19G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAQ | doub | 1.22Å | 1.25Å | |
| OAD | CAQ | sing | 1.35Å | 1.26Å | |
| CAQ | CAW | sing | 1.47Å | 1.49Å | |
| CAW | S | sing | 1.76Å | 1.69Å | Aromatic |
| CAW | CAV | doub | 1.34Å | 1.42Å | Aromatic |
| S | CAX | sing | 1.76Å | 1.70Å | Aromatic |
| CAN | CAL | sing | 1.53Å | 1.50Å | |
| CAN | CAV | sing | 1.51Å | 1.49Å | |
| CAL | CAM | sing | 1.53Å | 1.50Å | |
| CAV | CAY | sing | 1.40Å | 1.44Å | Aromatic |
| CAX | CAY | doub | 1.40Å | 1.41Å | Aromatic |
| CAX | CAH | sing | 1.40Å | 1.39Å | Aromatic |
| CAY | CAI | sing | 1.42Å | 1.39Å | Aromatic |
| CAM | OAO | sing | 1.43Å | 1.38Å | |
| OAO | CAT | sing | 1.36Å | 1.37Å | |
| CAH | CAF | doub | 1.37Å | 1.39Å | Aromatic |
| CAI | CAG | doub | 1.36Å | 1.39Å | Aromatic |
| CAT | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAJ | sing | 1.39Å | 1.38Å | Aromatic |
| CAF | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAB | sing | 1.51Å | 1.50Å | |
| CAS | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAR | CAA | sing | 1.51Å | 1.50Å | |
| CAU | CL | sing | 1.74Å | 1.74Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAI | 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 | |
| CAJ | 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 | |
| CAK | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAQ | OAD | 120.4° | 120.0° |
| OAC | CAQ | CAW | 116.2° | 120.0° |
| OAD | CAQ | CAW | 123.4° | 120.0° |
| CAQ | OAD | H1 | 109.5° | 117.0° |
| CAQ | CAW | S | 123.2° | 124.7° |
| CAQ | CAW | CAV | 130.4° | 124.7° |
| S | CAW | CAV | 106.4° | 110.7° |
| CAW | S | CAX | 99.6° | 91.6° |
| CAW | CAV | CAN | 123.3° | 122.2° |
| CAW | CAV | CAY | 113.5° | 115.6° |
| S | CAX | CAY | 106.0° | 109.6° |
| S | CAX | CAH | 134.1° | 130.5° |
| CAL | CAN | CAV | 115.5° | 109.5° |
| CAN | CAL | CAM | 118.4° | 109.5° |
| CAL | CAN | H6 | 108.0° | 109.4° |
| CAL | CAN | H7 | 107.9° | 109.5° |
| CAN | CAL | H8 | 107.2° | 109.4° |
| CAN | CAL | H9 | 107.2° | 109.5° |
| CAN | CAV | CAY | 123.2° | 122.2° |
| CAV | CAN | H6 | 107.9° | 109.5° |
| CAV | CAN | H7 | 107.9° | 109.5° |
| CAL | CAM | OAO | 110.7° | 109.5° |
| CAM | CAL | H8 | 107.2° | 109.4° |
| CAM | CAL | H9 | 107.2° | 109.5° |
| CAL | CAM | H10 | 109.1° | 109.4° |
| CAL | CAM | H11 | 109.2° | 109.5° |
| CAV | CAY | CAX | 114.5° | 112.6° |
| CAV | CAY | CAI | 126.1° | 128.8° |
| CAY | CAX | CAH | 119.9° | 119.9° |
| CAX | CAY | CAI | 119.3° | 118.6° |
| CAX | CAH | CAF | 120.8° | 120.2° |
| CAX | CAH | H2 | 119.6° | 119.9° |
| CAY | CAI | CAG | 120.1° | 120.5° |
| CAY | CAI | H5 | 120.0° | 119.8° |
| CAM | OAO | CAT | 123.1° | 117.0° |
| OAO | CAM | H10 | 109.2° | 109.5° |
| OAO | CAM | H11 | 109.2° | 109.5° |
| OAO | CAT | CAK | 118.6° | 120.0° |
| OAO | CAT | CAJ | 120.6° | 120.1° |
| CAH | CAF | CAG | 119.1° | 120.2° |
| CAF | CAH | H2 | 119.6° | 119.9° |
| CAH | CAF | H3 | 120.5° | 119.9° |
| CAI | CAG | CAF | 120.8° | 120.7° |
| CAI | CAG | H4 | 119.6° | 119.7° |
