19H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAS | sing | 1.51Å | 1.31Å | |
| CAJ | CAS | doub | 1.38Å | 1.42Å | Aromatic |
| CAJ | CAU | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAX | sing | 1.51Å | 1.60Å | |
| CAN | CAL | sing | 1.53Å | 1.53Å | |
| CAH | CAG | doub | 1.36Å | 1.42Å | Aromatic |
| CAH | CAZ | sing | 1.40Å | 1.32Å | Aromatic |
| CAG | CAT | sing | 1.39Å | 1.38Å | Aromatic |
| CAS | CAV | sing | 1.38Å | 1.43Å | Aromatic |
| CAZ | CAX | sing | 1.42Å | 1.33Å | Aromatic |
| CAZ | CAY | doub | 1.41Å | 1.33Å | Aromatic |
| CAX | CAW | doub | 1.36Å | 1.31Å | Aromatic |
| CAT | CL2 | sing | 1.74Å | 1.73Å | |
| CAT | CAK | doub | 1.38Å | 1.41Å | Aromatic |
| OAD | CAQ | doub | 1.22Å | 1.29Å | |
| OAP | CAU | sing | 1.36Å | 1.32Å | |
| OAP | CAM | sing | 1.43Å | 1.46Å | |
| CAY | CAK | sing | 1.39Å | 1.30Å | Aromatic |
| CAY | NAO | sing | 1.37Å | 1.38Å | Aromatic |
| CAW | NAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAQ | sing | 1.47Å | 1.27Å | |
| CAU | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | OAC | sing | 1.35Å | 1.30Å | |
| CAL | CAM | sing | 1.53Å | 1.52Å | |
| CAV | CL1 | sing | 1.74Å | 1.70Å | |
| CAV | CAR | doub | 1.38Å | 1.42Å | Aromatic |
| CAI | CAR | sing | 1.38Å | 1.43Å | Aromatic |
| CAR | CAA | sing | 1.51Å | 1.31Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| NAO | H2 | sing | 0.97Å | 1.00Å | |
| CAK | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAA | 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 | |
| CAJ | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAS | CAJ | 121.9° | 120.0° |
| CAB | CAS | CAV | 122.8° | 120.0° |
| CAS | CAB | H16 | 109.5° | 109.5° |
| CAS | CAB | H17 | 109.5° | 109.4° |
| CAS | CAB | H18 | 109.5° | 109.5° |
| CAS | CAJ | CAU | 122.4° | 120.0° |
| CAJ | CAS | CAV | 115.3° | 120.1° |
| CAS | CAJ | H19 | 118.8° | 120.0° |
| CAJ | CAU | OAP | 117.3° | 120.1° |
| CAJ | CAU | CAI | 119.8° | 119.9° |
| CAU | CAJ | H19 | 118.8° | 120.0° |
| CAX | CAN | CAL | 117.2° | 109.5° |
| CAN | CAX | CAZ | 122.2° | 126.1° |
| CAN | CAX | CAW | 119.7° | 126.1° |
| CAX | CAN | H6 | 107.5° | 109.5° |
| CAX | CAN | H7 | 107.5° | 109.5° |
| CAN | CAL | CAM | 113.9° | 109.5° |
| CAL | CAN | H6 | 107.5° | 109.5° |
| CAL | CAN | H7 | 107.5° | 109.4° |
| CAN | CAL | H8 | 108.3° | 109.5° |
| CAN | CAL | H9 | 108.3° | 109.5° |
| CAG | CAH | CAZ | 123.5° | 119.8° |
| CAH | CAG | CAT | 116.9° | 120.6° |
| CAH | CAG | H4 | 121.5° | 119.6° |
| CAG | CAH | H5 | 118.3° | 120.1° |
| CAH | CAZ | CAX | 137.8° | 133.3° |
| CAH | CAZ | CAY | 117.4° | 119.7° |
| CAZ | CAH | H5 | 118.3° | 120.1° |
| CAG | CAT | CL2 | 121.8° | 119.7° |
| CAG | CAT | CAK | 117.1° | 120.6° |
