.3° | 104.2° |
| CAC | NAD | CAJ | 118.4° | 111.0° |
| NAD | CAC | H17 | 112.1° | 110.4° |
| NAD | CAC | H18 | 112.1° | 110.4° |
| C5 | C6 | CAK | 107.7° | 106.0° |
| C6 | C5 | NAO | 107.7° | 107.3° |
| C6 | CAK | CAJ | 125.7° | 126.5° |
| C6 | CAK | CAN | 108.5° | 107.1° |
| C5 | NAO | CAN | 107.9° | 109.8° |
| C5 | NAO | H23 | 126.1° | 125.1° |
| CAE | NAD | CAJ | 114.4° | 111.0° |
| NAD | CAE | H13 | 110.4° | 110.4° |
| NAD | CAE | H14 | 110.4° | 110.4° |
| NAD | CAJ | CAK | 118.7° | 109.4° |
| NAD | CAJ | H20 | 107.1° | 109.5° |
| NAD | CAJ | H21 | 107.1° | 109.5° |
| CAJ | CAK | CAN | 125.6° | 126.5° |
| CAK | CAJ | H20 | 107.1° | 109.4° |
| CAK | CAJ | H21 | 107.1° | 109.4° |
| CAK | CAN | NAO | 108.2° | 109.8° |
| CAK | CAN | H22 | 125.9° | 125.1° |
| NAO | CAN | H22 | 125.9° | 125.1° |
| CAN | NAO | H23 | 126.0° | 125.1° |
| H2 | CAX | H3 | 109.4° | 109.5° |
| H4 | CAW | H5 | 109.4° | 109.5° |
| H6 | CAU | H7 | 109.5° | 109.5° |
| H8 | CAI | H9 | 109.5° | 109.4° |
| H10 | CAG | H11 | 109.4° | 109.5° |
| H13 | CAE | H14 | 109.5° | 110.4° |
| H17 | CAC | H18 | 109.5° | 110.5° |
| H20 | CAJ | H21 | 109.5° | 109.5° |
| H25 | NAR | H26 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAX | CAW | OAV | H4 | 119.6° | 120.0° |
| CAX | CAW | OAV | H5 | 119.6° | 119.9° |
| CAW | CAX | OAY | H2 | 119.2° | 120.0° |
| CAW | CAX | OAY | H3 | 119.2° | 120.0° |
| CAX | CAW | OAV | CAU | 163.9° | 180.0° |
| CAW | CAX | OAY | H1 | 180.0° | 180.0° |
| CAW | CAX | H2 | H3 | 122.5° | 120.0° |
| CAX | CAW | H4 | H5 | 121.2° | 119.9° |
| OAV | CAW | CAX | OAY | 103.1° | 65.0° |
| CAW | OAV | CAU | CAI | 88.0° | 180.0° |
| OAV | CAW | CAX | H2 | 137.7° | 55.0° |
| OAV | CAW | CAX | H3 | 16.0° | 175.0° |
| OAV | CAW | H4 | H5 | 121.2° | 120.0° |
| CAW | OAV | CAU | H6 | 153.0° | 60.0° |
| CAW | OAV | CAU | H7 | 31.0° | 60.0° |
| OAY | CAX | H2 | H3 | 122.4° | 120.0° |
| OAY | CAX | CAW | H4 | 137.3° | 175.0° |
| OAY | CAX | CAW | H5 | 16.5° | 55.0° |
| SAH | CAI | CAU | OAV | 175.6° | 180.0° |
| SAH | CAI | CAU | H8 | 120.0° | 120.0° |
| SAH | CAI | CAU | H9 | 120.1° | 120.0° |
| CAI | SAH | CAG | CAF | 77.2° | 180.0° |
| SAH | CAI | CAU | H6 | 65.4° | 60.0° |
| SAH | CAI | CAU | H7 | 56.6° | 60.0° |
