3FV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | CAB | sing | 1.74Å | 1.74Å | |
| OAH | CAG | doub | 1.22Å | 1.26Å | |
| CAB | CAC | doub | 1.36Å | 1.33Å | Aromatic |
| CAB | CAF | sing | 1.42Å | 1.39Å | Aromatic |
| CAC | NAD | sing | 1.36Å | 1.34Å | Aromatic |
| CAG | CAF | sing | 1.48Å | 1.54Å | |
| CAG | NAO | sing | 1.35Å | 1.35Å | |
| CAF | NAE | doub | 1.32Å | 1.35Å | Aromatic |
| CAT | NAS | sing | 1.36Å | 1.36Å | Aromatic |
| CAT | CAP | doub | 1.36Å | 1.35Å | Aromatic |
| NAS | NAR | sing | 1.40Å | 1.17Å | Aromatic |
| NAO | CAP | sing | 1.41Å | 1.38Å | |
| NAD | NAE | sing | 1.28Å | 1.15Å | Aromatic |
| NAD | CAI | sing | 1.46Å | 1.47Å | |
| CAP | CAQ | sing | 1.41Å | 1.39Å | Aromatic |
| NAR | CAQ | doub | 1.32Å | 1.33Å | Aromatic |
| CAI | CAJ | sing | 1.53Å | 1.50Å | |
| CAI | CAN | sing | 1.53Å | 1.53Å | |
| CAQ | CAU | sing | 1.48Å | 1.43Å | |
| CAJ | CAK | sing | 1.53Å | 1.56Å | |
| CAN | CAM | sing | 1.53Å | 1.54Å | |
| CAU | NAV | doub | 1.33Å | 1.34Å | Aromatic |
| CAU | CAZ | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | NAL | sing | 1.47Å | 1.47Å | |
| NAV | CAW | sing | 1.32Å | 1.34Å | Aromatic |
| CAM | NAL | sing | 1.47Å | 1.48Å | |
| CAZ | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| NAL | H5 | sing | 1.01Å | 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 | |
| CAI | H11 | sing | 1.09Å | 1.10Å | |
| CAC | H12 | sing | 1.08Å | 1.08Å | |
| NAO | H13 | sing | 0.97Å | 1.00Å | |
| CAT | H14 | sing | 1.08Å | 1.08Å | |
| NAS | H15 | sing | 0.97Å | 1.00Å | |
| CAW | H16 | sing | 1.08Å | 1.08Å | |
| CAX | H17 | sing | 1.08Å | 1.08Å | |
| CAY | H18 | sing | 1.08Å | 1.08Å | |
| CAZ | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | CAB | CAC | 124.4° | 127.2° |
| CL | CAB | CAF | 131.6° | 127.3° |
| OAH | CAG | CAF | 121.4° | 120.0° |
| OAH | CAG | NAO | 125.8° | 120.0° |
| CAC | CAB | CAF | 103.9° | 105.5° |
| CAB | CAC | NAD | 106.8° | 107.1° |
| CAB | CAC | H12 | 126.6° | 126.4° |
| CAB | CAF | CAG | 127.6° | 126.4° |
| CAB | CAF | NAE | 105.7° | 107.1° |
| CAC | NAD | NAE | 113.1° | 110.1° |
| CAC | NAD | CAI | 121.7° | 124.9° |
| NAD | CAC | H12 | 126.6° | 126.5° |
| CAF | CAG | NAO | 112.6° | 120.0° |
| CAG | CAF | NAE | 126.6° | 126.5° |
| CAG | NAO | CAP | 126.0° | 120.0° |
