9BO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAS | sing | 1.51Å | 1.54Å | |
| OAH | CAV | sing | 1.36Å | 1.36Å | |
| CAS | CAO | sing | 1.51Å | 1.55Å | |
| CAS | CAM | doub | 1.31Å | 1.39Å | |
| CLA | CAX | sing | 1.74Å | 1.73Å | |
| CAO | CAN | sing | 1.53Å | 1.54Å | |
| CAN | CAL | sing | 1.51Å | 1.40Å | |
| CAV | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAV | CAZ | sing | 1.39Å | 1.41Å | Aromatic |
| CAP | CAM | sing | 1.51Å | 1.42Å | |
| CAP | CAZ | sing | 1.51Å | 1.54Å | |
| CAX | CAU | sing | 1.37Å | 1.39Å | Aromatic |
| CAZ | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAT | sing | 1.51Å | 1.55Å | |
| CAL | CAT | doub | 1.31Å | 1.41Å | |
| CAT | CBA | sing | 1.51Å | 1.54Å | |
| CAU | CAD | sing | 1.51Å | 1.54Å | |
| CAU | CAY | doub | 1.40Å | 1.40Å | Aromatic |
| CAW | CAY | sing | 1.41Å | 1.41Å | Aromatic |
| CAW | OAI | sing | 1.36Å | 1.36Å | |
| CAY | CAK | sing | 1.47Å | 1.53Å | |
| CBA | OAQ | sing | 1.45Å | 1.44Å | |
| CBA | CAE | sing | 1.53Å | 1.53Å | |
| OAQ | CAR | sing | 1.34Å | 1.36Å | |
| CAR | OAG | doub | 1.21Å | 1.23Å | |
| CAR | CAA | sing | 1.51Å | 1.49Å | |
| CAK | OAF | 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 | |
| CBA | H4 | sing | 1.09Å | 1.10Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAC | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAO | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| CAB | H18 | sing | 1.09Å | 1.10Å | |
| CAM | H19 | sing | 1.08Å | 1.08Å | |
| CAP | H20 | sing | 1.09Å | 1.10Å | |
| CAP | H21 | sing | 1.09Å | 1.10Å | |
| OAI | H22 | sing | 0.97Å | 0.95Å | |
| CAK | H23 | sing | 1.08Å | 1.08Å | |
| CAD | H24 | sing | 1.09Å | 1.10Å | |
| CAD | H25 | sing | 1.09Å | 1.10Å | |
| CAD | H26 | sing | 1.09Å | 1.10Å | |
| OAH | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAS | CAO | 119.2° | 120.0° |
| CAB | CAS | CAM | 121.9° | 120.0° |
| CAS | CAB | H16 | 109.5° | 109.5° |
| CAS | CAB | H17 | 109.5° | 109.4° |
| CAS | CAB | H18 | 109.5° | 109.5° |
| OAH | CAV | CAX | 118.7° | 119.8° |
| OAH | CAV | CAZ | 120.0° | 119.8° |
| CAV | OAH | H27 | 109.5° | 114.0° |
| CAO | CAS | CAM | 119.0° | 120.0° |
| CAS | CAO | CAN | 111.6° | 109.5° |
| CAS | CAO | H14 | 108.9° | 109.5° |
| CAS | CAO | H15 | 108.9° | 109.5° |
| CAS | CAM | CAP | 126.3° | 120.0° |
| CAS | CAM | H19 | 116.9° | 119.9° |
| CLA | CAX | CAV | 119.6° | 119.8° |
| CLA | CAX | CAU | 119.1° | 119.8° |
| CAO | CAN | CAL | 115.0° | 109.5° |
