9BL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAQ | sing | 1.51Å | 1.54Å | |
| OAG | CAU | sing | 1.36Å | 1.36Å | |
| CAQ | CAN | sing | 1.51Å | 1.54Å | |
| CAQ | CAL | doub | 1.31Å | 1.39Å | |
| CAN | CAM | sing | 1.53Å | 1.52Å | |
| CLA | CAW | sing | 1.74Å | 1.73Å | |
| CAM | CAK | sing | 1.51Å | 1.39Å | |
| CAU | CAW | doub | 1.39Å | 1.40Å | Aromatic |
| CAU | CAY | sing | 1.39Å | 1.40Å | Aromatic |
| CAC | CAR | sing | 1.51Å | 1.54Å | |
| CAO | CAL | sing | 1.51Å | 1.42Å | |
| CAO | CAY | sing | 1.51Å | 1.54Å | |
| CAW | CAT | sing | 1.37Å | 1.39Å | Aromatic |
| CAY | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAR | doub | 1.33Å | 1.40Å | |
| CAR | CAS | sing | 1.47Å | 1.52Å | |
| CAT | CAD | sing | 1.51Å | 1.55Å | |
| CAT | CAX | doub | 1.40Å | 1.40Å | Aromatic |
| CAV | CAX | sing | 1.41Å | 1.40Å | Aromatic |
| CAV | OAH | sing | 1.36Å | 1.36Å | |
| CAS | OAF | doub | 1.22Å | 1.23Å | |
| CAS | OAP | sing | 1.35Å | 1.36Å | |
| CAX | CAJ | sing | 1.46Å | 1.53Å | |
| OAP | CAA | sing | 1.45Å | 1.45Å | |
| CAJ | OAE | doub | 1.21Å | 1.23Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAB | H12 | sing | 1.09Å | 1.10Å | |
| CAB | H13 | sing | 1.09Å | 1.10Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| CAL | H15 | sing | 1.08Å | 1.08Å | |
| CAO | H16 | sing | 1.09Å | 1.10Å | |
| CAO | H17 | sing | 1.09Å | 1.10Å | |
| OAH | H18 | sing | 0.97Å | 0.95Å | |
| CAJ | H19 | sing | 1.08Å | 1.08Å | |
| CAD | H20 | sing | 1.09Å | 1.10Å | |
| CAD | H21 | sing | 1.09Å | 1.10Å | |
| CAD | H22 | sing | 1.09Å | 1.10Å | |
| OAG | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAQ | CAN | 119.6° | 120.0° |
| CAB | CAQ | CAL | 121.7° | 120.0° |
| CAQ | CAB | H12 | 109.5° | 109.5° |
| CAQ | CAB | H13 | 109.5° | 109.5° |
| CAQ | CAB | H14 | 109.5° | 109.4° |
| OAG | CAU | CAW | 118.9° | 119.8° |
| OAG | CAU | CAY | 119.6° | 119.9° |
| CAU | OAG | H23 | 109.5° | 114.0° |
| CAN | CAQ | CAL | 118.7° | 120.0° |
| CAQ | CAN | CAM | 110.8° | 109.5° |
| CAQ | CAN | H10 | 109.2° | 109.5° |
| CAQ | CAN | H11 | 109.1° | 109.4° |
| CAQ | CAL | CAO | 125.7° | 120.0° |
| CAQ | CAL | H15 | 117.2° | 120.0° |
| CAN | CAM | CAK | 113.4° | 109.5° |
| CAN | CAM | H8 | 108.5° | 109.5° |
| CAN | CAM | H9 | 108.5° | 109.5° |
| CAM | CAN | H10 | 109.1° | 109.5° |
| CAM | CAN | H11 | 109.1° | 109.5° |
| CLA | CAW | CAU | 119.0° | 119.8° |
| CLA | CAW | CAT | 119.6° | 119.8° |
| CAM | CAK | CAR | 127.2° | 120.0° |
| CAM | CAK | H7 | 116.4° | 120.0° |
| CAK | CAM | H8 | 108.5° | 109.4° |
| CAK | CAM | H9 | 108.5° | 109.5° |
| CAW | CAU | CAY | 121.4° | 120.3° |
| CAU | CAW | CAT | 121.4° | 120.4° |