| CAT | CAG | H4 | 121.5° | 119.7° |
| CAS | CAV | CL1 | 115.4° | 120.0° |
| CAS | CAV | CAR | 124.2° | 120.1° |
| CAX | CAZ | CAY | 104.8° | 107.0° |
| CAZ | CAX | CAW | 118.1° | 107.7° |
| CAZ | CAY | CAK | 123.9° | 119.5° |
| CAZ | CAY | NAO | 106.1° | 107.4° |
| CAX | CAW | NAO | 99.4° | 109.1° |
| CAX | CAW | CAQ | 137.1° | 125.4° |
| CL2 | CAT | CAK | 121.2° | 119.7° |
| CAT | CAK | CAY | 121.2° | 119.8° |
| CAT | CAK | H3 | 119.4° | 120.1° |
| OAD | CAQ | CAW | 124.2° | 120.0° |
| OAD | CAQ | OAC | 109.7° | 120.0° |
| CAU | OAP | CAM | 114.4° | 117.0° |
| OAP | CAU | CAI | 122.6° | 120.0° |
| OAP | CAM | CAL | 112.2° | 109.5° |
| OAP | CAM | H10 | 108.8° | 109.5° |
| OAP | CAM | H11 | 108.8° | 109.4° |
| CAK | CAY | NAO | 129.9° | 133.1° |
| CAY | CAK | H3 | 119.4° | 120.1° |
| CAY | NAO | CAW | 111.6° | 108.8° |
| CAY | NAO | H2 | 124.2° | 125.7° |
| NAO | CAW | CAQ | 123.5° | 125.5° |
| CAW | NAO | H2 | 124.2° | 125.6° |
| CAW | CAQ | OAC | 126.1° | 120.0° |
| CAU | CAI | CAR | 121.9° | 120.0° |
| CAU | CAI | H12 | 119.0° | 120.0° |
| CAQ | OAC | H1 | 109.5° | 117.0° |
| CAM | CAL | H8 | 108.4° | 109.5° |
| CAM | CAL | H9 | 108.4° | 109.5° |
| CAL | CAM | H10 | 108.8° | 109.5° |
| CAL | CAM | H11 | 108.8° | 109.5° |
| CL1 | CAV | CAR | 120.4° | 120.0° |
| CAV | CAR | CAI | 116.1° | 120.0° |
| CAV | CAR | CAA | 124.9° | 120.0° |
| CAI | CAR | CAA | 119.0° | 120.0° |
| CAR | CAI | H12 | 119.0° | 120.0° |
| CAR | CAA | H13 | 109.5° | 109.4° |
| CAR | CAA | H14 | 109.5° | 109.5° |
| CAR | CAA | H15 | 109.5° | 109.5° |
| H6 | CAN | H7 | 109.5° | 109.5° |
| H8 | CAL | H9 | 109.5° | 109.5° |
| H10 | CAM | H11 | 109.4° | 109.5° |
| H13 | CAA | H14 | 109.4° | 109.5° |
| H13 | CAA | H15 | 109.4° | 109.5° |
| H14 | CAA | H15 | 109.5° | 109.4° |
| H16 | CAB | H17 | 109.5° | 109.5° |
| H16 | CAB | H18 | 109.4° | 109.5° |
| H17 | CAB | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAS | CAJ | CAV | 179.2° | 179.7° |
| CAB | CAS | CAJ | CAU | 177.2° | 179.8° |
| CAB | CAS | CAV | CL1 | 0.7° | 0.1° |
| CAB | CAS | CAV | CAR | 179.6° | 180.0° |
| CAS | CAB | H16 | H17 | 120.0° | 120.0° |
| CAS | CAB | H16 | H18 | 120.0° | 120.0° |
| CAS | CAB | H17 | H18 | 120.0° | 119.9° |
| CAB | CAS | CAJ | H19 | 2.8° | 0.2° |
| CAS | CAJ | CAU | H19 | 180.0° | 179.6° |
| CAS | CAJ | CAU | OAP | 179.4° | 179.8° |
| CAS | CAJ | CAU | CAI | 5.5° | 0.5° |
| CAJ | CAS | CAV | CL1 | 179.8° | 179.8° |
| CAJ | CAS | CAV | CAR | 0.5° | 0.2° |
| CAJ | CAS | CAB | H16 | 89.5° | 89.8° |
| CAJ | CAS | CAB | H17 | 150.4° | 30.3° |
| CAJ | CAS | CAB | H18 | 30.5° | 150.2° |
| CAU | CAJ | CAS | CAV | 3.6° | 0.5° |
| CAJ | CAU | OAP | CAI | 173.7° | 179.7° |
| CAJ | CAU | OAP | CAM | 155.3° | 0.3° |
