W7Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CBC | sing | 1.53Å | 1.53Å | |
| CAC | CBC | sing | 1.53Å | 1.50Å | |
| CBC | OAR | sing | 1.45Å | 1.45Å | |
| CBC | CAA | sing | 1.53Å | 1.56Å | |
| OAR | CAT | sing | 1.35Å | 1.34Å | |
| CAJ | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAW | sing | 1.40Å | 1.36Å | Aromatic |
| CAI | CAU | sing | 1.38Å | 1.41Å | Aromatic |
| CAT | OAE | doub | 1.21Å | 1.25Å | |
| CAT | NBB | sing | 1.35Å | 1.34Å | |
| CAW | NBB | sing | 1.40Å | 1.38Å | |
| CAW | CAV | doub | 1.39Å | 1.37Å | Aromatic |
| NBB | CAO | sing | 1.47Å | 1.48Å | |
| CAU | CAL | sing | 1.51Å | 1.41Å | |
| CAU | CAK | doub | 1.38Å | 1.42Å | Aromatic |
| CAL | CAN | sing | 1.53Å | 1.57Å | |
| CAV | CAK | sing | 1.38Å | 1.35Å | Aromatic |
| CAV | CAM | sing | 1.51Å | 1.43Å | |
| CAO | CAM | sing | 1.54Å | 1.52Å | |
| CAN | CAY | sing | 1.51Å | 1.39Å | |
| OAG | CBA | doub | 1.22Å | 1.25Å | |
| CAY | CBA | sing | 1.47Å | 1.45Å | |
| CAY | CAX | doub | 1.36Å | 1.37Å | |
| CBA | NAQ | sing | 1.35Å | 1.39Å | |
| OAH | CAS | doub | 1.21Å | 1.27Å | |
| CAX | CAS | sing | 1.48Å | 1.44Å | |
| CAX | NAP | sing | 1.38Å | 1.41Å | |
| CAS | OAD | sing | 1.35Å | 1.25Å | |
| NAQ | CAZ | sing | 1.34Å | 1.37Å | |
| NAP | CAZ | sing | 1.34Å | 1.40Å | |
| CAZ | OAF | doub | 1.22Å | 1.21Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| NAQ | H2 | sing | 0.97Å | 1.00Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAN | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAK | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| CAC | H18 | sing | 1.09Å | 1.10Å | |
| CAC | H19 | sing | 1.09Å | 1.10Å | |
| CAC | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å | |
| CAA | H22 | sing | 1.09Å | 1.10Å | |
| CAA | H23 | sing | 1.09Å | 1.10Å | |
| NAP | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CBC | CAC | 110.2° | 109.4° |
| CAB | CBC | OAR | 104.6° | 109.5° |
| CAB | CBC | CAA | 111.7° | 109.5° |
| CBC | CAB | H15 | 109.5° | 109.5° |
| CBC | CAB | H16 | 109.5° | 109.5° |
| CBC | CAB | H17 | 109.5° | 109.4° |
| CAC | CBC | OAR | 105.1° | 109.4° |
| CAC | CBC | CAA | 113.4° | 109.5° |
| CBC | CAC | H18 | 109.5° | 109.5° |
| CBC | CAC | H19 | 109.5° | 109.4° |
| CBC | CAC | H20 | 109.5° | 109.5° |
| OAR | CBC | CAA | 111.4° | 109.5° |
| CBC | OAR | CAT | 125.9° | 117.0° |
| CBC | CAA | H21 | 109.5° | 109.5° |
| CBC | CAA | H22 | 109.5° | 109.5° |
| CBC | CAA | H23 | 109.5° | 109.5° |
| OAR | CAT | OAE | 123.3° | 120.0° |
| OAR | CAT | NBB | 114.2° | 120.0° |
| CAI | CAJ | CAW | 121.3° | 120.3° |
| CAJ | CAI | CAU | 118.8° | 120.2° |
| CAJ | CAI | H9 | 120.6° | 119.9° |
