5BW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAT | CAU | doub | 1.38Å | 1.38Å | Aromatic |
| CAT | NAS | sing | 1.32Å | 1.39Å | Aromatic |
| CAF | CAE | doub | 1.40Å | 1.43Å | Aromatic |
| CAC | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.39Å | 1.38Å | Aromatic |
| NAS | CAR | doub | 1.32Å | 1.35Å | Aromatic |
| CAE | CAD | sing | 1.40Å | 1.41Å | Aromatic |
| CAE | CAG | sing | 1.48Å | 1.41Å | |
| CAD | OAJ | sing | 1.36Å | 1.37Å | |
| CAV | CAW | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAP | sing | 1.56Å | 1.54Å | |
| CAQ | NAL | sing | 1.50Å | 1.50Å | |
| CAR | CAW | sing | 1.39Å | 1.38Å | Aromatic |
| CAR | NAO | sing | 1.39Å | 1.34Å | |
| CAH | CAG | sing | 1.41Å | 1.51Å | |
| CAH | CAK | doub | 1.35Å | 1.49Å | |
| CAG | OAI | doub | 1.22Å | 1.24Å | |
| CAP | NAO | sing | 1.50Å | 1.43Å | |
| CAP | CAX | sing | 1.57Å | 1.52Å | |
| NAO | CAN | sing | 1.48Å | 1.46Å | |
| NAL | CAK | sing | 1.37Å | 1.32Å | |
| NAL | CAM | sing | 1.49Å | 1.48Å | |
| CAX | CAM | sing | 1.57Å | 1.47Å | |
| CAN | CAM | sing | 1.56Å | 1.49Å | |
| CAW | H1 | sing | 1.08Å | 1.08Å | |
| CAV | H2 | sing | 1.08Å | 1.08Å | |
| CAU | H3 | sing | 1.08Å | 1.08Å | |
| CAT | H4 | sing | 1.08Å | 1.08Å | |
| CAN | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAX | H8 | sing | 1.09Å | 1.10Å | |
| CAX | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAQ | H11 | sing | 1.09Å | 1.10Å | |
| CAQ | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.08Å | 1.08Å | |
| CAH | H14 | sing | 1.08Å | 1.08Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å | |
| CAA | H16 | sing | 1.08Å | 1.08Å | |
| CAB | H17 | sing | 1.08Å | 1.08Å | |
| CAC | H18 | sing | 1.08Å | 1.08Å | |
| OAJ | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAF | 120.9° | 120.3° |
| CAA | CAB | CAC | 120.2° | 120.4° |
| CAB | CAA | H16 | 119.5° | 119.9° |
| CAA | CAB | H17 | 119.9° | 119.8° |
| CAA | CAF | CAE | 120.9° | 119.9° |
| CAA | CAF | H15 | 119.5° | 120.0° |
| CAF | CAA | H16 | 119.6° | 119.8° |
| CAB | CAC | CAD | 119.0° | 120.1° |
| CAC | CAB | H17 | 119.9° | 119.8° |
| CAB | CAC | H18 | 120.5° | 119.9° |
| CAU | CAT | NAS | 121.1° | 120.9° |
| CAT | CAU | CAV | 120.0° | 119.3° |
| CAT | CAU | H3 | 120.0° | 120.3° |
| CAU | CAT | H4 | 119.5° | 119.6° |
| CAT | NAS | CAR | 118.5° | 121.6° |