| SAH | CAI | H8 | H9 | 119.9° | 120.0° |
| CAI | SAH | CAG | H10 | 42.8° | 60.0° |
| CAI | SAH | CAG | H11 | 162.7° | 60.0° |
| CAG | SAH | CAI | CAU | 95.5° | 180.0° |
| SAH | CAG | CAF | H10 | 120.1° | 120.0° |
| SAH | CAG | CAF | H11 | 120.0° | 119.9° |
| SAH | CAG | CAF | CAB | 65.9° | 177.9° |
| SAH | CAG | CAF | CAE | 177.4° | 66.5° |
| CAG | SAH | CAI | H8 | 24.5° | 60.0° |
| CAG | SAH | CAI | H9 | 144.5° | 60.0° |
| SAH | CAG | H10 | H11 | 119.9° | 120.0° |
| SAH | CAG | CAF | H12 | 57.7° | 55.7° |
| OAV | CAU | CAI | H6 | 119.0° | 120.0° |
| OAV | CAU | CAI | H7 | 119.0° | 120.0° |
| CAU | OAV | CAW | H4 | 76.5° | 60.0° |
| CAU | OAV | CAW | H5 | 44.3° | 60.0° |
| OAV | CAU | H6 | H7 | 122.9° | 120.0° |
| OAV | CAU | CAI | H8 | 64.4° | 60.0° |
| OAV | CAU | CAI | H9 | 55.5° | 60.0° |
| CAI | CAU | H6 | H7 | 122.8° | 120.0° |
| CAU | CAI | H8 | H9 | 119.9° | 120.0° |
| N3 | C2 | N1 | H24 | 180.0° | 179.8° |
| N3 | C2 | N1 | C6 | 2.1° | 0.0° |
| C2 | N3 | C4 | NAR | 179.6° | 180.0° |
| C2 | N3 | C4 | C5 | 2.8° | 0.5° |
| N1 | C2 | N3 | C4 | 0.4° | 0.2° |
| C2 | N1 | C6 | C5 | 2.3° | 0.0° |
| C2 | N1 | C6 | CAK | 176.8° | 179.5° |
| N3 | C4 | NAR | C5 | 177.6° | 179.5° |
| N3 | C4 | C5 | C6 | 2.5° | 0.5° |
| N3 | C4 | C5 | NAO | 178.2° | 179.9° |
| C4 | N3 | C2 | H24 | 179.6° | 180.0° |
| N3 | C4 | NAR | H25 | 0.0° | 0.1° |
| N3 | C4 | NAR | H26 | 120.0° | 180.0° |
| CAG | CAF | CAB | CAE | 119.4° | 118.9° |
| CAG | CAF | CAB | H12 | 123.4° | 122.3° |
| CAG | CAF | CAB | CAC | 81.9° | 118.9° |
| CAG | CAF | CAB | OAA | 160.1° | 122.2° |
| CAG | CAF | CAE | H12 | 119.1° | 122.2° |
| CAG | CAF | CAE | NAD | 108.1° | 142.7° |
| CAF | CAG | H10 | H11 | 119.9° | 120.0° |
| CAG | CAF | CAE | H13 | 132.5° | 98.5° |
| CAG | CAF | CAE | H14 | 11.3° | 23.9° |
| CAG | CAF | CAB | H15 | 34.4° | 0.1° |
| CAF | CAB | CAC | OAA | 121.8° | 118.9° |
| CAF | CAB | CAC | H15 | 116.5° | 118.9° |
| CAF | CAB | OAA | H15 | 124.9° | 122.2° |
| CAB | CAF | CAE | H12 | 116.8° | 119.0° |
| CAF | CAB | CAC | NAD | 43.5° | 23.8° |
| CAB | CAF | CAE | NAD | 15.9° | 23.9° |
| CAB | CAF | CAG | H10 | 174.0° | 62.1° |
| CAB | CAF | CAG | H11 | 54.1° | 58.0° |