| CAG | NAO | H13 | 117.0° | 120.1° |
| CAF | NAE | NAD | 110.4° | 110.2° |
| NAS | CAT | CAP | 106.9° | 107.8° |
| CAT | NAS | NAR | 111.7° | 108.2° |
| NAS | CAT | H14 | 126.6° | 126.1° |
| CAT | NAS | H15 | 124.1° | 125.9° |
| CAT | CAP | NAO | 130.2° | 126.1° |
| CAT | CAP | CAQ | 103.1° | 107.7° |
| CAP | CAT | H14 | 126.6° | 126.1° |
| NAS | NAR | CAQ | 110.6° | 108.2° |
| NAR | NAS | H15 | 124.1° | 125.9° |
| NAO | CAP | CAQ | 126.5° | 126.1° |
| CAP | NAO | H13 | 117.0° | 120.0° |
| NAE | NAD | CAI | 125.1° | 125.0° |
| NAD | CAI | CAJ | 108.3° | 109.5° |
| NAD | CAI | CAN | 111.9° | 109.6° |
| NAD | CAI | H11 | 109.2° | 109.6° |
| CAP | CAQ | NAR | 107.5° | 108.1° |
| CAP | CAQ | CAU | 124.3° | 125.9° |
| NAR | CAQ | CAU | 127.6° | 126.0° |
| CAJ | CAI | CAN | 110.2° | 109.2° |
| CAI | CAJ | CAK | 108.2° | 109.3° |
| CAI | CAJ | H1 | 109.8° | 109.6° |
| CAI | CAJ | H2 | 109.8° | 109.6° |
| CAJ | CAI | H11 | 108.8° | 109.5° |
| CAI | CAN | CAM | 107.3° | 109.3° |
| CAI | CAN | H9 | 110.0° | 109.5° |
| CAI | CAN | H10 | 110.0° | 109.5° |
| CAN | CAI | H11 | 108.4° | 109.5° |
| CAQ | CAU | NAV | 120.1° | 119.7° |
| CAQ | CAU | CAZ | 119.1° | 119.7° |
| CAJ | CAK | NAL | 105.5° | 109.5° |
| CAK | CAJ | H1 | 109.8° | 109.5° |
| CAK | CAJ | H2 | 109.8° | 109.5° |
| CAJ | CAK | H3 | 110.4° | 109.4° |
| CAJ | CAK | H4 | 110.5° | 109.5° |
| CAN | CAM | NAL | 110.2° | 109.5° |
| CAN | CAM | H7 | 109.3° | 109.4° |
| CAN | CAM | H8 | 109.3° | 109.4° |
| CAM | CAN | H9 | 110.0° | 109.5° |
| CAM | CAN | H10 | 110.0° | 109.5° |
| NAV | CAU | CAZ | 120.8° | 120.6° |
| CAU | NAV | CAW | 122.2° | 121.6° |
| CAU | CAZ | CAY | 118.5° | 119.1° |
| CAU | CAZ | H19 | 120.7° | 120.5° |
| CAK | NAL | CAM | 113.2° | 111.2° |
| NAL | CAK | H3 | 110.4° | 109.5° |
| NAL | CAK | H4 | 110.4° | 109.5° |
| CAK | NAL | H5 | 108.5° | 111.0° |
| NAV | CAW | CAX | 119.6° | 120.9° |
| NAV | CAW | H16 | 120.2° | 119.5° |
| CAM | NAL | H5 | 108.5° | 111.0° |
| NAL | CAM | H7 | 109.3° | 109.5° |
| NAL | CAM | H8 | 109.3° | 109.4° |
| CAZ | CAY | CAX | 119.5° | 118.5° |
| CAZ | CAY | H18 | 120.3° | 120.7° |
| CAY | CAZ | H19 | 120.8° | 120.5° |
| CAW | CAX | CAY | 119.4° | 119.4° |
| CAX | CAW | H16 | 120.2° | 119.5° |
| CAW | CAX | H17 | 120.3° | 120.3° |
| CAY | CAX | H17 | 120.3° | 120.3° |