| CAU | CAY | CAO | 122.3° | 120.0° |
| CAU | CAY | CAV | 116.7° | 120.0° |
| CAC | CAR | CAK | 123.1° | 120.0° |
| CAC | CAR | CAS | 117.6° | 120.0° |
| CAR | CAC | H4 | 109.5° | 109.5° |
| CAR | CAC | H5 | 109.5° | 109.4° |
| CAR | CAC | H6 | 109.4° | 109.5° |
| CAL | CAO | CAY | 112.8° | 109.5° |
| CAO | CAL | H15 | 117.2° | 120.0° |
| CAL | CAO | H16 | 108.6° | 109.4° |
| CAL | CAO | H17 | 108.6° | 109.5° |
| CAO | CAY | CAV | 121.0° | 120.0° |
| CAY | CAO | H16 | 108.6° | 109.5° |
| CAY | CAO | H17 | 108.6° | 109.5° |
| CAW | CAT | CAD | 119.6° | 120.0° |
| CAW | CAT | CAX | 117.8° | 120.0° |
| CAY | CAV | CAX | 122.4° | 119.6° |
| CAY | CAV | OAH | 117.3° | 120.2° |
| CAK | CAR | CAS | 119.3° | 120.0° |
| CAR | CAK | H7 | 116.4° | 120.0° |
| CAR | CAS | OAF | 120.3° | 120.0° |
| CAR | CAS | OAP | 117.9° | 120.0° |
| CAD | CAT | CAX | 122.6° | 120.0° |
| CAT | CAD | H20 | 109.5° | 109.5° |
| CAT | CAD | H21 | 109.5° | 109.4° |
| CAT | CAD | H22 | 109.5° | 109.4° |
| CAT | CAX | CAV | 120.2° | 119.7° |
| CAT | CAX | CAJ | 121.4° | 120.2° |
| CAX | CAV | OAH | 120.2° | 120.2° |
| CAV | CAX | CAJ | 118.4° | 120.2° |
| CAV | OAH | H18 | 109.5° | 114.0° |
| OAF | CAS | OAP | 121.8° | 120.0° |
| CAS | OAP | CAA | 117.6° | 117.0° |
| CAX | CAJ | OAE | 119.4° | 120.0° |
| CAX | CAJ | H19 | 120.3° | 120.1° |
| OAP | CAA | H1 | 109.5° | 109.5° |
| OAP | CAA | H2 | 109.5° | 109.5° |
| OAP | CAA | H3 | 109.4° | 109.4° |
| OAE | CAJ | H19 | 120.3° | 119.9° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAC | H5 | 109.5° | 109.5° |
| H4 | CAC | H6 | 109.5° | 109.5° |
| H5 | CAC | H6 | 109.5° | 109.4° |
| H8 | CAM | H9 | 109.5° | 109.4° |
| H10 | CAN | H11 | 109.5° | 109.4° |
| H12 | CAB | H13 | 109.5° | 109.5° |
| H12 | CAB | H14 | 109.5° | 109.4° |
| H13 | CAB | H14 | 109.5° | 109.5° |
| H16 | CAO | H17 | 109.5° | 109.4° |
| H20 | CAD | H21 | 109.4° | 109.5° |
| H20 | CAD | H22 | 109.5° | 109.5° |
| H21 | CAD | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAQ | CAN | CAL | 179.2° | 179.9° |
| CAB | CAQ | CAN | CAM | 63.0° | 85.0° |
| CAB | CAQ | CAL | CAO | 0.8° | 5.0° |
| CAB | CAQ | CAN | H10 | 176.8° | 155.0° |
| CAB | CAQ | CAN | H11 | 57.2° | 35.1° |
| CAQ | CAB | H12 | H13 | 120.0° | 120.1° |
| CAQ | CAB | H12 | H14 | 120.0° | 119.9° |
| CAQ | CAB | H13 | H14 | 120.0° | 119.9° |
| CAB | CAQ | CAL | H15 | 179.2° | 175.0° |
| OAG | CAU | CAW | CLA | 0.0° | 0.2° |
| OAG | CAU | CAW | CAY | 178.7° | 179.6° |
| OAG | CAU | CAY | CAO | 0.2° | 0.2° |
| OAG | CAU | CAW | CAT | 179.1° | 180.0° |
| OAG | CAU | CAY | CAV | 179.7° | 180.0° |
| CAQ | CAN | CAM | H10 | 120.2° | 120.0° |