| CAO | CAN | H12 | 108.1° | 109.4° |
| CAO | CAN | H13 | 108.1° | 109.4° |
| CAN | CAO | H14 | 108.9° | 109.5° |
| CAN | CAO | H15 | 109.0° | 109.5° |
| CAN | CAL | CAT | 130.5° | 120.0° |
| CAN | CAL | H11 | 114.7° | 120.0° |
| CAL | CAN | H12 | 108.1° | 109.5° |
| CAL | CAN | H13 | 108.1° | 109.5° |
| CAX | CAV | CAZ | 121.3° | 120.3° |
| CAV | CAX | CAU | 121.3° | 120.4° |
| CAV | CAZ | CAP | 122.4° | 120.0° |
| CAV | CAZ | CAW | 116.8° | 119.9° |
| CAM | CAP | CAZ | 113.5° | 109.5° |
| CAP | CAM | H19 | 116.9° | 120.0° |
| CAM | CAP | H20 | 108.4° | 109.5° |
| CAM | CAP | H21 | 108.4° | 109.5° |
| CAP | CAZ | CAW | 120.8° | 120.0° |
| CAZ | CAP | H20 | 108.4° | 109.4° |
| CAZ | CAP | H21 | 108.5° | 109.5° |
| CAX | CAU | CAD | 119.6° | 120.0° |
| CAX | CAU | CAY | 118.3° | 120.1° |
| CAZ | CAW | CAY | 122.3° | 119.6° |
| CAZ | CAW | OAI | 117.1° | 120.2° |
| CAC | CAT | CAL | 123.1° | 120.0° |
| CAC | CAT | CBA | 117.1° | 120.0° |
| CAT | CAC | H8 | 109.5° | 109.4° |
| CAT | CAC | H9 | 109.5° | 109.5° |
| CAT | CAC | H10 | 109.4° | 109.5° |
| CAL | CAT | CBA | 119.8° | 119.9° |
| CAT | CAL | H11 | 114.7° | 120.0° |
| CAT | CBA | OAQ | 112.1° | 109.4° |
| CAT | CBA | CAE | 111.6° | 109.5° |
| CAT | CBA | H4 | 109.4° | 109.5° |
| CAD | CAU | CAY | 122.1° | 120.0° |
| CAU | CAD | H24 | 109.5° | 109.5° |
| CAU | CAD | H25 | 109.5° | 109.5° |
| CAU | CAD | H26 | 109.5° | 109.4° |
| CAU | CAY | CAW | 120.1° | 119.7° |
| CAU | CAY | CAK | 120.9° | 120.1° |
| CAY | CAW | OAI | 120.6° | 120.1° |
| CAW | CAY | CAK | 119.0° | 120.2° |
| CAW | OAI | H22 | 109.5° | 114.0° |
| CAY | CAK | OAF | 118.6° | 120.0° |
| CAY | CAK | H23 | 120.7° | 120.0° |
| OAQ | CBA | CAE | 103.4° | 109.4° |
| CBA | OAQ | CAR | 123.0° | 117.0° |
| OAQ | CBA | H4 | 110.8° | 109.5° |
| CAE | CBA | H4 | 109.5° | 109.5° |
| CBA | CAE | H5 | 109.5° | 109.5° |
| CBA | CAE | H6 | 109.5° | 109.5° |
| CBA | CAE | H7 | 109.5° | 109.5° |
| OAQ | CAR | OAG | 120.9° | 120.0° |
| OAQ | CAR | CAA | 120.0° | 120.0° |
| OAG | CAR | CAA | 118.8° | 120.0° |
| CAR | CAA | H1 | 109.5° | 109.5° |
| CAR | CAA | H2 | 109.4° | 109.5° |
| CAR | CAA | H3 | 109.5° | 109.4° |
| OAF | CAK | H23 | 120.7° | 120.0° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H5 | CAE | H6 | 109.5° | 109.5° |
| H5 | CAE | H7 | 109.5° | 109.4° |
| H6 | CAE | H7 | 109.5° | 109.5° |
| H8 | CAC | H9 | 109.4° | 109.5° |
| H8 | CAC | H10 | 109.5° | 109.5° |
| H9 | CAC | H10 | 109.5° | 109.5° |