| NAS | CAT | H4 | 119.5° | 119.5° |
| CAF | CAE | CAD | 116.1° | 119.7° |
| CAF | CAE | CAG | 124.4° | 120.2° |
| CAE | CAF | H15 | 119.5° | 120.0° |
| CAC | CAD | CAE | 122.8° | 119.7° |
| CAC | CAD | OAJ | 121.8° | 120.2° |
| CAD | CAC | H18 | 120.5° | 120.0° |
| CAU | CAV | CAW | 118.9° | 118.5° |
| CAU | CAV | H2 | 120.6° | 120.8° |
| CAV | CAU | H3 | 120.0° | 120.4° |
| NAS | CAR | CAW | 122.0° | 120.6° |
| NAS | CAR | NAO | 117.5° | 119.7° |
| CAD | CAE | CAG | 119.5° | 120.2° |
| CAE | CAD | OAJ | 115.3° | 120.2° |
| CAE | CAG | CAH | 117.2° | 120.0° |
| CAE | CAG | OAI | 125.7° | 120.0° |
| CAD | OAJ | H19 | 109.5° | 114.0° |
| CAV | CAW | CAR | 119.6° | 119.1° |
| CAV | CAW | H1 | 120.2° | 120.4° |
| CAW | CAV | H2 | 120.6° | 120.7° |
| CAP | CAQ | NAL | 96.9° | 105.3° |
| CAQ | CAP | NAO | 108.5° | 104.1° |
| CAQ | CAP | CAX | 100.7° | 99.6° |
| CAQ | CAP | H10 | 114.0° | 116.9° |
| CAP | CAQ | H11 | 112.5° | 110.3° |
| CAP | CAQ | H12 | 112.5° | 110.3° |
| CAQ | NAL | CAK | 120.3° | 126.9° |
| CAQ | NAL | CAM | 106.8° | 105.2° |
| NAL | CAQ | H11 | 112.5° | 110.5° |
| NAL | CAQ | H12 | 112.5° | 110.0° |
| CAW | CAR | NAO | 120.5° | 119.7° |
| CAR | CAW | H1 | 120.2° | 120.5° |
| CAR | NAO | CAP | 124.7° | 111.0° |
| CAR | NAO | CAN | 126.6° | 111.0° |
| CAG | CAH | CAK | 119.7° | 120.0° |
| CAH | CAG | OAI | 117.0° | 120.0° |
| CAG | CAH | H14 | 120.2° | 120.0° |
| CAH | CAK | NAL | 119.0° | 120.0° |
| CAH | CAK | H13 | 120.5° | 120.0° |
| CAK | CAH | H14 | 120.2° | 120.0° |
| NAO | CAP | CAX | 102.1° | 101.0° |
| CAP | NAO | CAN | 107.7° | 106.0° |
| NAO | CAP | H10 | 115.8° | 116.1° |
| CAP | CAX | CAM | 91.9° | 94.2° |
| CAP | CAX | H8 | 113.7° | 112.4° |
| CAP | CAX | H9 | 113.6° | 112.4° |
| CAX | CAP | H10 | 114.2° | 116.5° |
| NAO | CAN | CAM | 99.2° | 105.1° |
| NAO | CAN | H5 | 112.0° | 110.3° |
| NAO | CAN | H6 | 112.0° | 110.3° |
| CAK | NAL | CAM | 119.5° | 127.9° |
| NAL | CAK | H13 | 120.5° | 120.0° |
| NAL | CAM | CAX | 104.9° | 101.9° |
| NAL | CAM | CAN | 104.6° | 104.1° |
| NAL | CAM | H7 | 114.9° | 116.1° |
| CAX | CAM | CAN | 101.1° | 99.7° |
| CAX | CAM | H7 | 115.1° | 116.5° |
| CAM | CAX | H8 | 113.7° | 112.3° |
| CAM | CAX | H9 | 113.7° | 112.4° |
| CAM | CAN | H5 | 112.0° | 110.3° |
| CAM | CAN | H6 | 112.0° | 110.3° |
| CAN | CAM | H7 | 114.6° | 116.2° |