| CAB | CAF | CAE | H13 | 103.5° | 142.7° |
| CAB | CAF | CAE | H14 | 135.3° | 95.0° |
| CAF | CAB | OAA | H16 | 180.0° | 180.0° |
| CAF | CAB | CAC | H17 | 74.7° | 94.9° |
| CAF | CAB | CAC | H18 | 161.7° | 142.6° |
| CAC | CAB | OAA | H15 | 120.7° | 122.2° |
| CAC | CAB | CAF | CAE | 37.5° | 0.0° |
| CAB | CAC | NAD | H17 | 118.2° | 118.8° |
| CAB | CAC | NAD | H18 | 118.2° | 118.7° |
| CAB | CAC | NAD | CAE | 34.8° | 39.5° |
| CAB | CAC | NAD | CAJ | 168.3° | 159.0° |
| CAC | CAB | CAF | H12 | 154.7° | 118.9° |
| CAC | CAB | OAA | H16 | 65.6° | 64.4° |
| CAB | CAC | H17 | H18 | 125.1° | 122.4° |
| OAA | CAB | CAF | CAE | 80.5° | 118.9° |
| OAA | CAB | CAC | NAD | 78.3° | 95.0° |
| OAA | CAB | CAF | H12 | 36.7° | 0.0° |
| OAA | CAB | CAC | H17 | 163.5° | 146.2° |
| OAA | CAB | CAC | H18 | 39.9° | 23.7° |
| N1 | C6 | C5 | C4 | 0.1° | 0.2° |
| N1 | C6 | C5 | CAK | 179.3° | 179.6° |
| N1 | C6 | C5 | NAO | 179.3° | 180.0° |
| N1 | C6 | CAK | CAJ | 3.8° | 0.4° |
| N1 | C6 | CAK | CAN | 177.9° | 179.9° |
| C6 | N1 | C2 | H24 | 177.9° | 179.8° |
| NAR | C4 | C5 | C6 | 179.9° | 180.0° |
| NAR | C4 | C5 | NAO | 0.6° | 0.4° |
| C4 | NAR | H25 | H26 | 120.0° | 179.9° |
| C4 | C5 | C6 | NAO | 179.4° | 179.7° |
| C4 | C5 | C6 | CAK | 179.2° | 179.9° |
| C4 | C5 | NAO | CAN | 178.7° | 180.0° |
| C4 | C5 | NAO | H23 | 1.3° | 0.1° |
| C5 | C4 | NAR | H25 | 177.6° | 179.6° |
| C5 | C4 | NAR | H26 | 62.4° | 0.5° |
| CAF | CAE | NAD | CAC | 12.7° | 39.5° |
| CAF | CAE | NAD | H13 | 119.4° | 118.7° |
| CAF | CAE | NAD | H14 | 119.4° | 118.9° |
| CAF | CAE | NAD | CAJ | 148.2° | 159.1° |
| CAE | CAF | CAG | H10 | 57.4° | 53.5° |
| CAE | CAF | CAG | H11 | 62.6° | 173.6° |
| CAF | CAE | H13 | H14 | 121.8° | 122.4° |
| CAE | CAF | CAB | H15 | 153.8° | 118.9° |
| CAC | NAD | CAE | CAJ | 135.5° | 119.6° |
| CAC | NAD | CAJ | CAK | 75.4° | 74.6° |
| CAC | NAD | CAE | H13 | 132.0° | 158.2° |
| CAC | NAD | CAE | H14 | 106.7° | 79.4° |
| NAD | CAC | CAB | H15 | 160.0° | 142.8° |
| NAD | CAC | H17 | H18 | 125.1° | 122.4° |
| CAC | NAD | CAJ | H20 | 45.9° | 165.4° |
| CAC | NAD | CAJ | H21 | 163.3° | 45.4° |
| C5 | C6 | CAK | CAJ | 176.9° | 179.9° |
| C5 | C6 | CAK | CAN | 2.9° | 0.4° |
| C6 | C5 | NAO | CAN | 0.6° | 0.3° |