| CAQ | CAN | CAM | H11 | 120.2° | 120.0° |
| CAQ | CAN | CAM | CAK | 77.1° | 180.0° |
| CAN | CAQ | CAL | CAO | 180.0° | 175.1° |
| CAQ | CAN | CAM | H8 | 162.3° | 60.0° |
| CAQ | CAN | CAM | H9 | 43.5° | 59.9° |
| CAQ | CAN | H10 | H11 | 119.4° | 119.9° |
| CAN | CAQ | CAB | H12 | 180.0° | 4.7° |
| CAN | CAQ | CAB | H13 | 60.0° | 124.7° |
| CAN | CAQ | CAB | H14 | 60.0° | 115.3° |
| CAN | CAQ | CAL | H15 | 0.0° | 5.0° |
| CAL | CAQ | CAN | CAM | 116.2° | 94.9° |
| CAQ | CAL | CAO | H15 | 180.0° | 180.0° |
| CAQ | CAL | CAO | CAY | 144.8° | 126.1° |
| CAL | CAQ | CAN | H10 | 4.0° | 25.0° |
| CAL | CAQ | CAN | H11 | 123.6° | 145.0° |
| CAL | CAQ | CAB | H12 | 0.8° | 175.2° |
| CAL | CAQ | CAB | H13 | 119.2° | 55.2° |
| CAL | CAQ | CAB | H14 | 120.8° | 64.8° |
| CAQ | CAL | CAO | H16 | 94.7° | 113.8° |
| CAQ | CAL | CAO | H17 | 24.3° | 6.1° |
| CAN | CAM | CAK | H8 | 120.6° | 120.0° |
| CAN | CAM | CAK | H9 | 120.6° | 120.1° |
| CAN | CAM | CAK | CAR | 156.5° | 125.6° |
| CAN | CAM | CAK | H7 | 23.5° | 54.3° |
| CAN | CAM | H8 | H9 | 118.2° | 120.0° |
| CAM | CAN | H10 | H11 | 119.3° | 120.0° |
| CLA | CAW | CAU | CAT | 179.1° | 179.8° |
| CLA | CAW | CAU | CAY | 178.8° | 179.8° |
| CLA | CAW | CAT | CAD | 0.5° | 0.1° |
| CLA | CAW | CAT | CAX | 179.2° | 180.0° |
| CAM | CAK | CAR | CAC | 1.0° | 5.5° |
| CAM | CAK | CAR | H7 | 180.0° | 179.9° |
| CAM | CAK | CAR | CAS | 178.6° | 174.6° |
| CAK | CAM | H8 | H9 | 118.2° | 120.0° |
| CAK | CAM | CAN | H10 | 43.1° | 60.0° |
| CAK | CAM | CAN | H11 | 162.6° | 59.9° |
| CAW | CAU | CAY | CAO | 178.9° | 179.7° |
| CAW | CAU | CAY | CAV | 1.6° | 0.4° |
| CAU | CAW | CAT | CAD | 179.6° | 179.7° |
| CAU | CAW | CAT | CAX | 1.7° | 0.2° |
| CAW | CAU | OAG | H23 | 180.0° | 90.0° |
| CAU | CAY | CAO | CAL | 114.4° | 90.3° |
| CAU | CAY | CAO | CAV | 179.4° | 179.8° |
| CAY | CAU | CAW | CAT | 2.1° | 0.4° |
| CAU | CAY | CAV | CAX | 0.8° | 0.2° |
| CAU | CAY | CAV | OAH | 178.9° | 179.8° |
| CAU | CAY | CAO | H16 | 125.1° | 149.8° |
| CAU | CAY | CAO | H17 | 6.1° | 29.8° |
| CAY | CAU | OAG | H23 | 1.2° | 90.5° |
| CAC | CAR | CAK | CAS | 179.6° | 179.9° |
| CAC | CAR | CAS | OAF | 2.1° | 179.9° |
| CAC | CAR | CAS | OAP | 178.5° | 0.0° |
| CAR | CAC | H4 | H5 | 120.0° | 120.0° |
| CAR | CAC | H4 | H6 | 120.0° | 120.0° |
| CAR | CAC | H5 | H6 | 120.0° | 119.9° |
| CAC | CAR | CAK | H7 | 179.0° | 174.6° |
| CAL | CAO | CAY | H16 | 120.5° | 120.0° |
| CAL | CAO | CAY | H17 | 120.5° | 120.0° |
| CAL | CAO | CAY | CAV | 65.0° | 89.9° |
| CAL | CAO | H16 | H17 | 118.5° | 120.0° |
| CAO | CAY | CAV | CAX | 179.7° | 180.0° |
| CAO | CAY | CAV | OAH | 1.6° | 0.0° |
| CAY | CAO | CAL | H15 | 35.2° | 53.8° |