| CAI | CAJ | H10 | 119.3° | 119.8° |
| CAJ | CAW | NBB | 132.2° | 129.3° |
| CAJ | CAW | CAV | 119.6° | 119.1° |
| CAW | CAJ | H10 | 119.4° | 119.9° |
| CAI | CAU | CAL | 123.3° | 120.1° |
| CAI | CAU | CAK | 117.7° | 119.8° |
| CAU | CAI | H9 | 120.6° | 119.9° |
| OAE | CAT | NBB | 121.7° | 120.0° |
| CAT | NBB | CAW | 130.0° | 124.9° |
| CAT | NBB | CAO | 118.9° | 125.0° |
| NBB | CAW | CAV | 108.2° | 111.6° |
| CAW | NBB | CAO | 111.0° | 110.0° |
| CAW | CAV | CAK | 121.4° | 120.4° |
| CAW | CAV | CAM | 111.6° | 108.6° |
| NBB | CAO | CAM | 101.9° | 105.2° |
| NBB | CAO | H13 | 111.3° | 110.4° |
| NBB | CAO | H14 | 111.3° | 110.2° |
| CAL | CAU | CAK | 118.8° | 120.1° |
| CAU | CAL | CAN | 113.4° | 109.5° |
| CAU | CAL | H6 | 108.5° | 109.5° |
| CAU | CAL | H7 | 108.5° | 109.5° |
| CAU | CAK | CAV | 121.0° | 120.2° |
| CAU | CAK | H8 | 119.5° | 119.9° |
| CAL | CAN | CAY | 112.4° | 109.5° |
| CAL | CAN | H4 | 108.7° | 109.5° |
| CAL | CAN | H5 | 108.7° | 109.5° |
| CAN | CAL | H6 | 108.5° | 109.5° |
| CAN | CAL | H7 | 108.5° | 109.5° |
| CAK | CAV | CAM | 127.0° | 131.0° |
| CAV | CAK | H8 | 119.5° | 119.9° |
| CAV | CAM | CAO | 105.7° | 104.6° |
| CAV | CAM | H11 | 110.4° | 110.4° |
| CAV | CAM | H12 | 110.4° | 110.4° |
| CAO | CAM | H11 | 110.4° | 110.4° |
| CAO | CAM | H12 | 110.4° | 110.6° |
| CAM | CAO | H13 | 111.3° | 110.3° |
| CAM | CAO | H14 | 111.3° | 110.3° |
| CAN | CAY | CBA | 120.8° | 120.8° |
| CAN | CAY | CAX | 121.7° | 120.8° |
| CAY | CAN | H4 | 108.7° | 109.5° |
| CAY | CAN | H5 | 108.7° | 109.4° |
| OAG | CBA | CAY | 121.8° | 120.6° |
| OAG | CBA | NAQ | 119.2° | 120.6° |
| CBA | CAY | CAX | 117.4° | 118.4° |
| CAY | CBA | NAQ | 119.0° | 118.8° |
| CAY | CAX | CAS | 126.3° | 120.3° |
| CAY | CAX | NAP | 122.0° | 119.4° |
| CBA | NAQ | CAZ | 123.3° | 120.5° |
| CBA | NAQ | H2 | 118.4° | 119.8° |
| OAH | CAS | CAX | 120.8° | 120.0° |
| OAH | CAS | OAD | 123.4° | 120.0° |
| CAS | CAX | NAP | 111.5° | 120.3° |
| CAX | CAS | OAD | 115.7° | 120.0° |
| CAX | NAP | CAZ | 120.2° | 121.2° |
| CAX | NAP | H24 | 119.9° | 119.4° |
| CAS | OAD | H1 | 109.5° | 117.0° |
| NAQ | CAZ | NAP | 118.0° | 121.7° |
| NAQ | CAZ | OAF | 122.1° | 119.2° |
| CAZ | NAQ | H2 | 118.3° | 119.7° |
| NAP | CAZ | OAF | 119.6° | 119.1° |
| CAZ | NAP | H24 | 119.9° | 119.4° |
| H4 | CAN | H5 | 109.5° | 109.5° |
| H6 | CAL | H7 | 109.5° | 109.5° |
| H11 | CAM | H12 | 109.5° | 110.4° |
| H13 | CAO | H14 | 109.5° | 110.3° |
| H15 | CAB | H16 | 109.4° | 109.5° |
| H15 | CAB | H17 | 109.5° | 109.4° |
| H16 | CAB | H17 | 109.5° | 109.5° |
| H18 | CAC | H19 | 109.5° | 109.4° |
| H18 | CAC | H20 | 109.5° | 109.5° |
| H19 | CAC | H20 | 109.5° | 109.5° |