| H12 | CAN | H13 | 109.5° | 109.5° |
| H14 | CAO | H15 | 109.5° | 109.5° |
| H16 | CAB | H17 | 109.4° | 109.4° |
| H16 | CAB | H18 | 109.5° | 109.5° |
| H17 | CAB | H18 | 109.5° | 109.5° |
| H20 | CAP | H21 | 109.5° | 109.5° |
| H24 | CAD | H25 | 109.5° | 109.4° |
| H24 | CAD | H26 | 109.5° | 109.5° |
| H25 | CAD | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAS | CAO | CAM | 179.9° | 179.9° |
| CAB | CAS | CAO | CAN | 75.8° | 85.0° |
| CAB | CAS | CAM | CAP | 3.0° | 4.9° |
| CAB | CAS | CAO | H14 | 163.9° | 155.0° |
| CAB | CAS | CAO | H15 | 44.5° | 35.0° |
| CAS | CAB | H16 | H17 | 120.0° | 119.9° |
| CAS | CAB | H16 | H18 | 120.0° | 120.1° |
| CAS | CAB | H17 | H18 | 120.0° | 120.0° |
| CAB | CAS | CAM | H19 | 177.0° | 175.1° |
| OAH | CAV | CAX | CLA | 0.5° | 0.2° |
| OAH | CAV | CAX | CAZ | 178.4° | 179.5° |
| OAH | CAV | CAZ | CAP | 0.4° | 0.2° |
| OAH | CAV | CAX | CAU | 179.9° | 180.0° |
| OAH | CAV | CAZ | CAW | 179.9° | 180.0° |
| CAS | CAO | CAN | H14 | 120.3° | 120.0° |
| CAS | CAO | CAN | H15 | 120.3° | 120.0° |
| CAS | CAO | CAN | CAL | 69.9° | 180.0° |
| CAO | CAS | CAM | CAP | 177.1° | 175.0° |
| CAS | CAO | CAN | H12 | 169.3° | 60.0° |
| CAS | CAO | CAN | H13 | 50.9° | 60.0° |
| CAS | CAO | H14 | H15 | 119.0° | 120.0° |
| CAO | CAS | CAB | H16 | 180.0° | 4.8° |
| CAO | CAS | CAB | H17 | 60.0° | 124.8° |
| CAO | CAS | CAB | H18 | 60.0° | 115.2° |
| CAO | CAS | CAM | H19 | 2.9° | 5.0° |
| CAM | CAS | CAO | CAN | 104.3° | 95.0° |
| CAS | CAM | CAP | H19 | 180.0° | 180.0° |
| CAS | CAM | CAP | CAZ | 141.0° | 126.0° |
| CAM | CAS | CAO | H14 | 16.0° | 25.0° |
| CAM | CAS | CAO | H15 | 135.4° | 145.0° |
| CAM | CAS | CAB | H16 | 0.1° | 175.2° |
| CAM | CAS | CAB | H17 | 120.1° | 55.3° |
| CAM | CAS | CAB | H18 | 119.9° | 64.7° |
| CAS | CAM | CAP | H20 | 98.4° | 114.1° |
| CAS | CAM | CAP | H21 | 20.4° | 6.0° |
| CLA | CAX | CAV | CAU | 179.4° | 179.8° |
| CLA | CAX | CAV | CAZ | 178.9° | 179.8° |
| CLA | CAX | CAU | CAD | 0.4° | 0.1° |
| CLA | CAX | CAU | CAY | 179.9° | 180.0° |
| CAO | CAN | CAL | H12 | 120.8° | 120.0° |
| CAO | CAN | CAL | H13 | 120.8° | 120.0° |
| CAO | CAN | CAL | CAT | 165.4° | 125.4° |
| CAO | CAN | CAL | H11 | 14.6° | 54.6° |
| CAO | CAN | H12 | H13 | 117.5° | 119.9° |
| CAN | CAO | H14 | H15 | 119.1° | 120.0° |
| CAN | CAL | CAT | CAC | 0.8° | 5.5° |
| CAN | CAL | CAT | H11 | 180.0° | 180.0° |
| CAN | CAL | CAT | CBA | 178.9° | 174.6° |
| CAL | CAN | H12 | H13 | 117.5° | 120.1° |
