ECW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAV | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.38Å | 1.38Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.38Å | Aromatic |
| CAW | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.51Å | 1.36Å | |
| CAY | CAX | sing | 1.53Å | 1.55Å | |
| CAQ | NAP | sing | 1.47Å | 1.49Å | |
| BR | CAC | sing | 1.89Å | 1.89Å | |
| CAX | NAP | sing | 1.47Å | 1.51Å | |
| CAX | CAZ | sing | 1.53Å | 1.44Å | |
| CAX | CBA | sing | 1.53Å | 1.52Å | |
| NAP | CAN | sing | 1.35Å | 1.39Å | |
| CAD | CAC | sing | 1.40Å | 1.33Å | Aromatic |
| CAD | CAE | doub | 1.37Å | 1.33Å | Aromatic |
| CAC | CAB | doub | 1.35Å | 1.33Å | Aromatic |
| OAL | CAM | sing | 1.45Å | 1.43Å | |
| OAL | CAJ | sing | 1.35Å | 1.36Å | |
| CAM | CAN | sing | 1.51Å | 1.53Å | |
| CAN | OAO | doub | 1.21Å | 1.24Å | |
| CAE | CAJ | sing | 1.47Å | 1.32Å | |
| CAE | OAA | sing | 1.35Å | 1.27Å | Aromatic |
| CAB | OAA | sing | 1.34Å | 1.29Å | Aromatic |
| CAB | NAF | sing | 1.48Å | 1.33Å | |
| OAG | NAF | doub | 1.22Å | 1.46Å | |
| CAJ | OAK | doub | 1.22Å | 1.23Å | |
| NAF | OAH | sing | 1.22Å | 1.38Å | |
| CAD | H1 | sing | 1.08Å | 1.08Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAQ | H4 | sing | 1.09Å | 1.10Å | |
| CAQ | H5 | sing | 1.09Å | 1.10Å | |
| CAS | H6 | sing | 1.08Å | 1.08Å | |
| CAT | H7 | sing | 1.08Å | 1.08Å | |
| CAU | H8 | sing | 1.08Å | 1.08Å | |
| CAV | H9 | sing | 1.08Å | 1.08Å | |
| CAW | H10 | sing | 1.08Å | 1.08Å | |
| CAY | H11 | sing | 1.09Å | 1.10Å | |
| CAY | H12 | sing | 1.09Å | 1.10Å | |
| CAY | H13 | sing | 1.09Å | 1.10Å | |
| CAZ | H14 | sing | 1.09Å | 1.10Å | |
| CAZ | H15 | sing | 1.09Å | 1.10Å | |
| CAZ | H16 | sing | 1.09Å | 1.10Å | |
| CBA | H17 | sing | 1.09Å | 1.10Å | |
| CBA | H18 | sing | 1.09Å | 1.10Å | |
| CBA | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAU | CAV | CAW | 118.4° | 120.0° |
| CAV | CAU | CAT | 122.9° | 120.0° |
| CAV | CAU | H8 | 118.5° | 120.0° |
| CAU | CAV | H9 | 120.8° | 120.0° |
| CAV | CAW | CAR | 118.8° | 120.0° |
| CAW | CAV | H9 | 120.8° | 120.0° |
| CAV | CAW | H10 | 120.6° | 120.0° |
| CAU | CAT | CAS | 118.7° | 120.0° |
| CAU | CAT | H7 | 120.7° | 120.1° |
| CAT | CAU | H8 | 118.6° | 120.0° |
| CAW | CAR | CAS | 122.3° | 120.0° |
| CAW | CAR | CAQ | 119.3° | 120.0° |
| CAR | CAW | H10 | 120.6° | 120.0° |
| CAT | CAS | CAR | 118.8° | 120.0° |
| CAT | CAS | H6 | 120.6° | 120.0° |
| CAS | CAT | H7 | 120.6° | 120.0° |
| CAS | CAR | CAQ | 118.4° | 120.0° |
| CAR | CAS | H6 | 120.6° | 120.0° |
| CAR | CAQ | NAP | 113.9° | 109.5° |
| CAR | CAQ | H4 | 108.3° | 109.6° |
| CAR | CAQ | H5 | 108.3° | 109.5° |
| CAY | CAX | NAP | 132.1° | 109.4° |
| CAY | CAX | CAZ | 90.0° | 109.4° |
| CAY | CAX | CBA | 109.7° | 109.5° |
| CAX | CAY | H11 | 109.5° | 109.5° |
