6XF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | CAU | sing | 1.51Å | 1.52Å | |
| CAO | CAV | sing | 1.51Å | 1.47Å | |
| CAB | CBB | sing | 1.53Å | 1.55Å | |
| CAG | CAV | doub | 1.38Å | 1.38Å | Aromatic |
| CAG | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| OAD | CAU | doub | 1.21Å | 1.25Å | |
| CAU | NBC | sing | 1.35Å | 1.33Å | |
| CAV | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAY | doub | 1.38Å | 1.35Å | Aromatic |
| NBC | CBB | sing | 1.46Å | 1.46Å | |
| NBC | CAP | sing | 1.47Å | 1.48Å | |
| CBB | CAC | sing | 1.53Å | 1.57Å | |
| CAH | CAN | doub | 1.38Å | 1.41Å | Aromatic |
| CAP | CAZ | sing | 1.51Å | 1.49Å | |
| CAY | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | NBD | sing | 1.48Å | 1.33Å | |
| NBD | OAF | sing | 1.22Å | 1.29Å | |
| NBD | OAE | doub | 1.22Å | 1.34Å | |
| CAZ | OAT | sing | 1.34Å | 1.35Å | Aromatic |
| CAZ | NAR | doub | 1.31Å | 1.34Å | Aromatic |
| OAT | NAQ | sing | 1.21Å | 1.42Å | Aromatic |
| NAR | CBA | sing | 1.35Å | 1.36Å | Aromatic |
| NAQ | CBA | doub | 1.31Å | 1.31Å | Aromatic |
| CBA | CAX | sing | 1.48Å | 1.41Å | |
| CAX | CAK | doub | 1.39Å | 1.36Å | Aromatic |
| CAX | CAL | sing | 1.39Å | 1.38Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.37Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.42Å | Aromatic |
| CAI | CAW | doub | 1.39Å | 1.38Å | Aromatic |
| CAJ | CAW | sing | 1.39Å | 1.40Å | Aromatic |
| CAW | OAS | sing | 1.36Å | 1.42Å | |
| OAS | CAA | sing | 1.43Å | 1.45Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CBB | H10 | sing | 1.09Å | 1.10Å | |
| CAC | H11 | sing | 1.09Å | 1.10Å | |
| CAC | H12 | sing | 1.09Å | 1.10Å | |
| CAC | H13 | sing | 1.09Å | 1.10Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAO | H17 | sing | 1.09Å | 1.10Å | |
| CAO | H18 | sing | 1.09Å | 1.10Å | |
| CAG | H19 | sing | 1.08Å | 1.08Å | |
| CAM | H20 | sing | 1.08Å | 1.08Å | |
| CAN | H21 | sing | 1.08Å | 1.08Å | |
| CAH | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAU | CAO | CAV | 110.6° | 109.4° |
| CAO | CAU | OAD | 121.6° | 120.0° |
| CAO | CAU | NBC | 117.2° | 119.9° |
| CAU | CAO | H17 | 109.2° | 109.5° |
| CAU | CAO | H18 | 109.2° | 109.5° |
| CAO | CAV | CAG | 116.4° | 120.0° |
| CAO | CAV | CAH | 122.1° | 120.0° |
| CAV | CAO | H17 | 109.2° | 109.4° |
| CAV | CAO | H18 | 109.2° | 109.4° |
| CAB | CBB | NBC | 109.1° | 109.5° |
| CAB | CBB | CAC | 114.7° | 109.5° |
| CAB | CBB | H10 | 107.1° | 109.4° |