| CAL | CAN | CAO | H14 | 50.5° | 60.0° |
| CAL | CAN | CAO | H15 | 169.8° | 60.0° |
| CAX | CAV | CAZ | CAP | 178.8° | 179.7° |
| CAX | CAV | CAZ | CAW | 1.5° | 0.5° |
| CAV | CAX | CAU | CAD | 179.0° | 179.7° |
| CAV | CAX | CAU | CAY | 0.5° | 0.2° |
| CAX | CAV | OAH | H27 | 180.0° | 90.0° |
| CAV | CAZ | CAP | CAM | 114.6° | 90.2° |
| CAV | CAZ | CAP | CAW | 179.6° | 179.8° |
| CAZ | CAV | CAX | CAU | 1.7° | 0.5° |
| CAV | CAZ | CAW | CAY | 0.3° | 0.2° |
| CAV | CAZ | CAW | OAI | 179.9° | 179.7° |
| CAV | CAZ | CAP | H20 | 124.8° | 149.7° |
| CAV | CAZ | CAP | H21 | 6.0° | 29.8° |
| CAZ | CAV | OAH | H27 | 1.6° | 90.5° |
| CAM | CAP | CAZ | H20 | 120.6° | 120.0° |
| CAM | CAP | CAZ | H21 | 120.6° | 120.0° |
| CAM | CAP | CAZ | CAW | 65.1° | 90.0° |
| CAM | CAP | H20 | H21 | 118.1° | 120.0° |
| CAP | CAZ | CAW | CAY | 180.0° | 180.0° |
| CAP | CAZ | CAW | OAI | 0.4° | 0.1° |
| CAZ | CAP | CAM | H19 | 39.0° | 54.0° |
| CAZ | CAP | H20 | H21 | 118.2° | 119.9° |
| CAX | CAU | CAD | CAY | 179.4° | 179.9° |
| CAX | CAU | CAY | CAW | 0.7° | 0.1° |
| CAX | CAU | CAY | CAK | 178.3° | 180.0° |
| CAX | CAU | CAD | H24 | 89.7° | 89.9° |
| CAX | CAU | CAD | H25 | 150.3° | 30.1° |
| CAX | CAU | CAD | H26 | 30.3° | 150.0° |
| CAZ | CAW | CAY | CAU | 0.8° | 0.1° |
| CAZ | CAW | CAY | OAI | 179.6° | 179.9° |
| CAZ | CAW | CAY | CAK | 178.5° | 180.0° |
| CAW | CAZ | CAP | H20 | 55.5° | 30.1° |
| CAW | CAZ | CAP | H21 | 174.3° | 150.0° |
| CAZ | CAW | OAI | H22 | 176.5° | 89.9° |
| CAC | CAT | CAL | CBA | 178.1° | 179.9° |
| CAC | CAT | CBA | OAQ | 161.8° | 55.0° |
| CAC | CAT | CBA | CAE | 82.8° | 65.0° |
| CAC | CAT | CBA | H4 | 38.5° | 175.0° |
| CAT | CAC | H8 | H9 | 120.0° | 120.0° |
| CAT | CAC | H8 | H10 | 120.0° | 120.0° |
| CAT | CAC | H9 | H10 | 120.0° | 120.0° |
| CAC | CAT | CAL | H11 | 179.2° | 174.6° |
| CAL | CAT | CBA | OAQ | 16.5° | 125.1° |
| CAL | CAT | CBA | CAE | 98.9° | 115.0° |
| CAL | CAT | CBA | H4 | 139.8° | 5.1° |
| CAL | CAT | CAC | H8 | 180.0° | 174.9° |
| CAL | CAT | CAC | H9 | 60.0° | 65.1° |
| CAL | CAT | CAC | H10 | 60.0° | 55.0° |
| CAT | CAL | CAN | H12 | 73.8° | 114.7° |
| CAT | CAL | CAN | H13 | 44.6° | 5.4° |
| CAT | CBA | OAQ | CAE | 120.3° | 120.0° |
| CAT | CBA | OAQ | H4 | 122.5° | 120.0° |
| CAT | CBA | CAE | H4 | 121.2° | 120.0° |
| CAT | CBA | OAQ | CAR | 114.2° | 150.0° |
| CAT | CBA | CAE | H5 | 180.0° | 60.0° |
| CAT | CBA | CAE | H6 | 60.0° | 180.0° |