| CAJ | CAU | CAI | CAR | 4.1° | 0.2° |
| CAJ | CAU | CAI | H12 | 176.0° | 179.8° |
| CAX | CAN | CAL | H6 | 121.1° | 120.0° |
| CAX | CAN | CAL | H7 | 121.1° | 120.0° |
| CAN | CAX | CAZ | CAH | 3.6° | 0.1° |
| CAN | CAX | CAZ | CAW | 176.8° | 179.9° |
| CAN | CAX | CAZ | CAY | 177.6° | 179.7° |
| CAN | CAX | CAW | NAO | 177.6° | 179.7° |
| CAN | CAX | CAW | CAQ | 4.2° | 0.0° |
| CAX | CAN | CAL | CAM | 82.0° | 180.0° |
| CAX | CAN | H6 | H7 | 116.5° | 120.0° |
| CAX | CAN | CAL | H8 | 38.6° | 60.0° |
| CAX | CAN | CAL | H9 | 157.3° | 60.0° |
| CAL | CAN | CAX | CAZ | 99.9° | 90.0° |
| CAL | CAN | CAX | CAW | 83.4° | 90.1° |
| CAN | CAL | CAM | OAP | 45.0° | 180.0° |
| CAN | CAL | CAM | H8 | 120.7° | 120.0° |
| CAN | CAL | CAM | H9 | 120.7° | 120.0° |
| CAL | CAN | H6 | H7 | 116.5° | 120.0° |
| CAN | CAL | H8 | H9 | 117.9° | 120.0° |
| CAN | CAL | CAM | H10 | 165.4° | 60.0° |
| CAN | CAL | CAM | H11 | 75.4° | 60.0° |
| CAG | CAH | CAZ | H5 | 180.0° | 180.0° |
| CAH | CAG | CAT | H4 | 180.0° | 180.0° |
| CAG | CAH | CAZ | CAX | 178.6° | 179.7° |
| CAG | CAH | CAZ | CAY | 0.0° | 0.1° |
| CAH | CAG | CAT | CL2 | 179.6° | 180.0° |
| CAH | CAG | CAT | CAK | 0.3° | 0.0° |
| CAZ | CAH | CAG | CAT | 0.3° | 0.1° |
| CAH | CAZ | CAX | CAY | 178.7° | 179.8° |
| CAH | CAZ | CAX | CAW | 179.6° | 179.9° |
| CAH | CAZ | CAY | CAK | 0.3° | 0.1° |
| CAH | CAZ | CAY | NAO | 179.5° | 180.0° |
| CAZ | CAH | CAG | H4 | 179.7° | 180.0° |
| CAG | CAT | CL2 | CAK | 179.3° | 180.0° |
| CAG | CAT | CAK | CAY | 0.1° | 0.0° |
| CAG | CAT | CAK | H3 | 179.9° | 180.0° |
| CAT | CAG | CAH | H5 | 179.7° | 179.9° |
| CAS | CAV | CL1 | CAR | 179.7° | 180.0° |
| CAS | CAV | CAR | CAI | 0.8° | 0.0° |
| CAS | CAV | CAR | CAA | 179.9° | 180.0° |
| CAV | CAS | CAB | H16 | 89.6° | 90.0° |
| CAV | CAS | CAB | H17 | 30.5° | 150.0° |
| CAV | CAS | CAB | H18 | 150.4° | 30.0° |
| CAV | CAS | CAJ | H19 | 176.4° | 179.9° |
| CAX | CAZ | CAY | CAK | 179.4° | 179.8° |
| CAX | CAZ | CAY | NAO | 0.5° | 0.2° |
| CAZ | CAX | CAW | NAO | 0.8° | 0.3° |
| CAZ | CAX | CAW | CAQ | 179.0° | 179.9° |
| CAX | CAZ | CAH | H5 | 1.4° | 0.3° |
| CAZ | CAX | CAN | H6 | 139.0° | 150.0° |
| CAZ | CAX | CAN | H7 | 21.2° | 30.0° |
| CAY | CAZ | CAX | CAW | 0.9° | 0.3° |
| CAZ | CAY | CAK | CAT | 0.4° | 0.0° |
| CAZ | CAY | CAK | NAO | 179.9° | 179.9° |
| CAZ | CAY | NAO | CAW | 0.1° | 0.0° |
| CAZ | CAY | NAO | H2 | 179.9° | 180.0° |
| CAZ | CAY | CAK | H3 | 179.6° | 180.0° |
| CAY | CAZ | CAH | H5 | 180.0° | 179.9° |
| CAX | CAW | CAQ | OAD | 25.9° | 0.3° |
| CAX | CAW | NAO | CAY | 0.4° | 0.2° |
| CAX | CAW | NAO | CAQ | 178.5° | 179.8° |
| CAX | CAW | CAQ | OAC | 152.2° | 179.8° |
| CAX | CAW | NAO | H2 | 179.6° | 179.8° |