| H21 | CAA | H22 | 109.5° | 109.5° |
| H21 | CAA | H23 | 109.5° | 109.4° |
| H22 | CAA | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CBC | CAC | OAR | 112.1° | 120.0° |
| CAB | CBC | CAC | CAA | 126.0° | 120.0° |
| CAB | CBC | OAR | CAA | 120.8° | 120.0° |
| CAB | CBC | OAR | CAT | 172.1° | 180.0° |
| CBC | CAB | H15 | H16 | 120.0° | 120.0° |
| CBC | CAB | H15 | H17 | 120.0° | 119.9° |
| CBC | CAB | H16 | H17 | 120.0° | 120.0° |
| CAB | CBC | CAC | H18 | 180.0° | 180.0° |
| CAB | CBC | CAC | H19 | 60.0° | 60.0° |
| CAB | CBC | CAC | H20 | 60.0° | 60.0° |
| CAB | CBC | CAA | H21 | 180.0° | 60.1° |
| CAB | CBC | CAA | H22 | 60.0° | 60.0° |
| CAB | CBC | CAA | H23 | 60.0° | 180.0° |
| CAC | CBC | OAR | CAA | 123.2° | 120.0° |
| CAC | CBC | OAR | CAT | 71.9° | 60.1° |
| CAC | CBC | CAB | H15 | 180.0° | 60.0° |
| CAC | CBC | CAB | H16 | 60.0° | 60.0° |
| CAC | CBC | CAB | H17 | 60.0° | 180.0° |
| CBC | CAC | H18 | H19 | 120.0° | 120.0° |
| CBC | CAC | H18 | H20 | 120.0° | 120.0° |
| CBC | CAC | H19 | H20 | 120.0° | 120.0° |
| CAC | CBC | CAA | H21 | 54.8° | 180.0° |
| CAC | CBC | CAA | H22 | 174.9° | 60.0° |
| CAC | CBC | CAA | H23 | 65.2° | 60.0° |
| CBC | OAR | CAT | OAE | 14.3° | 0.0° |
| CBC | OAR | CAT | NBB | 175.4° | 180.0° |
| OAR | CBC | CAB | H15 | 67.6° | 59.9° |
| OAR | CBC | CAB | H16 | 52.4° | 180.0° |
| OAR | CBC | CAB | H17 | 172.4° | 60.0° |
| OAR | CBC | CAC | H18 | 67.9° | 60.1° |
| OAR | CBC | CAC | H19 | 172.1° | 180.0° |
| OAR | CBC | CAC | H20 | 52.1° | 60.0° |
| OAR | CBC | CAA | H21 | 63.5° | 60.0° |
| OAR | CBC | CAA | H22 | 56.5° | 180.0° |
| OAR | CBC | CAA | H23 | 176.5° | 60.0° |
| CAA | CBC | OAR | CAT | 51.3° | 60.0° |
| CAA | CBC | CAB | H15 | 53.1° | 180.0° |
| CAA | CBC | CAB | H16 | 173.0° | 60.0° |
| CAA | CBC | CAB | H17 | 67.0° | 60.0° |
| CAA | CBC | CAC | H18 | 54.0° | 60.0° |
| CAA | CBC | CAC | H19 | 66.0° | 60.0° |
| CAA | CBC | CAC | H20 | 174.1° | 180.0° |
| CBC | CAA | H21 | H22 | 120.0° | 120.1° |
| CBC | CAA | H21 | H23 | 120.0° | 120.0° |
| CBC | CAA | H22 | H23 | 120.0° | 120.0° |
| OAR | CAT | OAE | NBB | 169.6° | 180.0° |
| OAR | CAT | NBB | CAW | 10.4° | 180.0° |
| OAR | CAT | NBB | CAO | 174.1° | 0.1° |
| CAI | CAJ | CAW | H10 | 180.0° | 180.0° |
| CAJ | CAI | CAU | H9 | 180.0° | 180.0° |
| CAI | CAJ | CAW | NBB | 172.8° | 180.0° |
| CAI | CAJ | CAW | CAV | 3.8° | 0.2° |
| CAJ | CAI | CAU | CAL | 179.5° | 180.0° |
| CAJ | CAI | CAU | CAK | 4.5° | 0.3° |
| CAW | CAJ | CAI | CAU | 6.3° | 0.0° |
| CAJ | CAW | NBB | CAT | 5.3° | 0.0° |
| CAJ | CAW | NBB | CAV | 176.9° | 179.8° |
| CAJ | CAW | NBB | CAO | 170.5° | 179.9° |