| CAY | CAO | H16 | H17 | 118.5° | 120.0° |
| CAW | CAT | CAD | CAX | 178.6° | 179.9° |
| CAW | CAT | CAX | CAV | 0.9° | 0.1° |
| CAW | CAT | CAX | CAJ | 178.6° | 179.9° |
| CAW | CAT | CAD | H20 | 90.7° | 89.9° |
| CAW | CAT | CAD | H21 | 149.4° | 30.0° |
| CAW | CAT | CAD | H22 | 29.3° | 150.0° |
| CAY | CAV | CAX | CAT | 0.5° | 0.1° |
| CAY | CAV | CAX | OAH | 178.0° | 179.9° |
| CAY | CAV | CAX | CAJ | 179.0° | 179.9° |
| CAV | CAY | CAO | H16 | 55.5° | 30.0° |
| CAV | CAY | CAO | H17 | 174.5° | 150.0° |
| CAY | CAV | OAH | H18 | 176.9° | 90.0° |
| CAK | CAR | CAS | OAF | 178.2° | 0.0° |
| CAK | CAR | CAS | OAP | 1.2° | 180.0° |
| CAK | CAR | CAC | H4 | 180.0° | 174.9° |
| CAK | CAR | CAC | H5 | 60.0° | 65.1° |
| CAK | CAR | CAC | H6 | 60.0° | 54.8° |
| CAR | CAK | CAM | H8 | 82.9° | 114.4° |
| CAR | CAK | CAM | H9 | 35.9° | 5.5° |
| CAR | CAS | OAF | OAP | 179.4° | 180.0° |
| CAR | CAS | OAP | CAA | 176.4° | 180.0° |
| CAS | CAR | CAC | H4 | 0.4° | 5.0° |
| CAS | CAR | CAC | H5 | 119.6° | 115.0° |
| CAS | CAR | CAC | H6 | 120.4° | 125.1° |
| CAS | CAR | CAK | H7 | 1.4° | 5.4° |
| CAD | CAT | CAX | CAV | 179.5° | 180.0° |
| CAD | CAT | CAX | CAJ | 0.0° | 0.1° |
| CAT | CAD | H20 | H21 | 120.0° | 119.9° |
| CAT | CAD | H20 | H22 | 120.0° | 120.0° |
| CAT | CAD | H21 | H22 | 120.0° | 119.9° |
| CAT | CAX | CAV | CAJ | 179.5° | 180.0° |
| CAT | CAX | CAV | OAH | 178.5° | 180.0° |
| CAT | CAX | CAJ | OAE | 174.5° | 179.9° |
| CAT | CAX | CAJ | H19 | 5.5° | 0.0° |
| CAX | CAT | CAD | H20 | 90.7° | 90.0° |
| CAX | CAT | CAD | H21 | 29.2° | 150.1° |
| CAX | CAT | CAD | H22 | 149.2° | 30.1° |
| CAV | CAX | CAJ | OAE | 5.0° | 0.0° |
| CAX | CAV | OAH | H18 | 1.2° | 90.0° |
| CAV | CAX | CAJ | H19 | 175.0° | 179.9° |
| OAH | CAV | CAX | CAJ | 1.0° | 0.0° |
| OAF | CAS | OAP | CAA | 3.0° | 0.1° |
| CAS | OAP | CAA | H1 | 180.0° | 60.0° |
| CAS | OAP | CAA | H2 | 60.0° | 180.0° |
| CAS | OAP | CAA | H3 | 60.0° | 60.0° |
| CAX | CAJ | OAE | H19 | 180.0° | 179.9° |
| OAP | CAA | H1 | H2 | 120.0° | 120.0° |
| OAP | CAA | H1 | H3 | 120.0° | 120.0° |
| OAP | CAA | H2 | H3 | 120.0° | 119.9° |
| H1 | CAA | H2 | H3 | 120.0° | 120.1° |
| H4 | CAC | H5 | H6 | 120.0° | 120.1° |
| H7 | CAK | CAM | H8 | 97.1° | 65.7° |
| H7 | CAK | CAM | H9 | 144.1° | 174.4° |
| H8 | CAM | CAN | H10 | 77.5° | 180.0° |
| H8 | CAM | CAN | H11 | 42.1° | 60.0° |
| H9 | CAM | CAN | H10 | 163.7° | 60.0° |
| H9 | CAM | CAN | H11 | 76.8° | 180.0° |
| H12 | CAB | H13 | H14 | 120.0° | 120.0° |
| H15 | CAL | CAO | H16 | 85.3° | 66.2° |
| H15 | CAL | CAO | H17 | 155.7° | 173.9° |
| H20 | CAD | H21 | H22 | 120.0° | 120.1° |