| CBB | CAB | H14 | 109.5° | 109.5° |
| CBB | CAB | H15 | 109.5° | 109.5° |
| CBB | CAB | H16 | 109.5° | 109.5° |
| CAV | CAG | CAM | 119.7° | 120.0° |
| CAG | CAV | CAH | 121.5° | 120.0° |
| CAV | CAG | H19 | 120.2° | 120.0° |
| CAG | CAM | CAY | 120.0° | 120.0° |
| CAM | CAG | H19 | 120.2° | 120.0° |
| CAG | CAM | H20 | 120.0° | 120.0° |
| OAD | CAU | NBC | 120.9° | 120.0° |
| CAU | NBC | CBB | 124.4° | 120.0° |
| CAU | NBC | CAP | 116.7° | 119.9° |
| CAV | CAH | CAN | 117.9° | 120.0° |
| CAV | CAH | H22 | 121.0° | 120.0° |
| CAM | CAY | CAN | 121.1° | 120.0° |
| CAM | CAY | NBD | 118.6° | 120.0° |
| CAY | CAM | H20 | 120.0° | 120.0° |
| CBB | NBC | CAP | 118.9° | 120.0° |
| NBC | CBB | CAC | 110.7° | 109.5° |
| NBC | CBB | H10 | 108.2° | 109.5° |
| NBC | CAP | CAZ | 113.9° | 109.5° |
| NBC | CAP | H8 | 108.4° | 109.4° |
| NBC | CAP | H9 | 108.4° | 109.5° |
| CAC | CBB | H10 | 106.8° | 109.4° |
| CBB | CAC | H11 | 109.5° | 109.4° |
| CBB | CAC | H12 | 109.5° | 109.5° |
| CBB | CAC | H13 | 109.5° | 109.4° |
| CAH | CAN | CAY | 119.9° | 120.0° |
| CAH | CAN | H21 | 120.1° | 120.0° |
| CAN | CAH | H22 | 121.0° | 120.0° |
| CAP | CAZ | OAT | 121.7° | 126.4° |
| CAP | CAZ | NAR | 128.8° | 126.4° |
| CAZ | CAP | H8 | 108.3° | 109.5° |
| CAZ | CAP | H9 | 108.3° | 109.5° |
| CAN | CAY | NBD | 120.2° | 120.0° |
| CAY | CAN | H21 | 120.0° | 120.0° |
| CAY | NBD | OAF | 122.1° | 120.0° |
| CAY | NBD | OAE | 123.8° | 120.0° |
| OAF | NBD | OAE | 113.6° | 120.0° |
| OAT | CAZ | NAR | 109.4° | 107.2° |
| CAZ | OAT | NAQ | 105.1° | 110.0° |
| CAZ | NAR | CBA | 108.5° | 105.6° |
| OAT | NAQ | CBA | 108.6° | 110.1° |
| NAR | CBA | NAQ | 108.4° | 107.1° |
| NAR | CBA | CAX | 127.5° | 126.4° |
| NAQ | CBA | CAX | 124.0° | 126.4° |
| CBA | CAX | CAK | 117.1° | 120.1° |
| CBA | CAX | CAL | 124.4° | 120.1° |
| CAK | CAX | CAL | 118.5° | 119.9° |
| CAX | CAK | CAI | 121.5° | 119.9° |
| CAX | CAK | H7 | 119.3° | 120.0° |
| CAX | CAL | CAJ | 120.4° | 119.9° |
| CAX | CAL | H5 | 119.8° | 120.1° |
| CAK | CAI | CAW | 122.3° | 120.1° |
| CAK | CAI | H6 | 118.8° | 120.0° |
| CAI | CAK | H7 | 119.3° | 120.1° |
| CAL | CAJ | CAW | 120.2° | 120.1° |
| CAL | CAJ | H4 | 119.9° | 120.0° |
| CAJ | CAL | H5 | 119.8° | 120.0° |
| CAI | CAW | CAJ | 117.0° | 120.1° |
| CAI | CAW | OAS | 116.9° | 120.0° |
| CAW | CAI | H6 | 118.9° | 119.9° |
| CAJ | CAW | OAS | 126.1° | 119.9° |
| CAW | CAJ | H4 | 119.9° | 120.0° |
| CAW | OAS | CAA | 107.1° | 116.9° |