| H5 | CAN | H6 | 109.5° | 110.4° |
| H8 | CAX | H9 | 109.5° | 112.0° |
| H11 | CAQ | H12 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAF | H16 | 180.0° | 180.0° |
| CAA | CAB | CAC | H17 | 180.0° | 180.0° |
| CAB | CAA | CAF | CAE | 1.5° | 0.0° |
| CAA | CAB | CAC | CAD | 0.8° | 0.0° |
| CAB | CAA | CAF | H15 | 178.5° | 180.0° |
| CAA | CAB | CAC | H18 | 179.2° | 180.0° |
| CAF | CAA | CAB | CAC | 0.9° | 0.0° |
| CAA | CAF | CAE | H15 | 180.0° | 180.0° |
| CAA | CAF | CAE | CAD | 0.5° | 0.0° |
| CAA | CAF | CAE | CAG | 179.2° | 179.7° |
| CAF | CAA | CAB | H17 | 179.1° | 180.0° |
| CAB | CAC | CAD | H18 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 1.9° | 0.0° |
| CAB | CAC | CAD | OAJ | 176.1° | 179.7° |
| CAC | CAB | CAA | H16 | 179.1° | 180.0° |
| CAU | CAT | NAS | H4 | 180.0° | 180.0° |
| CAT | CAU | CAV | H3 | 180.0° | 179.9° |
| CAU | CAT | NAS | CAR | 0.5° | 0.2° |
| CAT | CAU | CAV | CAW | 1.5° | 0.0° |
| CAT | CAU | CAV | H2 | 178.5° | 179.9° |
| NAS | CAT | CAU | CAV | 0.9° | 0.1° |
| CAT | NAS | CAR | CAW | 1.2° | 0.5° |
| CAT | NAS | CAR | NAO | 178.4° | 180.0° |
| NAS | CAT | CAU | H3 | 179.1° | 180.0° |
| CAF | CAE | CAD | CAC | 1.3° | 0.0° |
| CAF | CAE | CAD | CAG | 178.8° | 179.8° |
| CAF | CAE | CAD | OAJ | 176.9° | 179.7° |
| CAF | CAE | CAG | CAH | 7.1° | 0.2° |
| CAF | CAE | CAG | OAI | 170.8° | 179.7° |
| CAE | CAF | CAA | H16 | 178.5° | 180.0° |
| CAC | CAD | CAE | OAJ | 178.2° | 179.7° |
| CAC | CAD | CAE | CAG | 177.6° | 179.7° |
| CAD | CAC | CAB | H17 | 179.2° | 180.0° |
| CAC | CAD | OAJ | H19 | 174.5° | 90.3° |
| CAU | CAV | CAW | H2 | 180.0° | 180.0° |
| CAU | CAV | CAW | CAR | 0.8° | 0.3° |
| CAU | CAV | CAW | H1 | 179.2° | 180.0° |
| CAV | CAU | CAT | H4 | 179.2° | 180.0° |
| NAS | CAR | CAW | CAV | 0.5° | 0.5° |
| NAS | CAR | CAW | NAO | 179.5° | 179.5° |
| NAS | CAR | NAO | CAP | 5.2° | 139.8° |
| NAS | CAR | NAO | CAN | 162.2° | 22.2° |
| NAS | CAR | CAW | H1 | 179.5° | 179.8° |
| CAR | NAS | CAT | H4 | 179.5° | 179.7° |
| CAD | CAE | CAG | CAH | 174.1° | 180.0° |
| CAD | CAE | CAG | OAI | 7.9° | 0.0° |
| CAD | CAE | CAF | H15 | 179.5° | 180.0° |
| CAE | CAD | CAC | H18 | 178.1° | 180.0° |
| CAE | CAD | OAJ | H19 | 7.3° | 90.0° |
| CAG | CAE | CAD | OAJ | 4.2° | 0.0° |
| CAE | CAG | CAH | OAI | 178.1° | 180.0° |
| CAE | CAG | CAH | CAK | 174.6° | 180.0° |