| CAX | CAY | H12 | 109.4° | 109.5° |
| CAX | CAY | H13 | 109.5° | 109.5° |
| CAQ | NAP | CAX | 124.0° | 119.9° |
| CAQ | NAP | CAN | 117.7° | 120.1° |
| NAP | CAQ | H4 | 108.4° | 109.5° |
| NAP | CAQ | H5 | 108.4° | 109.4° |
| BR | CAC | CAD | 125.0° | 126.5° |
| BR | CAC | CAB | 126.1° | 126.4° |
| NAP | CAX | CAZ | 95.7° | 109.5° |
| NAP | CAX | CBA | 109.4° | 109.5° |
| CAX | NAP | CAN | 118.3° | 120.0° |
| CAZ | CAX | CBA | 117.2° | 109.5° |
| CAX | CAZ | H14 | 109.5° | 109.5° |
| CAX | CAZ | H15 | 109.4° | 109.5° |
| CAX | CAZ | H16 | 109.4° | 109.5° |
| CAX | CBA | H17 | 109.5° | 109.5° |
| CAX | CBA | H18 | 109.5° | 109.4° |
| CAX | CBA | H19 | 109.5° | 109.5° |
| NAP | CAN | CAM | 112.2° | 120.0° |
| NAP | CAN | OAO | 129.4° | 120.0° |
| CAC | CAD | CAE | 103.8° | 106.7° |
| CAD | CAC | CAB | 108.9° | 107.1° |
| CAC | CAD | H1 | 128.1° | 126.6° |
| CAD | CAE | CAJ | 127.4° | 126.0° |
| CAD | CAE | OAA | 111.0° | 108.0° |
| CAE | CAD | H1 | 128.1° | 126.7° |
| CAC | CAB | OAA | 106.9° | 108.8° |
| CAC | CAB | NAF | 132.2° | 125.6° |
| CAM | OAL | CAJ | 115.3° | 117.0° |
| OAL | CAM | CAN | 108.5° | 109.5° |
| OAL | CAM | H2 | 109.7° | 109.5° |
| OAL | CAM | H3 | 109.7° | 109.5° |
| OAL | CAJ | CAE | 115.5° | 120.0° |
| OAL | CAJ | OAK | 125.6° | 120.0° |
| CAM | CAN | OAO | 118.4° | 120.0° |
| CAN | CAM | H2 | 109.7° | 109.5° |
| CAN | CAM | H3 | 109.7° | 109.5° |
| CAJ | CAE | OAA | 121.2° | 126.0° |
| CAE | CAJ | OAK | 118.2° | 120.0° |
| CAE | OAA | CAB | 109.1° | 109.4° |
| OAA | CAB | NAF | 120.7° | 125.6° |
| CAB | NAF | OAG | 121.0° | 120.0° |
| CAB | NAF | OAH | 115.8° | 120.0° |
| OAG | NAF | OAH | 122.4° | 120.0° |
| H2 | CAM | H3 | 109.5° | 109.4° |
| H4 | CAQ | H5 | 109.5° | 109.4° |
| H11 | CAY | H12 | 109.5° | 109.4° |
| H11 | CAY | H13 | 109.5° | 109.5° |
| H12 | CAY | H13 | 109.5° | 109.5° |
| H14 | CAZ | H15 | 109.5° | 109.5° |
| H14 | CAZ | H16 | 109.5° | 109.5° |
| H15 | CAZ | H16 | 109.5° | 109.4° |
| H17 | CBA | H18 | 109.4° | 109.5° |
| H17 | CBA | H19 | 109.5° | 109.5° |
| H18 | CBA | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAU | CAV | CAW | H9 | 180.0° | 179.7° |
| CAV | CAU | CAT | H8 | 180.0° | 180.0° |
| CAU | CAV | CAW | CAR | 2.6° | 0.6° |
| CAV | CAU | CAT | CAS | 0.2° | 0.0° |
| CAV | CAU | CAT | H7 | 179.9° | 179.9° |
| CAU | CAV | CAW | H10 | 177.4° | 180.0° |
| CAW | CAV | CAU | CAT | 1.5° | 0.3° |
| CAV | CAW | CAR | H10 | 180.0° | 179.4° |
| CAV | CAW | CAR | CAS | 2.2° | 0.6° |
| CAV | CAW | CAR | CAQ | 177.4° | 179.7° |
| CAW | CAV | CAU | H8 | 178.6° | 179.7° |
| CAU | CAT | CAS | H7 | 180.0° | 179.9° |
| CAU | CAT | CAS | CAR | 0.6° | 0.1° |
| CAU | CAT | CAS | H6 | 179.4° | 180.0° |
| CAT | CAU | CAV | H9 | 178.5° | 180.0° |
| CAW | CAR | CAS | CAT | 0.6° | 0.2° |