| CAT | CBA | CAE | H7 | 60.0° | 60.0° |
| CBA | CAT | CAC | H8 | 1.8° | 5.0° |
| CBA | CAT | CAC | H9 | 121.8° | 115.0° |
| CBA | CAT | CAC | H10 | 118.2° | 125.0° |
| CBA | CAT | CAL | H11 | 1.0° | 5.4° |
| CAD | CAU | CAY | CAW | 179.9° | 180.0° |
| CAD | CAU | CAY | CAK | 2.2° | 0.1° |
| CAU | CAD | H24 | H25 | 120.0° | 120.0° |
| CAU | CAD | H24 | H26 | 120.0° | 120.0° |
| CAU | CAD | H25 | H26 | 120.0° | 120.0° |
| CAU | CAY | CAW | CAK | 177.7° | 180.0° |
| CAU | CAY | CAW | OAI | 178.8° | 180.0° |
| CAU | CAY | CAK | OAF | 173.0° | 180.0° |
| CAU | CAY | CAK | H23 | 7.0° | 0.0° |
| CAY | CAU | CAD | H24 | 89.7° | 90.0° |
| CAY | CAU | CAD | H25 | 30.3° | 150.0° |
| CAY | CAU | CAD | H26 | 150.3° | 30.1° |
| CAW | CAY | CAK | OAF | 4.6° | 0.1° |
| CAY | CAW | OAI | H22 | 3.1° | 90.0° |
| CAW | CAY | CAK | H23 | 175.3° | 180.0° |
| OAI | CAW | CAY | CAK | 1.1° | 0.0° |
| CAY | CAK | OAF | H23 | 180.0° | 179.9° |
| OAQ | CBA | CAE | H4 | 118.1° | 120.0° |
| CBA | OAQ | CAR | OAG | 159.9° | 0.0° |
| CBA | OAQ | CAR | CAA | 26.8° | 180.0° |
| OAQ | CBA | CAE | H5 | 59.3° | 180.0° |
| OAQ | CBA | CAE | H6 | 60.7° | 60.0° |
| OAQ | CBA | CAE | H7 | 179.3° | 60.0° |
| CAE | CBA | OAQ | CAR | 125.5° | 90.0° |
| CBA | CAE | H5 | H6 | 120.0° | 120.1° |
| CBA | CAE | H5 | H7 | 120.0° | 120.0° |
| CBA | CAE | H6 | H7 | 120.0° | 120.0° |
| OAQ | CAR | OAG | CAA | 173.3° | 180.0° |
| OAQ | CAR | CAA | H1 | 173.4° | 180.0° |
| OAQ | CAR | CAA | H2 | 53.4° | 60.0° |
| OAQ | CAR | CAA | H3 | 66.6° | 60.0° |
| CAR | OAQ | CBA | H4 | 8.3° | 30.0° |
| OAG | CAR | CAA | H1 | 0.0° | 0.1° |
| OAG | CAR | CAA | H2 | 120.0° | 120.0° |
| OAG | CAR | CAA | H3 | 120.0° | 120.0° |
| CAR | CAA | H1 | H2 | 120.0° | 120.0° |
| CAR | CAA | H1 | H3 | 120.0° | 119.9° |
| CAR | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CBA | CAE | H5 | 58.8° | 60.0° |
| H4 | CBA | CAE | H6 | 178.8° | 60.0° |
| H4 | CBA | CAE | H7 | 61.2° | NaN° |
| H5 | CAE | H6 | H7 | 120.0° | 119.9° |
| H8 | CAC | H9 | H10 | 120.0° | 120.0° |
| H11 | CAL | CAN | H12 | 106.2° | 65.4° |
| H11 | CAL | CAN | H13 | 135.4° | 174.5° |
| H12 | CAN | CAO | H14 | 70.3° | 180.0° |
| H12 | CAN | CAO | H15 | 49.0° | 60.0° |
| H13 | CAN | CAO | H14 | 171.3° | 60.0° |
| H13 | CAN | CAO | H15 | 69.4° | 180.0° |
| H16 | CAB | H17 | H18 | 120.0° | 120.0° |
| H19 | CAM | CAP | H20 | 81.6° | 65.9° |
| H19 | CAM | CAP | H21 | 159.6° | 174.0° |
| H24 | CAD | H25 | H26 | 120.0° | 120.0° |