| CAE | CAG | CAH | H14 | 5.4° | 0.0° |
| CAG | CAE | CAF | H15 | 0.7° | 0.3° |
| OAJ | CAD | CAC | H18 | 3.9° | 0.3° |
| CAV | CAW | CAR | H1 | 180.0° | 179.7° |
| CAV | CAW | CAR | NAO | 179.0° | 180.0° |
| CAW | CAV | CAU | H3 | 178.5° | 180.0° |
| CAP | CAQ | NAL | H11 | 117.9° | 119.1° |
| CAP | CAQ | NAL | H12 | 117.9° | 118.9° |
| CAQ | CAP | NAO | CAR | 89.3° | 53.8° |
| CAQ | CAP | NAO | CAX | 105.7° | 103.0° |
| CAQ | CAP | NAO | H10 | 129.6° | 130.0° |
| CAQ | CAP | CAX | H10 | 122.5° | 126.7° |
| CAQ | CAP | NAO | CAN | 80.1° | 66.8° |
| CAP | CAQ | NAL | CAK | 156.8° | 178.1° |
| CAP | CAQ | NAL | CAM | 16.2° | 1.5° |
| CAQ | CAP | CAX | CAM | 60.6° | 51.9° |
| CAQ | CAP | CAX | H8 | 177.5° | 64.3° |
| CAQ | CAP | CAX | H9 | 56.3° | 168.3° |
| CAP | CAQ | H11 | H12 | 125.8° | 122.2° |
| CAQ | NAL | CAK | CAH | 29.2° | 0.1° |
| NAL | CAQ | CAP | NAO | 58.7° | 70.9° |
| NAL | CAQ | CAP | CAX | 48.1° | 33.1° |
| CAQ | NAL | CAK | CAM | 135.8° | 179.5° |
| CAQ | NAL | CAM | CAX | 22.1° | 35.8° |
| CAQ | NAL | CAM | CAN | 83.9° | 67.5° |
| CAQ | NAL | CAM | H7 | 149.5° | 163.4° |
| NAL | CAQ | CAP | H10 | 170.7° | 159.6° |
| NAL | CAQ | H11 | H12 | 125.9° | 121.9° |
| CAQ | NAL | CAK | H13 | 150.8° | 180.0° |
| CAW | CAR | NAO | CAP | 174.4° | 39.6° |
| CAW | CAR | NAO | CAN | 18.2° | 157.2° |
| CAR | CAW | CAV | H2 | 179.1° | 179.8° |
| CAR | NAO | CAP | CAN | 169.4° | 120.6° |
| CAR | NAO | CAP | CAX | 165.0° | 156.8° |
| CAR | NAO | CAN | CAM | 158.1° | 122.5° |
| NAO | CAR | CAW | H1 | 1.0° | 0.3° |
| CAR | NAO | CAN | H5 | 39.8° | 3.6° |
| CAR | NAO | CAN | H6 | 83.6° | 118.5° |
| CAR | NAO | CAP | H10 | 40.3° | 76.2° |
| CAG | CAH | CAK | H14 | 180.0° | 180.0° |
| CAG | CAH | CAK | NAL | 174.6° | 179.9° |
| CAG | CAH | CAK | H13 | 5.4° | 0.0° |
| CAK | CAH | CAG | OAI | 3.5° | 0.0° |
| CAH | CAK | NAL | H13 | 180.0° | 179.9° |
| CAH | CAK | NAL | CAM | 165.0° | 179.4° |
| OAI | CAG | CAH | H14 | 176.5° | 180.0° |
| NAO | CAP | CAX | H10 | 125.7° | 126.7° |
| NAO | CAP | CAX | CAM | 51.2° | 54.6° |
| CAP | NAO | CAN | CAM | 11.1° | 1.9° |
| CAP | NAO | CAN | H5 | 129.4° | 117.0° |
| CAP | NAO | CAN | H6 | 107.2° | 120.8° |
| NAO | CAP | CAX | H8 | 65.8° | 170.9° |
| NAO | CAP | CAX | H9 | 168.1° | 61.7° |
| NAO | CAP | CAQ | H11 | 176.6° | 169.9° |