| CAX | CAY | H18 | 120.3° | 120.8° |
| H1 | CAJ | H2 | 109.5° | 109.4° |
| H3 | CAK | H4 | 109.5° | 109.5° |
| H7 | CAM | H8 | 109.4° | 109.5° |
| H9 | CAN | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | CAB | CAC | CAF | 179.5° | 179.8° |
| CL | CAB | CAC | NAD | 179.7° | 180.0° |
| CL | CAB | CAF | CAG | 2.7° | 0.2° |
| CL | CAB | CAF | NAE | 178.8° | 179.9° |
| CL | CAB | CAC | H12 | 0.3° | 0.0° |
| OAH | CAG | CAF | CAB | 11.7° | 0.0° |
| OAH | CAG | CAF | NAO | 175.4° | 180.0° |
| OAH | CAG | CAF | NAE | 163.6° | 179.7° |
| OAH | CAG | NAO | CAP | 4.9° | 0.0° |
| OAH | CAG | NAO | H13 | 175.1° | 180.0° |
| CAB | CAC | NAD | H12 | 180.0° | 179.9° |
| CAC | CAB | CAF | CAG | 177.8° | 180.0° |
| CAC | CAB | CAF | NAE | 1.7° | 0.3° |
| CAB | CAC | NAD | NAE | 0.7° | 0.0° |
| CAB | CAC | NAD | CAI | 179.0° | 179.7° |
| CAF | CAB | CAC | NAD | 0.7° | 0.2° |
| CAB | CAF | CAG | NAE | 175.3° | 179.7° |
| CAB | CAF | CAG | NAO | 172.9° | 180.0° |
| CAB | CAF | NAE | NAD | 2.2° | 0.3° |
| CAF | CAB | CAC | H12 | 179.3° | 179.8° |
| CAC | NAD | NAE | CAF | 1.8° | 0.2° |
| CAC | NAD | NAE | CAI | 178.3° | 179.7° |
| CAC | NAD | CAI | CAJ | 131.1° | 84.7° |
| CAC | NAD | CAI | CAN | 107.3° | 35.0° |
| CAC | NAD | CAI | H11 | 12.8° | 155.1° |
| CAF | CAG | NAO | CAP | 180.0° | 180.0° |
| CAG | CAF | NAE | NAD | 178.4° | 180.0° |
| CAF | CAG | NAO | H13 | 0.0° | 0.0° |
| NAO | CAG | CAF | NAE | 11.8° | 0.4° |
| CAG | NAO | CAP | CAT | 6.8° | 0.3° |
| CAG | NAO | CAP | H13 | 180.0° | 180.0° |
| CAG | NAO | CAP | CAQ | 178.4° | 180.0° |
| CAF | NAE | NAD | CAI | 179.9° | 179.9° |
| NAS | CAT | CAP | H14 | 180.0° | 180.0° |
| CAT | NAS | NAR | H15 | 180.0° | 179.9° |
| NAS | CAT | CAP | NAO | 178.3° | 180.0° |
| NAS | CAT | CAP | CAQ | 2.7° | 0.2° |
| CAT | NAS | NAR | CAQ | 2.8° | 0.3° |
| CAP | CAT | NAS | NAR | 0.1° | 0.0° |
| CAT | CAP | NAO | CAQ | 174.7° | 179.7° |
| CAT | CAP | CAQ | NAR | 4.2° | 0.4° |
| CAT | CAP | CAQ | CAU | 176.3° | 179.8° |
| CAT | CAP | NAO | H13 | 173.1° | 179.7° |
| CAP | CAT | NAS | H15 | 179.9° | 180.0° |
| NAS | NAR | CAQ | CAP | 4.5° | 0.4° |
| NAS | NAR | CAQ | CAU | 176.2° | 179.8° |
| NAR | NAS | CAT | H14 | 179.9° | 180.0° |
| NAO | CAP | CAQ | NAR | 179.9° | 179.8° |
| NAO | CAP | CAQ | CAU | 7.9° | 0.1° |