| CAW | CAX | CAN | H6 | 37.7° | 29.9° |
| CAW | CAX | CAN | H7 | 155.5° | 149.9° |
| CL2 | CAT | CAK | CAY | 179.3° | 180.0° |
| CL2 | CAT | CAK | H3 | 0.7° | 0.1° |
| CL2 | CAT | CAG | H4 | 0.4° | 0.0° |
| CAT | CAK | CAY | H3 | 180.0° | 180.0° |
| CAT | CAK | CAY | NAO | 179.5° | 180.0° |
| CAK | CAT | CAG | H4 | 179.8° | 180.0° |
| OAD | CAQ | CAW | NAO | 156.3° | 180.0° |
| OAD | CAQ | CAW | OAC | 178.1° | 180.0° |
| OAD | CAQ | OAC | H1 | 0.0° | 0.1° |
| CAU | OAP | CAM | CAL | 178.9° | 180.0° |
| OAP | CAU | CAI | CAR | 177.6° | 179.9° |
| CAU | OAP | CAM | H10 | 58.5° | 60.0° |
| CAU | OAP | CAM | H11 | 60.7° | 60.0° |
| OAP | CAU | CAI | H12 | 2.4° | 0.0° |
| OAP | CAU | CAJ | H19 | 0.6° | 0.2° |
| CAM | OAP | CAU | CAI | 31.0° | 180.0° |
| OAP | CAM | CAL | H10 | 120.4° | 120.0° |
| OAP | CAM | CAL | H11 | 120.4° | 120.0° |
| OAP | CAM | CAL | H8 | 165.7° | 60.0° |
| OAP | CAM | CAL | H9 | 75.7° | 60.0° |
| OAP | CAM | H10 | H11 | 118.7° | 120.0° |
| CAK | CAY | NAO | CAW | 179.8° | 180.0° |
| CAK | CAY | NAO | H2 | 0.2° | 0.1° |
| CAY | NAO | CAW | H2 | 180.0° | 179.9° |
| CAY | NAO | CAW | CAQ | 178.9° | 180.0° |
| NAO | CAY | CAK | H3 | 0.5° | 0.1° |
| NAO | CAW | CAQ | OAC | 25.7° | 0.1° |
| CAW | CAQ | OAC | H1 | 178.3° | 180.0° |
| CAQ | CAW | NAO | H2 | 1.1° | 0.1° |
| CAU | CAI | CAR | CAV | 1.0° | 0.0° |
| CAU | CAI | CAR | H12 | 180.0° | 180.0° |
| CAU | CAI | CAR | CAA | 178.2° | 180.0° |
| CAI | CAU | CAJ | H19 | 174.5° | 180.0° |
| CAM | CAL | CAN | H6 | 156.9° | 60.0° |
| CAM | CAL | CAN | H7 | 39.1° | 60.0° |
| CAM | CAL | H8 | H9 | 118.0° | 120.0° |
| CAL | CAM | H10 | H11 | 118.8° | 120.0° |
| CL1 | CAV | CAR | CAI | 178.9° | 180.0° |
| CL1 | CAV | CAR | CAA | 0.3° | 0.0° |
| CAV | CAR | CAI | CAA | 179.2° | 180.0° |
| CAV | CAR | CAI | H12 | 179.0° | 180.0° |
| CAV | CAR | CAA | H13 | 90.5° | 90.0° |
| CAV | CAR | CAA | H14 | 149.5° | 30.0° |
| CAV | CAR | CAA | H15 | 29.5° | 150.0° |
| CAI | CAR | CAA | H13 | 90.4° | 90.0° |
| CAI | CAR | CAA | H14 | 29.6° | 150.0° |
| CAI | CAR | CAA | H15 | 149.6° | 30.0° |
| CAA | CAR | CAI | H12 | 1.8° | 0.0° |
| CAR | CAA | H13 | H14 | 120.0° | 120.0° |
| CAR | CAA | H13 | H15 | 120.0° | 120.0° |
| CAR | CAA | H14 | H15 | 120.0° | 120.0° |
| H4 | CAG | CAH | H5 | 0.3° | 0.0° |
| H6 | CAN | CAL | H8 | 82.5° | 180.0° |
| H6 | CAN | CAL | H9 | 36.2° | 60.0° |
| H7 | CAN | CAL | H8 | 159.8° | 60.0° |
| H7 | CAN | CAL | H9 | 81.6° | 180.0° |
| H8 | CAL | CAM | H10 | 73.9° | 180.0° |
| H8 | CAL | CAM | H11 | 45.3° | 60.0° |
| H9 | CAL | CAM | H10 | 44.8° | 60.0° |
| H9 | CAL | CAM | H11 | 163.9° | 180.0° |
| H13 | CAA | H14 | H15 | 120.0° | 120.0° |
| H16 | CAB | H17 | H18 | 120.0° | 120.0° |