| OAS | CAA | H1 | 109.5° | 109.5° |
| OAS | CAA | H2 | 109.5° | 109.4° |
| OAS | CAA | H3 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H8 | CAP | H9 | 109.4° | 109.5° |
| H11 | CAC | H12 | 109.5° | 109.5° |
| H11 | CAC | H13 | 109.4° | 109.5° |
| H12 | CAC | H13 | 109.5° | 109.5° |
| H14 | CAB | H15 | 109.5° | 109.4° |
| H14 | CAB | H16 | 109.5° | 109.5° |
| H15 | CAB | H16 | 109.4° | 109.4° |
| H17 | CAO | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAU | CAO | CAV | H17 | 120.2° | 120.0° |
| CAU | CAO | CAV | H18 | 120.2° | 120.0° |
| CAU | CAO | CAV | CAG | 142.1° | 89.7° |
| CAO | CAU | OAD | NBC | 173.8° | 180.0° |
| CAU | CAO | CAV | CAH | 37.6° | 90.0° |
| CAO | CAU | NBC | CBB | 4.7° | 5.1° |
| CAO | CAU | NBC | CAP | 175.7° | 174.9° |
| CAU | CAO | H17 | H18 | 119.5° | 120.1° |
| CAO | CAV | CAG | CAH | 179.7° | 179.8° |
| CAO | CAV | CAG | CAM | 178.8° | 180.0° |
| CAV | CAO | CAU | OAD | 101.8° | 4.6° |
| CAV | CAO | CAU | NBC | 84.1° | 175.4° |
| CAO | CAV | CAH | CAN | 179.0° | 179.8° |
| CAV | CAO | H17 | H18 | 119.5° | 119.9° |
| CAO | CAV | CAG | H19 | 1.2° | 0.1° |
| CAO | CAV | CAH | H22 | 1.0° | 0.0° |
| CAB | CBB | NBC | CAU | 101.4° | 124.9° |
| CAB | CBB | NBC | CAC | 127.2° | 120.0° |
| CAB | CBB | NBC | H10 | 116.1° | 120.0° |
| CAB | CBB | NBC | CAP | 79.0° | 55.1° |
| CAB | CBB | CAC | H10 | 118.5° | 119.9° |
| CAB | CBB | CAC | H11 | 180.0° | 53.3° |
| CAB | CBB | CAC | H12 | 60.0° | 66.7° |
| CAB | CBB | CAC | H13 | 60.0° | 173.3° |
| CBB | CAB | H14 | H15 | 120.0° | 120.0° |
| CBB | CAB | H14 | H16 | 120.0° | 120.0° |
| CBB | CAB | H15 | H16 | 120.0° | 120.0° |
| CAV | CAG | CAM | H19 | 180.0° | 179.9° |
| CAV | CAG | CAM | CAY | 0.9° | 0.1° |
| CAG | CAV | CAH | CAN | 1.4° | 0.4° |
| CAG | CAV | CAO | H17 | 21.9° | 150.2° |
| CAG | CAV | CAO | H18 | 97.8° | 30.3° |
| CAV | CAG | CAM | H20 | 179.1° | 180.0° |
| CAG | CAV | CAH | H22 | 178.6° | 179.7° |
| CAM | CAG | CAV | CAH | 1.5° | 0.3° |
| CAG | CAM | CAY | H20 | 180.0° | 179.9° |
| CAG | CAM | CAY | CAN | 0.1° | 0.0° |
| CAG | CAM | CAY | NBD | 176.0° | 180.0° |
| OAD | CAU | NBC | CBB | 178.8° | 174.9° |
| OAD | CAU | NBC | CAP | 1.6° | 5.1° |
| OAD | CAU | CAO | H17 | 138.0° | 124.6° |
| OAD | CAU | CAO | H18 | 18.3° | 115.3° |
| CAU | NBC | CBB | CAP | 179.6° | 180.0° |
| CAU | NBC | CBB | CAC | 131.4° | 115.1° |
| CAU | NBC | CAP | CAZ | 88.0° | 90.0° |
| CAU | NBC | CAP | H8 | 32.7° | 150.0° |