| CAG | CAI | H5 | 119.9° | 119.7° |
| CAK | CAT | CAJ | 120.8° | 119.9° |
| CAT | CAK | CAS | 120.3° | 120.0° |
| CAT | CAK | H19 | 119.9° | 120.0° |
| CAT | CAJ | CAR | 118.7° | 120.0° |
| CAT | CAJ | H12 | 120.6° | 120.0° |
| CAG | CAF | H3 | 120.4° | 119.9° |
| CAF | CAG | H4 | 119.6° | 119.7° |
| CAK | CAS | CAB | 121.0° | 120.0° |
| CAK | CAS | CAU | 119.7° | 120.0° |
| CAS | CAK | H19 | 119.8° | 120.0° |
| CAJ | CAR | CAU | 121.3° | 120.0° |
| CAJ | CAR | CAA | 119.6° | 120.0° |
| CAR | CAJ | H12 | 120.6° | 120.0° |
| CAB | CAS | CAU | 119.3° | 120.0° |
| CAS | CAB | H16 | 109.5° | 109.5° |
| CAS | CAB | H17 | 109.5° | 109.5° |
| CAS | CAB | H18 | 109.5° | 109.5° |
| CAS | CAU | CAR | 119.2° | 120.1° |
| CAS | CAU | CL | 119.4° | 120.0° |
| CAU | CAR | CAA | 119.1° | 120.0° |
| CAR | CAU | CL | 121.3° | 119.9° |
| CAR | CAA | H13 | 109.5° | 109.5° |
| CAR | CAA | H14 | 109.4° | 109.5° |
| CAR | CAA | H15 | 109.5° | 109.4° |
| H6 | CAN | H7 | 109.4° | 109.5° |
| H8 | CAL | H9 | 109.5° | 109.5° |
| H10 | CAM | H11 | 109.5° | 109.5° |
| H13 | CAA | H14 | 109.5° | 109.5° |
| H13 | CAA | H15 | 109.5° | 109.4° |
| H14 | CAA | H15 | 109.5° | 109.5° |
| H16 | CAB | H17 | 109.5° | 109.5° |
| H16 | CAB | H18 | 109.4° | 109.5° |
| H17 | CAB | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAQ | OAD | CAW | 179.8° | 179.7° |
| OAC | CAQ | CAW | S | 25.9° | 180.0° |
| OAC | CAQ | CAW | CAV | 153.0° | 0.3° |
| OAC | CAQ | OAD | H1 | 0.0° | 0.0° |
| OAD | CAQ | CAW | S | 154.2° | 0.3° |
| OAD | CAQ | CAW | CAV | 26.9° | 179.5° |
| CAQ | CAW | S | CAV | 179.1° | 179.8° |
| CAQ | CAW | S | CAX | 179.2° | 180.0° |
| CAQ | CAW | CAV | CAN | 1.6° | 0.0° |
| CAQ | CAW | CAV | CAY | 179.1° | 179.8° |
| CAW | CAQ | OAD | H1 | 179.9° | 179.7° |
| S | CAW | CAV | CAN | 179.4° | 179.8° |
| S | CAW | CAV | CAY | 0.1° | 0.4° |
| CAW | S | CAX | CAY | 0.0° | 0.0° |
| CAW | S | CAX | CAH | 179.8° | 180.0° |
| CAV | CAW | S | CAX | 0.1° | 0.2° |
| CAW | CAV | CAN | CAL | 81.5° | 90.1° |
| CAW | CAV | CAN | CAY | 179.3° | 179.8° |
| CAW | CAV | CAY | CAX | 0.1° | 0.4° |
| CAW | CAV | CAY | CAI | 180.0° | 179.9° |
| CAW | CAV | CAN | H6 | 157.6° | 150.0° |
| CAW | CAV | CAN | H7 | 39.4° | 29.9° |
| S | CAX | CAY | CAV | 0.1° | 0.3° |
| S | CAX | CAY | CAH | 179.8° | 180.0° |
| S | CAX | CAY | CAI | 180.0° | 180.0° |
| S | CAX | CAH | CAF | 179.4° | 180.0° |
| S | CAX | CAH | H2 | 0.6° | 0.0° |
| CAL | CAN | CAV | H6 | 120.9° | 119.9° |
| CAL | CAN | CAV | H7 | 120.9° | 120.0° |
| CAN | CAL | CAM | H8 | 121.3° | 119.9° |
| CAN | CAL | CAM | H9 | 121.3° | 120.0° |
| CAL | CAN | CAV | CAY | 97.8° | 89.7° |
| CAN | CAL | CAM | OAO | 60.2° | 180.0° |
| CAL | CAN | H6 | H7 | 117.2° | 120.0° |
| CAN | CAL | H8 | H9 | 116.0° | 120.0° |
| CAN | CAL | CAM | H10 | 59.9° | 60.1° |
| CAN | CAL | CAM | H11 | 179.6° | 60.0° |
| CAV | CAN | CAL | CAM | 75.9° | 180.0° |
| CAN | CAV | CAY | CAX | 179.4° | 179.7° |
| CAN | CAV | CAY | CAI | 0.6° | 0.0° |