| CAJ | CAW | CAV | CAK | 0.6° | 0.2° |
| CAJ | CAW | CAV | CAM | 179.5° | 180.0° |
| CAW | CAJ | CAI | H9 | 173.7° | 180.0° |
| CAI | CAU | CAL | CAK | 174.9° | 179.7° |
| CAI | CAU | CAL | CAN | 100.0° | 90.3° |
| CAI | CAU | CAK | CAV | 0.4° | 0.3° |
| CAI | CAU | CAL | H6 | 139.4° | 149.7° |
| CAI | CAU | CAL | H7 | 20.6° | 29.7° |
| CAI | CAU | CAK | H8 | 179.6° | 179.8° |
| CAU | CAI | CAJ | H10 | 173.6° | 180.0° |
| OAE | CAT | NBB | CAW | 179.2° | 0.1° |
| OAE | CAT | NBB | CAO | 3.6° | 179.8° |
| CAT | NBB | CAW | CAO | 175.8° | 179.9° |
| CAT | NBB | CAW | CAV | 177.8° | 179.8° |
| CAT | NBB | CAO | CAM | 172.2° | 179.8° |
| CAT | NBB | CAO | H13 | 69.0° | 61.2° |
| CAT | NBB | CAO | H14 | 53.4° | 60.9° |
| NBB | CAW | CAV | CAK | 177.9° | 180.0° |
| NBB | CAW | CAV | CAM | 2.2° | 0.2° |
| CAW | NBB | CAO | CAM | 11.5° | 0.3° |
| NBB | CAW | CAJ | H10 | 7.2° | 0.0° |
| CAW | NBB | CAO | H13 | 107.3° | 118.7° |
| CAW | NBB | CAO | H14 | 130.3° | 119.2° |
| CAV | CAW | NBB | CAO | 6.4° | 0.3° |
| CAW | CAV | CAK | CAU | 2.2° | 0.0° |
| CAW | CAV | CAK | CAM | 179.9° | 179.7° |
| CAW | CAV | CAM | CAO | 9.4° | 0.0° |
| CAW | CAV | CAK | H8 | 177.8° | 180.0° |
| CAV | CAW | CAJ | H10 | 176.2° | 179.7° |
| CAW | CAV | CAM | H11 | 110.1° | 118.8° |
| CAW | CAV | CAM | H12 | 128.7° | 118.9° |
| NBB | CAO | CAM | CAV | 12.1° | 0.2° |
| NBB | CAO | CAM | H13 | 118.8° | 119.1° |
| NBB | CAO | CAM | H14 | 118.8° | 118.8° |
| NBB | CAO | CAM | H11 | 107.3° | 118.9° |
| NBB | CAO | CAM | H12 | 131.5° | 118.6° |
| NBB | CAO | H13 | H14 | 123.5° | 122.0° |
| CAU | CAL | CAN | H6 | 120.6° | 120.0° |
| CAU | CAL | CAN | H7 | 120.6° | 120.1° |
| CAL | CAU | CAK | CAV | 175.6° | 180.0° |
| CAU | CAL | CAN | CAY | 84.6° | 180.0° |
| CAU | CAL | CAN | H4 | 155.0° | 60.0° |
| CAU | CAL | CAN | H5 | 35.9° | 60.0° |
| CAU | CAL | H6 | H7 | 118.2° | 120.0° |
| CAL | CAU | CAK | H8 | 4.4° | 0.0° |
| CAL | CAU | CAI | H9 | 0.5° | 0.0° |
| CAK | CAU | CAL | CAN | 74.9° | 90.0° |
| CAU | CAK | CAV | H8 | 180.0° | 179.9° |
| CAU | CAK | CAV | CAM | 177.9° | 179.7° |
| CAK | CAU | CAL | H6 | 45.7° | 30.0° |
| CAK | CAU | CAL | H7 | 164.5° | 150.0° |
| CAK | CAU | CAI | H9 | 175.5° | 179.7° |
| CAL | CAN | CAY | H4 | 120.4° | 120.0° |
| CAL | CAN | CAY | H5 | 120.4° | 120.0° |
| CAL | CAN | CAY | CBA | 70.6° | 88.1° |
| CAL | CAN | CAY | CAX | 106.4° | 91.4° |
| CAL | CAN | H4 | H5 | 118.6° | 120.0° |
| CAN | CAL | H6 | H7 | 118.2° | 120.0° |
| CAK | CAV | CAM | CAO | 170.7° | 179.8° |
| CAK | CAV | CAM | H11 | 69.8° | 61.0° |
| CAK | CAV | CAM | H12 | 51.3° | 61.3° |
| CAV | CAM | CAO | H11 | 119.4° | 118.8° |