| CAU | NBC | CAP | H9 | 151.4° | 30.0° |
| CAU | NBC | CBB | H10 | 14.7° | 4.9° |
| NBC | CAU | CAO | H17 | 36.1° | 55.4° |
| NBC | CAU | CAO | H18 | 155.7° | 64.7° |
| CAV | CAH | CAN | H22 | 180.0° | 179.9° |
| CAV | CAH | CAN | CAY | 0.5° | 0.4° |
| CAH | CAV | CAO | H17 | 157.8° | 30.0° |
| CAH | CAV | CAO | H18 | 82.6° | 150.0° |
| CAH | CAV | CAG | H19 | 178.5° | 179.8° |
| CAV | CAH | CAN | H21 | 179.5° | 179.7° |
| CAM | CAY | CAN | CAH | 0.1° | 0.1° |
| CAM | CAY | CAN | NBD | 176.0° | 180.0° |
| CAM | CAY | NBD | OAF | 15.1° | 0.0° |
| CAM | CAY | NBD | OAE | 173.8° | 180.0° |
| CAY | CAM | CAG | H19 | 179.2° | 180.0° |
| CAM | CAY | CAN | H21 | 179.9° | 179.9° |
| NBC | CBB | CAC | H10 | 117.5° | 120.0° |
| CBB | NBC | CAP | CAZ | 91.6° | 89.9° |
| CBB | NBC | CAP | H8 | 147.7° | 30.0° |
| CBB | NBC | CAP | H9 | 29.0° | 150.0° |
| NBC | CBB | CAC | H11 | 56.0° | 66.8° |
| NBC | CBB | CAC | H12 | 64.0° | 173.3° |
| NBC | CBB | CAC | H13 | 176.0° | 53.3° |
| NBC | CBB | CAB | H14 | 180.0° | 54.4° |
| NBC | CBB | CAB | H15 | 60.0° | 174.4° |
| NBC | CBB | CAB | H16 | 60.0° | 65.7° |
| CAP | NBC | CBB | CAC | 48.2° | 64.9° |
| NBC | CAP | CAZ | H8 | 120.7° | 119.9° |
| NBC | CAP | CAZ | H9 | 120.7° | 120.0° |
| NBC | CAP | CAZ | OAT | 47.5° | 90.0° |
| NBC | CAP | CAZ | NAR | 128.6° | 90.0° |
| NBC | CAP | H8 | H9 | 118.0° | 120.0° |
| CAP | NBC | CBB | H10 | 164.9° | 175.1° |
| CBB | CAC | H11 | H12 | 120.0° | 120.0° |
| CBB | CAC | H11 | H13 | 120.0° | 120.0° |
| CBB | CAC | H12 | H13 | 120.0° | 120.0° |
| CAC | CBB | CAB | H14 | 55.1° | 174.4° |
| CAC | CBB | CAB | H15 | 64.9° | 65.6° |
| CAC | CBB | CAB | H16 | 175.1° | 54.4° |
| CAH | CAN | CAY | H21 | 180.0° | 179.9° |
| CAH | CAN | CAY | NBD | 176.1° | 179.8° |
| CAP | CAZ | OAT | NAR | 176.8° | 180.0° |
| CAP | CAZ | OAT | NAQ | 176.1° | 179.9° |
| CAP | CAZ | NAR | CBA | 178.0° | 179.8° |
| CAZ | CAP | H8 | H9 | 117.9° | 120.1° |
| CAN | CAY | NBD | OAF | 161.0° | 180.0° |
| CAN | CAY | NBD | OAE | 10.1° | 0.1° |
| CAN | CAY | CAM | H20 | 179.9° | 179.9° |
| CAY | CAN | CAH | H22 | 179.5° | 179.8° |
| CAY | NBD | OAF | OAE | 171.9° | 180.0° |
| NBD | CAY | CAM | H20 | 4.0° | 0.0° |
| NBD | CAY | CAN | H21 | 3.9° | 0.1° |
| OAT | CAZ | NAR | CBA | 1.6° | 0.2° |
| CAZ | OAT | NAQ | CBA | 2.7° | 0.1° |
| OAT | CAZ | CAP | H8 | 73.2° | 30.0° |
| OAT | CAZ | CAP | H9 | 168.2° | 150.0° |
| NAR | CAZ | OAT | NAQ | 0.6° | 0.1° |
| CAZ | NAR | CBA | NAQ | 3.3° | 0.2° |