| NAO | CAP | CAQ | H12 | 59.2° | 47.7° |
| CAX | CAP | NAO | CAN | 25.6° | 36.2° |
| CAP | CAX | CAM | NAL | 49.5° | 54.6° |
| CAP | CAX | CAM | H8 | 116.9° | 116.3° |
| CAP | CAX | CAM | H9 | 116.9° | 116.4° |
| CAP | CAX | CAM | CAN | 59.1° | 52.2° |
| CAP | CAX | CAM | H7 | 176.8° | 178.0° |
| CAP | CAX | H8 | H9 | 128.3° | 127.6° |
| CAX | CAP | CAQ | H11 | 69.8° | 86.1° |
| CAX | CAP | CAQ | H12 | 166.0° | 151.7° |
| NAO | CAN | CAM | NAL | 63.1° | 72.0° |
| NAO | CAN | CAM | CAX | 45.7° | 32.9° |
| NAO | CAN | CAM | H5 | 118.3° | 118.9° |
| NAO | CAN | CAM | H6 | 118.3° | 118.9° |
| NAO | CAN | H5 | H6 | 124.8° | 122.2° |
| NAO | CAN | CAM | H7 | 170.1° | 158.9° |
| CAN | NAO | CAP | H10 | 150.3° | 163.2° |
| CAK | NAL | CAM | CAX | 118.9° | 143.8° |
| CAK | NAL | CAM | CAN | 135.0° | 113.0° |
| CAK | NAL | CAM | H7 | 8.5° | 16.1° |
| CAK | NAL | CAQ | H11 | 38.9° | 59.1° |
| CAK | NAL | CAQ | H12 | 85.3° | 63.0° |
| NAL | CAK | CAH | H14 | 5.4° | 0.0° |
| NAL | CAM | CAX | CAN | 108.6° | 106.8° |
| NAL | CAM | CAX | H7 | 127.3° | 127.4° |
| NAL | CAM | CAN | H7 | 126.7° | 129.0° |
| NAL | CAM | CAN | H5 | 55.2° | 46.8° |
| NAL | CAM | CAN | H6 | 178.6° | 169.0° |
| NAL | CAM | CAX | H8 | 166.4° | 61.7° |
| NAL | CAM | CAX | H9 | 67.4° | 171.0° |
| CAM | NAL | CAQ | H11 | 101.7° | 120.5° |
| CAM | NAL | CAQ | H12 | 134.1° | 117.4° |
| CAM | NAL | CAK | H13 | 15.0° | 0.6° |
| CAX | CAM | CAN | H7 | 124.5° | 126.0° |
| CAX | CAM | CAN | H5 | 164.0° | 151.8° |
| CAX | CAM | CAN | H6 | 72.6° | 86.0° |
| CAM | CAX | H8 | H9 | 128.3° | 127.6° |
| CAM | CAX | CAP | H10 | 176.9° | 178.7° |
| CAM | CAN | H5 | H6 | 124.8° | 122.2° |
| CAN | CAM | CAX | H8 | 57.9° | 168.5° |
| CAN | CAM | CAX | H9 | 176.0° | 64.2° |
| H1 | CAW | CAV | H2 | 0.9° | 0.1° |
| H2 | CAV | CAU | H3 | 1.5° | 0.0° |
| H3 | CAU | CAT | H4 | 0.8° | 0.1° |
| H5 | CAN | CAM | H7 | 71.5° | 82.2° |
| H6 | CAN | CAM | H7 | 51.9° | 40.0° |
| H7 | CAM | CAX | H8 | 66.3° | 65.7° |
| H7 | CAM | CAX | H9 | 59.8° | 61.6° |
| H8 | CAX | CAP | H10 | 60.0° | 62.4° |
| H9 | CAX | CAP | H10 | 66.1° | 65.0° |
| H10 | CAP | CAQ | H11 | 52.8° | 40.4° |
| H10 | CAP | CAQ | H12 | 71.4° | 81.8° |
| H13 | CAK | CAH | H14 | 174.6° | 180.0° |
| H15 | CAF | CAA | H16 | 1.5° | 0.0° |
| H16 | CAA | CAB | H17 | 0.9° | 0.0° |
| H17 | CAB | CAC | H18 | 0.8° | 0.0° |