| CAV | CAM | CAO | H12 | 119.4° | 118.8° |
| CAM | CAV | CAK | H8 | 2.1° | 0.3° |
| CAV | CAM | H11 | H12 | 121.7° | 122.3° |
| CAV | CAM | CAO | H13 | 106.7° | 119.0° |
| CAV | CAM | CAO | H14 | 130.8° | 119.0° |
| CAO | CAM | H11 | H12 | 121.8° | 122.6° |
| CAM | CAO | H13 | H14 | 123.5° | 122.0° |
| CAN | CAY | CBA | OAG | 1.2° | 0.2° |
| CAN | CAY | CBA | CAX | 177.1° | 179.5° |
| CAN | CAY | CBA | NAQ | 178.5° | 180.0° |
| CAN | CAY | CAX | CAS | 0.8° | 0.3° |
| CAN | CAY | CAX | NAP | 175.3° | 180.0° |
| CAY | CAN | H4 | H5 | 118.7° | 120.0° |
| CAY | CAN | CAL | H6 | 36.0° | 60.0° |
| CAY | CAN | CAL | H7 | 154.9° | 60.0° |
| OAG | CBA | CAY | NAQ | 179.7° | 179.8° |
| OAG | CBA | CAY | CAX | 178.3° | 179.8° |
| OAG | CBA | NAQ | CAZ | 177.4° | 180.0° |
| OAG | CBA | NAQ | H2 | 2.6° | 0.0° |
| CBA | CAY | CAX | CAS | 176.4° | 179.8° |
| CBA | CAY | CAX | NAP | 1.9° | 0.5° |
| CAY | CBA | NAQ | CAZ | 2.3° | 0.2° |
| CAY | CBA | NAQ | H2 | 177.7° | 179.8° |
| CBA | CAY | CAN | H4 | 49.9° | 31.8° |
| CBA | CAY | CAN | H5 | 169.0° | 151.8° |
| CAX | CAY | CBA | NAQ | 1.4° | 0.4° |
| CAY | CAX | CAS | OAH | 51.7° | 6.3° |
| CAY | CAX | CAS | NAP | 175.0° | 179.8° |
| CAY | CAX | CAS | OAD | 131.4° | 173.7° |
| CAY | CAX | NAP | CAZ | 4.3° | 0.3° |
| CAX | CAY | CAN | H4 | 133.1° | 148.6° |
| CAX | CAY | CAN | H5 | 14.0° | 28.7° |
| CAY | CAX | NAP | H24 | 175.7° | 179.8° |
| CBA | NAQ | CAZ | H2 | 180.0° | 180.0° |
| CBA | NAQ | CAZ | NAP | 0.1° | 0.0° |
| CBA | NAQ | CAZ | OAF | 173.3° | 180.0° |
| OAH | CAS | CAX | OAD | 176.9° | 180.0° |
| OAH | CAS | CAX | NAP | 133.4° | 174.0° |
| OAH | CAS | OAD | H1 | 0.0° | 0.0° |
| CAS | CAX | NAP | CAZ | 179.6° | 180.0° |
| CAX | CAS | OAD | H1 | 176.8° | 180.0° |
| CAS | CAX | NAP | H24 | 0.4° | 0.0° |
| NAP | CAX | CAS | OAD | 43.6° | 6.0° |
| CAX | NAP | CAZ | NAQ | 3.4° | 0.0° |
| CAX | NAP | CAZ | H24 | 180.0° | 180.0° |
| CAX | NAP | CAZ | OAF | 176.7° | 180.0° |
| NAQ | CAZ | NAP | OAF | 173.4° | 179.9° |
| NAQ | CAZ | NAP | H24 | 176.6° | 180.0° |
| NAP | CAZ | NAQ | H2 | 179.9° | 180.0° |
| OAF | CAZ | NAQ | H2 | 6.7° | 0.0° |
| OAF | CAZ | NAP | H24 | 3.2° | 0.1° |
| H4 | CAN | CAL | H6 | 84.4° | 180.0° |
| H4 | CAN | CAL | H7 | 34.4° | 60.0° |
| H5 | CAN | CAL | H6 | 156.5° | 60.0° |
| H5 | CAN | CAL | H7 | 84.7° | 180.0° |
| H9 | CAI | CAJ | H10 | 6.3° | 0.0° |
| H11 | CAM | CAO | H13 | 133.9° | 0.2° |
| H11 | CAM | CAO | H14 | 11.4° | 122.2° |
| H12 | CAM | CAO | H13 | 12.7° | 122.3° |
| H12 | CAM | CAO | H14 | 109.8° | 0.2° |
| H15 | CAB | H16 | H17 | 120.0° | 120.0° |
| H18 | CAC | H19 | H20 | 120.0° | 120.0° |
| H21 | CAA | H22 | H23 | 120.0° | 120.0° |