| CAZ | NAR | CBA | CAX | 179.8° | 180.0° |
| NAR | CAZ | CAP | H8 | 110.7° | 150.0° |
| NAR | CAZ | CAP | H9 | 7.9° | 30.0° |
| OAT | NAQ | CBA | NAR | 3.7° | 0.2° |
| OAT | NAQ | CBA | CAX | 179.3° | 180.0° |
| NAR | CBA | NAQ | CAX | 177.0° | 179.8° |
| NAR | CBA | CAX | CAK | 16.6° | 180.0° |
| NAR | CBA | CAX | CAL | 163.4° | 0.4° |
| NAQ | CBA | CAX | CAK | 167.0° | 0.2° |
| NAQ | CBA | CAX | CAL | 13.0° | 179.4° |
| CBA | CAX | CAK | CAL | 180.0° | 179.6° |
| CBA | CAX | CAK | CAI | 178.9° | 180.0° |
| CBA | CAX | CAL | CAJ | 177.8° | 179.9° |
| CBA | CAX | CAL | H5 | 2.2° | 0.1° |
| CBA | CAX | CAK | H7 | 1.1° | 0.1° |
| CAX | CAK | CAI | H7 | 180.0° | 179.9° |
| CAK | CAX | CAL | CAJ | 2.2° | 0.3° |
| CAX | CAK | CAI | CAW | 0.6° | 0.1° |
| CAK | CAX | CAL | H5 | 177.8° | 179.7° |
| CAX | CAK | CAI | H6 | 179.4° | 180.0° |
| CAL | CAX | CAK | CAI | 1.0° | 0.4° |
| CAX | CAL | CAJ | H5 | 180.0° | 180.0° |
| CAX | CAL | CAJ | CAW | 2.9° | 0.0° |
| CAX | CAL | CAJ | H4 | 177.1° | 180.0° |
| CAL | CAX | CAK | H7 | 179.0° | 179.7° |
| CAK | CAI | CAW | H6 | 180.0° | 179.9° |
| CAK | CAI | CAW | CAJ | 1.2° | 0.2° |
| CAK | CAI | CAW | OAS | 180.0° | 179.9° |
| CAL | CAJ | CAW | CAI | 2.3° | 0.3° |
| CAL | CAJ | CAW | H4 | 180.0° | 180.0° |
| CAL | CAJ | CAW | OAS | 179.1° | 180.0° |
| CAI | CAW | CAJ | OAS | 178.6° | 179.7° |
| CAI | CAW | OAS | CAA | 161.2° | 0.3° |
| CAI | CAW | CAJ | H4 | 177.6° | 179.8° |
| CAW | CAI | CAK | H7 | 179.4° | 180.0° |
| CAJ | CAW | OAS | CAA | 17.4° | 180.0° |
| CAW | CAJ | CAL | H5 | 177.1° | 179.9° |
| CAJ | CAW | CAI | H6 | 178.8° | 179.7° |
| CAW | OAS | CAA | H1 | 180.0° | 60.1° |
| CAW | OAS | CAA | H2 | 60.0° | 180.0° |
| CAW | OAS | CAA | H3 | 60.0° | 60.0° |
| OAS | CAW | CAJ | H4 | 1.0° | 0.0° |
| OAS | CAW | CAI | H6 | 0.0° | 0.0° |
| OAS | CAA | H1 | H2 | 120.0° | 119.9° |
| OAS | CAA | H1 | H3 | 120.0° | 120.1° |
| OAS | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAJ | CAL | H5 | 2.9° | 0.0° |
| H6 | CAI | CAK | H7 | 0.6° | 0.1° |
| H10 | CBB | CAC | H11 | 61.5° | 173.2° |
| H10 | CBB | CAC | H12 | 178.5° | 53.3° |
| H10 | CBB | CAC | H13 | 58.5° | 66.8° |
| H10 | CBB | CAB | H14 | 63.2° | 65.6° |
| H10 | CBB | CAB | H15 | 176.8° | 54.3° |
| H10 | CBB | CAB | H16 | 56.8° | 174.3° |
| H11 | CAC | H12 | H13 | 120.0° | 120.1° |
| H14 | CAB | H15 | H16 | 120.0° | 120.0° |
| H19 | CAG | CAM | H20 | 0.9° | 0.1° |
| H21 | CAN | CAH | H22 | 0.5° | 0.1° |