| NAO | CAP | CAT | H14 | 1.7° | 0.0° |
| NAE | NAD | CAI | CAJ | 47.0° | 94.9° |
| NAE | NAD | CAI | CAN | 74.6° | 145.3° |
| NAE | NAD | CAI | H11 | 165.3° | 25.2° |
| NAE | NAD | CAC | H12 | 179.3° | 180.0° |
| NAD | CAI | CAJ | CAN | 122.7° | 120.0° |
| NAD | CAI | CAJ | H11 | 118.5° | 120.2° |
| NAD | CAI | CAN | H11 | 120.5° | 120.2° |
| NAD | CAI | CAJ | CAK | 173.2° | 177.6° |
| NAD | CAI | CAN | CAM | 179.6° | 177.6° |
| NAD | CAI | CAJ | H1 | 67.0° | 62.4° |
| NAD | CAI | CAJ | H2 | 53.4° | 57.6° |
| NAD | CAI | CAN | H9 | 60.7° | 57.6° |
| NAD | CAI | CAN | H10 | 59.9° | 62.4° |
| CAI | NAD | CAC | H12 | 1.0° | 0.3° |
| CAP | CAQ | NAR | CAU | 171.7° | 179.8° |
| CAP | CAQ | CAU | NAV | 8.7° | 25.0° |
| CAP | CAQ | CAU | CAZ | 169.1° | 154.7° |
| CAQ | CAP | NAO | H13 | 1.6° | 0.0° |
| CAQ | CAP | CAT | H14 | 177.4° | 179.7° |
| NAR | CAQ | CAU | NAV | 179.1° | 155.2° |
| NAR | CAQ | CAU | CAZ | 1.3° | 25.0° |
| CAQ | NAR | NAS | H15 | 177.2° | 179.8° |
| CAJ | CAI | CAN | H11 | 118.9° | 119.9° |
| CAI | CAJ | CAK | H1 | 119.8° | 120.0° |
| CAI | CAJ | CAK | H2 | 119.8° | 120.0° |
| CAJ | CAI | CAN | CAM | 59.0° | 57.6° |
| CAI | CAJ | CAK | NAL | 62.9° | 59.2° |
| CAI | CAJ | H1 | H2 | 120.6° | 120.2° |
| CAI | CAJ | CAK | H3 | 177.8° | 179.2° |
| CAI | CAJ | CAK | H4 | 56.5° | 60.9° |
| CAJ | CAI | CAN | H9 | 178.7° | 62.3° |
| CAJ | CAI | CAN | H10 | 60.6° | 177.6° |
| CAN | CAI | CAJ | CAK | 64.1° | 57.6° |
| CAI | CAN | CAM | H9 | 119.7° | 119.9° |
| CAI | CAN | CAM | H10 | 119.7° | 120.0° |
| CAI | CAN | CAM | NAL | 55.5° | 59.1° |
| CAN | CAI | CAJ | H1 | 55.8° | 177.6° |
| CAN | CAI | CAJ | H2 | 176.1° | 62.4° |
| CAI | CAN | CAM | H7 | 64.7° | 179.1° |
| CAI | CAN | CAM | H8 | 175.6° | 60.8° |
| CAI | CAN | H9 | H10 | 121.0° | 120.1° |
| CAQ | CAU | NAV | CAZ | 177.8° | 179.7° |
| CAQ | CAU | NAV | CAW | 176.7° | 180.0° |
| CAQ | CAU | CAZ | CAY | 177.7° | 179.7° |
| CAQ | CAU | CAZ | H19 | 2.3° | 0.0° |
| CAJ | CAK | NAL | H3 | 119.4° | 120.0° |
| CAJ | CAK | NAL | H4 | 119.4° | 120.0° |
| CAJ | CAK | NAL | CAM | 62.5° | 61.8° |
| CAK | CAJ | H1 | H2 | 120.6° | 120.0° |
| CAJ | CAK | H3 | H4 | 121.9° | 120.0° |
| CAJ | CAK | NAL | H5 | 58.0° | 62.3° |
| CAK | CAJ | CAI | H11 | 54.7° | 62.2° |
| CAN | CAM | NAL | CAK | 60.8° | 61.8° |