| C6 | C5 | NAO | H23 | 179.4° | 179.8° |
| CAK | C6 | C5 | NAO | 1.4° | 0.4° |
| C6 | CAK | CAJ | NAD | 77.4° | 79.7° |
| C6 | CAK | CAJ | CAN | 173.1° | 179.7° |
| C6 | CAK | CAN | NAO | 3.3° | 0.2° |
| C6 | CAK | CAJ | H20 | 43.8° | 40.3° |
| C6 | CAK | CAJ | H21 | 161.2° | 160.3° |
| C6 | CAK | CAN | H22 | 176.7° | 179.8° |
| C5 | NAO | CAN | CAK | 2.4° | 0.1° |
| C5 | NAO | CAN | H23 | 180.0° | 179.9° |
| C5 | NAO | CAN | H22 | 177.6° | 180.0° |
| CAE | NAD | CAJ | CAK | 55.8° | 170.0° |
| NAD | CAE | CAF | H12 | 132.8° | 95.1° |
| NAD | CAE | H13 | H14 | 121.8° | 122.4° |
| CAE | NAD | CAC | H17 | 83.3° | 79.3° |
| CAE | NAD | CAC | H18 | 153.0° | 158.2° |
| CAE | NAD | CAJ | H20 | 177.1° | 50.1° |
| CAE | NAD | CAJ | H21 | 65.5° | 70.0° |
| NAD | CAJ | CAK | H20 | 121.3° | 120.0° |
| NAD | CAJ | CAK | H21 | 121.3° | 120.0° |
| NAD | CAJ | CAK | CAN | 109.5° | 100.0° |
| CAJ | NAD | CAE | H13 | 92.4° | 82.2° |
| CAJ | NAD | CAE | H14 | 28.8° | 40.2° |
| CAJ | NAD | CAC | H17 | 50.2° | 40.2° |
| CAJ | NAD | CAC | H18 | 73.5° | 82.2° |
| NAD | CAJ | H20 | H21 | 115.9° | 120.1° |
| CAJ | CAK | CAN | NAO | 177.3° | 179.9° |
| CAK | CAJ | H20 | H21 | 115.8° | 119.9° |
| CAJ | CAK | CAN | H22 | 2.7° | 0.0° |
| CAK | CAN | NAO | H22 | 180.0° | 180.0° |
| CAN | CAK | CAJ | H20 | 129.2° | 140.0° |
| CAN | CAK | CAJ | H21 | 11.8° | 20.0° |
| CAK | CAN | NAO | H23 | 177.6° | 180.0° |
| H1 | OAY | CAX | H2 | 60.8° | 60.0° |
| H1 | OAY | CAX | H3 | 60.9° | 60.0° |
| H2 | CAX | CAW | H4 | 18.1° | 65.0° |
| H2 | CAX | CAW | H5 | 102.7° | 175.0° |
| H3 | CAX | CAW | H4 | 103.6° | 55.0° |
| H3 | CAX | CAW | H5 | 135.6° | 65.0° |
| H6 | CAU | CAI | H8 | 54.7° | 180.0° |
| H6 | CAU | CAI | H9 | 174.6° | 60.0° |
| H7 | CAU | CAI | H8 | 176.6° | 60.0° |
| H7 | CAU | CAI | H9 | 63.5° | 180.0° |
| H10 | CAG | CAF | H12 | 62.4° | 175.7° |
| H11 | CAG | CAF | H12 | 177.7° | 64.3° |
| H12 | CAF | CAE | H13 | 13.4° | 23.7° |
| H12 | CAF | CAE | H14 | 107.8° | 146.1° |
| H12 | CAF | CAB | H15 | 89.0° | 122.2° |
| H15 | CAB | OAA | H16 | 55.1° | 57.8° |
| H15 | CAB | CAC | H17 | 41.7° | 24.0° |
| H15 | CAB | CAC | H18 | 81.9° | 98.5° |
| H22 | CAN | NAO | H23 | 2.4° | 0.1° |