| CAW | CAR | CAS | CAQ | 179.6° | 179.7° |
| CAW | CAR | CAQ | NAP | 57.9° | 96.0° |
| CAW | CAR | CAQ | H4 | 178.5° | 24.1° |
| CAW | CAR | CAQ | H5 | 62.8° | 144.1° |
| CAW | CAR | CAS | H6 | 179.4° | 179.7° |
| CAR | CAW | CAV | H9 | 177.4° | 179.7° |
| CAT | CAS | CAR | H6 | 180.0° | 179.9° |
| CAT | CAS | CAR | CAQ | 179.0° | 180.0° |
| CAS | CAT | CAU | H8 | 179.8° | 179.9° |
| CAS | CAR | CAQ | NAP | 121.8° | 84.2° |
| CAS | CAR | CAQ | H4 | 1.1° | 155.7° |
| CAS | CAR | CAQ | H5 | 117.6° | 35.7° |
| CAR | CAS | CAT | H7 | 179.4° | 180.0° |
| CAS | CAR | CAW | H10 | 177.8° | 180.0° |
| CAR | CAQ | NAP | H4 | 120.7° | 120.1° |
| CAR | CAQ | NAP | H5 | 120.6° | 119.9° |
| CAR | CAQ | NAP | CAX | 117.3° | 95.5° |
| CAR | CAQ | NAP | CAN | 61.0° | 84.6° |
| CAR | CAQ | H4 | H5 | 118.0° | 120.0° |
| CAQ | CAR | CAS | H6 | 1.0° | 0.0° |
| CAQ | CAR | CAW | H10 | 2.6° | 0.3° |
| CAY | CAX | NAP | CAQ | 26.0° | 130.4° |
| CAY | CAX | NAP | CAZ | 95.2° | 120.0° |
| CAY | CAX | NAP | CBA | 143.3° | 120.0° |
| CAY | CAX | CAZ | CBA | 112.3° | 120.0° |
| CAY | CAX | NAP | CAN | 152.3° | 49.5° |
| CAX | CAY | H11 | H12 | 120.0° | 120.0° |
| CAX | CAY | H11 | H13 | 120.0° | 120.0° |
| CAX | CAY | H12 | H13 | 120.0° | 120.0° |
| CAY | CAX | CAZ | H14 | 180.0° | 56.6° |
| CAY | CAX | CAZ | H15 | 60.0° | 63.4° |
| CAY | CAX | CAZ | H16 | 60.0° | 176.6° |
| CAY | CAX | CBA | H17 | 180.0° | 173.0° |
| CAY | CAX | CBA | H18 | 60.0° | 53.1° |
| CAY | CAX | CBA | H19 | 60.0° | 66.9° |
| CAQ | NAP | CAX | CAN | 178.3° | 180.0° |
| CAQ | NAP | CAX | CAZ | 121.3° | 10.5° |
| CAQ | NAP | CAX | CBA | 117.3° | 109.6° |
| CAQ | NAP | CAN | CAM | 0.2° | 174.6° |
| CAQ | NAP | CAN | OAO | 176.8° | 5.4° |
| NAP | CAQ | H4 | H5 | 118.0° | 119.9° |
| BR | CAC | CAD | CAB | 177.4° | 179.9° |
| BR | CAC | CAD | CAE | 177.7° | 179.9° |
| BR | CAC | CAB | OAA | 179.5° | 180.0° |
| BR | CAC | CAB | NAF | 4.1° | 0.2° |
| BR | CAC | CAD | H1 | 2.3° | 0.0° |
| NAP | CAX | CAZ | CBA | 115.3° | 120.0° |
| CAX | NAP | CAN | CAM | 178.6° | 5.4° |
| CAX | NAP | CAN | OAO | 4.8° | 174.6° |
| CAX | NAP | CAQ | H4 | 122.0° | 24.7° |
| CAX | NAP | CAQ | H5 | 3.3° | 144.6° |
| NAP | CAX | CAY | H11 | 180.0° | 80.0° |
| NAP | CAX | CAY | H12 | 60.0° | 160.1° |
| NAP | CAX | CAY | H13 | 60.0° | 40.0° |
| NAP | CAX | CAZ | H14 | 47.6° | 63.4° |
| NAP | CAX | CAZ | H15 | 167.6° | 176.6° |
| NAP | CAX | CAZ | H16 | 72.4° | 56.7° |
| NAP | CAX | CBA | H17 | 28.1° | 67.0° |
| NAP | CAX | CBA | H18 | 91.9° | 173.1° |
| NAP | CAX | CBA | H19 | 148.1° | 53.1° |
| CAZ | CAX | NAP | CAN | 57.0° | 169.5° |
| CAZ | CAX | CAY | H11 | 82.2° | 160.0° |
| CAZ | CAX | CAY | H12 | 157.8° | 40.1° |
| CAZ | CAX | CAY | H13 | 37.8° | 79.9° |
| CAX | CAZ | H14 | H15 | 120.0° | 120.0° |