| CAN | CAM | NAL | H7 | 120.1° | 120.0° |
| CAN | CAM | NAL | H8 | 120.1° | 120.0° |
| CAN | CAM | NAL | H5 | 59.8° | 62.3° |
| CAN | CAM | H7 | H8 | 119.7° | 120.0° |
| CAM | CAN | H9 | H10 | 121.0° | 120.1° |
| CAM | CAN | CAI | H11 | 59.9° | 62.3° |
| NAV | CAU | CAZ | CAY | 0.1° | 0.5° |
| CAU | NAV | CAW | CAX | 0.8° | 0.1° |
| CAU | NAV | CAW | H16 | 179.2° | 180.0° |
| NAV | CAU | CAZ | H19 | 179.9° | 179.7° |
| CAZ | CAU | NAV | CAW | 1.0° | 0.3° |
| CAU | CAZ | CAY | H19 | 180.0° | 179.8° |
| CAU | CAZ | CAY | CAX | 1.0° | 0.5° |
| CAU | CAZ | CAY | H18 | 179.0° | 179.7° |
| CAK | NAL | CAM | H5 | 120.5° | 124.1° |
| NAL | CAK | CAJ | H1 | 56.9° | 179.2° |
| NAL | CAK | CAJ | H2 | 177.3° | 60.8° |
| NAL | CAK | H3 | H4 | 121.8° | 120.0° |
| CAK | NAL | CAM | H7 | 59.4° | 178.3° |
| CAK | NAL | CAM | H8 | 179.1° | 58.2° |
| NAV | CAW | CAX | H16 | 180.0° | 180.0° |
| NAV | CAW | CAX | CAY | 0.3° | 0.1° |
| NAV | CAW | CAX | H17 | 179.7° | 180.0° |
| CAM | NAL | CAK | H3 | 178.1° | 178.3° |
| CAM | NAL | CAK | H4 | 56.9° | 58.3° |
| NAL | CAM | H7 | H8 | 119.6° | 120.0° |
| NAL | CAM | CAN | H9 | 175.1° | 60.8° |
| NAL | CAM | CAN | H10 | 64.2° | 179.2° |
| CAZ | CAY | CAX | CAW | 1.2° | 0.3° |
| CAZ | CAY | CAX | H18 | 180.0° | 179.7° |
| CAZ | CAY | CAX | H17 | 178.8° | 179.8° |
| CAW | CAX | CAY | H17 | 180.0° | 179.9° |
| CAW | CAX | CAY | H18 | 178.8° | 179.9° |
| CAY | CAX | CAW | H16 | 179.7° | 180.0° |
| CAX | CAY | CAZ | H19 | 179.0° | 179.7° |
| H1 | CAJ | CAK | H3 | 62.4° | 60.8° |
| H1 | CAJ | CAK | H4 | 176.3° | 59.2° |
| H1 | CAJ | CAI | H11 | 174.5° | 57.7° |
| H2 | CAJ | CAK | H3 | 58.0° | 59.2° |
| H2 | CAJ | CAK | H4 | 63.3° | 179.1° |
| H2 | CAJ | CAI | H11 | 65.1° | 177.8° |
| H3 | CAK | NAL | H5 | 61.3° | 57.7° |
| H4 | CAK | NAL | H5 | 177.4° | 177.7° |
| H5 | NAL | CAM | H7 | 179.9° | 57.6° |
| H5 | NAL | CAM | H8 | 60.4° | 177.7° |
| H7 | CAM | CAN | H9 | 55.0° | 59.2° |
| H7 | CAM | CAN | H10 | 175.7° | 60.9° |
| H8 | CAM | CAN | H9 | 64.8° | 179.2° |
| H8 | CAM | CAN | H10 | 55.9° | 59.2° |
| H9 | CAN | CAI | H11 | 59.8° | 177.8° |
| H10 | CAN | CAI | H11 | 179.6° | 57.8° |
| H14 | CAT | NAS | H15 | 0.1° | 0.1° |
| H16 | CAW | CAX | H17 | 0.3° | 0.1° |
| H17 | CAX | CAY | H18 | 1.2° | 0.1° |
| H18 | CAY | CAZ | H19 | 1.0° | 0.0° |