| CAX | CAZ | H14 | H16 | 120.0° | 120.0° |
| CAX | CAZ | H15 | H16 | 119.9° | 120.0° |
| CAZ | CAX | CBA | H17 | 79.4° | 53.0° |
| CAZ | CAX | CBA | H18 | 160.6° | 66.9° |
| CAZ | CAX | CBA | H19 | 40.7° | 173.1° |
| CBA | CAX | NAP | CAN | 64.4° | 70.5° |
| CBA | CAX | CAY | H11 | 36.8° | 40.0° |
| CBA | CAX | CAY | H12 | 83.2° | 79.9° |
| CBA | CAX | CAY | H13 | 156.8° | 160.0° |
| CBA | CAX | CAZ | H14 | 67.7° | 176.6° |
| CBA | CAX | CAZ | H15 | 52.3° | 56.6° |
| CBA | CAX | CAZ | H16 | 172.3° | 63.4° |
| CAX | CBA | H17 | H18 | 120.0° | 120.0° |
| CAX | CBA | H17 | H19 | 120.0° | 120.0° |
| CAX | CBA | H18 | H19 | 120.0° | 120.0° |
| NAP | CAN | CAM | OAL | 89.4° | 175.7° |
| NAP | CAN | CAM | OAO | 177.0° | 180.0° |
| NAP | CAN | CAM | H2 | 150.8° | 55.7° |
| NAP | CAN | CAM | H3 | 30.5° | 64.3° |
| CAN | NAP | CAQ | H4 | 59.7° | 155.3° |
| CAN | NAP | CAQ | H5 | 178.4° | 35.4° |
| CAC | CAD | CAE | H1 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAJ | 176.0° | 179.9° |
| CAC | CAD | CAE | OAA | 2.8° | 0.0° |
| CAD | CAC | CAB | OAA | 3.2° | 0.0° |
| CAD | CAC | CAB | NAF | 178.6° | 179.7° |
| CAE | CAD | CAC | CAB | 0.3° | 0.0° |
| CAD | CAE | CAJ | OAL | 11.9° | 180.0° |
| CAD | CAE | CAJ | OAA | 172.6° | 179.9° |
| CAD | CAE | OAA | CAB | 4.9° | 0.0° |
| CAD | CAE | CAJ | OAK | 158.7° | 0.0° |
| CAC | CAB | OAA | CAE | 4.9° | 0.0° |
| CAC | CAB | OAA | NAF | 176.0° | 179.7° |
| CAC | CAB | NAF | OAG | 0.1° | 0.3° |
| CAC | CAB | NAF | OAH | 169.8° | 179.8° |
| CAB | CAC | CAD | H1 | 179.6° | 180.0° |
| OAL | CAM | CAN | H2 | 119.9° | 120.0° |
| OAL | CAM | CAN | H3 | 119.8° | 120.0° |
| OAL | CAM | CAN | OAO | 93.6° | 4.3° |
| CAM | OAL | CAJ | CAE | 179.2° | 180.0° |
| CAM | OAL | CAJ | OAK | 9.4° | 0.0° |
| OAL | CAM | H2 | H3 | 120.4° | 120.0° |
| CAJ | OAL | CAM | CAN | 81.2° | 180.0° |
| OAL | CAJ | CAE | OAK | 170.6° | 180.0° |
| OAL | CAJ | CAE | OAA | 175.5° | 0.1° |
| CAJ | OAL | CAM | H2 | 38.7° | 60.0° |
| CAJ | OAL | CAM | H3 | 159.0° | 60.0° |
| CAN | CAM | H2 | H3 | 120.4° | 120.0° |
| OAO | CAN | CAM | H2 | 26.3° | 124.3° |
| OAO | CAN | CAM | H3 | 146.6° | 115.7° |
| CAJ | CAE | OAA | CAB | 178.7° | 179.9° |
| CAJ | CAE | CAD | H1 | 4.0° | 0.1° |
| CAE | OAA | CAB | NAF | 179.0° | 179.7° |
| OAA | CAE | CAJ | OAK | 13.9° | 179.9° |
| OAA | CAE | CAD | H1 | 177.3° | 180.0° |
| OAA | CAB | NAF | OAG | 174.8° | 180.0° |
| OAA | CAB | NAF | OAH | 15.4° | 0.1° |
| CAB | NAF | OAG | OAH | 169.2° | 179.9° |
| H6 | CAS | CAT | H7 | 0.6° | 0.1° |
| H7 | CAT | CAU | H8 | 0.2° | 0.0° |
| H8 | CAU | CAV | H9 | 1.5° | 0.0° |
| H9 | CAV | CAW | H10 | 2.6° | 0.3° |
| H11 | CAY | H12 | H13 | 120.0° | 120.0° |
| H14 | CAZ | H15 | H16 | 120.0° | 120.0° |
| H17 | CBA | H18 | H19 | 120.0° | 120.0° |