| CAV | CAN | H6 | H7 | 117.2° | 120.0° |
| CAV | CAN | CAL | H8 | 45.3° | 60.0° |
| CAV | CAN | CAL | H9 | 162.8° | 60.0° |
| CAL | CAM | OAO | H10 | 120.2° | 119.9° |
| CAL | CAM | OAO | H11 | 120.2° | 120.0° |
| CAL | CAM | OAO | CAT | 178.2° | 180.0° |
| CAM | CAL | CAN | H6 | 45.0° | 60.1° |
| CAM | CAL | CAN | H7 | 163.2° | 60.0° |
| CAM | CAL | H8 | H9 | 116.0° | 120.1° |
| CAL | CAM | H10 | H11 | 119.4° | 120.0° |
| CAV | CAY | CAX | CAI | 179.9° | 179.7° |
| CAV | CAY | CAX | CAH | 179.7° | 179.8° |
| CAV | CAY | CAI | CAG | 179.5° | 179.7° |
| CAV | CAY | CAI | H5 | 0.5° | 0.3° |
| CAY | CAV | CAN | H6 | 23.1° | 30.2° |
| CAY | CAV | CAN | H7 | 141.3° | 150.3° |
| CAY | CAX | CAH | CAF | 0.9° | 0.0° |
| CAX | CAY | CAI | CAG | 0.6° | 0.0° |
| CAY | CAX | CAH | H2 | 179.1° | 179.9° |
| CAX | CAY | CAI | H5 | 179.4° | 180.0° |
| CAH | CAX | CAY | CAI | 0.2° | 0.0° |
| CAX | CAH | CAF | H2 | 180.0° | 180.0° |
| CAX | CAH | CAF | CAG | 0.8° | 0.0° |
| CAX | CAH | CAF | H3 | 179.2° | 180.0° |
| CAY | CAI | CAG | H5 | 180.0° | 180.0° |
| CAY | CAI | CAG | CAF | 0.7° | 0.0° |
| CAY | CAI | CAG | H4 | 179.3° | 180.0° |
| CAM | OAO | CAT | CAK | 162.2° | 180.0° |
| CAM | OAO | CAT | CAJ | 17.3° | 0.3° |
| OAO | CAM | CAL | H8 | 178.5° | 60.0° |
| OAO | CAM | CAL | H9 | 61.0° | 60.0° |
| OAO | CAM | H10 | H11 | 119.5° | 120.0° |
| OAO | CAT | CAK | CAJ | 179.5° | 179.7° |
| OAO | CAT | CAK | CAS | 179.8° | 179.8° |
| OAO | CAT | CAJ | CAR | 179.8° | 180.0° |
| CAT | OAO | CAM | H10 | 58.1° | 60.0° |
| CAT | OAO | CAM | H11 | 61.6° | 60.1° |
| OAO | CAT | CAJ | H12 | 0.2° | 0.0° |
| OAO | CAT | CAK | H19 | 0.2° | 0.0° |
| CAH | CAF | CAG | CAI | 0.0° | 0.0° |
| CAH | CAF | CAG | H3 | 180.0° | 180.0° |
| CAH | CAF | CAG | H4 | 180.0° | 180.0° |
| CAI | CAG | CAF | H4 | 180.0° | 180.0° |
| CAI | CAG | CAF | H3 | 180.0° | 179.9° |
| CAT | CAK | CAS | H19 | 180.0° | 179.8° |
| CAK | CAT | CAJ | CAR | 0.3° | 0.2° |
| CAT | CAK | CAS | CAB | 179.4° | 179.8° |
| CAT | CAK | CAS | CAU | 0.6° | 0.5° |
| CAK | CAT | CAJ | H12 | 179.7° | 179.7° |
| CAJ | CAT | CAK | CAS | 0.6° | 0.5° |
| CAT | CAJ | CAR | H12 | 180.0° | 180.0° |
| CAT | CAJ | CAR | CAU | 0.1° | 0.0° |
| CAT | CAJ | CAR | CAA | 179.3° | 180.0° |
| CAJ | CAT | CAK | H19 | 179.4° | 179.7° |
| CAG | CAF | CAH | H2 | 179.2° | 180.0° |
| CAF | CAG | CAI | H5 | 179.3° | 180.0° |
| CAK | CAS | CAB | CAU | 180.0° | 179.7° |
| CAK | CAS | CAU | CAR | 0.2° | 0.3° |
| CAK | CAS | CAU | CL | 179.6° | 179.7° |
| CAK | CAS | CAB | H16 | 90.0° | 89.7° |
| CAK | CAS | CAB | H17 | 150.0° | 30.3° |
| CAK | CAS | CAB | H18 | 30.0° | 150.3° |
| CAJ | CAR | CAU | CAS | 0.1° | NaN° |
| CAJ | CAR | CAU | CAA | 179.2° | 180.0° |
| CAJ | CAR | CAU | CL | 179.9° | 180.0° |
| CAJ | CAR | CAA | H13 | 90.4° | 90.0° |
| CAJ | CAR | CAA | H14 | 149.6° | 150.0° |
| CAJ | CAR | CAA | H15 | 29.7° | 30.0° |
| CAB | CAS | CAU | CAR | 179.8° | 179.9° |
| CAB | CAS | CAU | CL | 0.4° | 0.0° |
| CAS | CAB | H16 | H17 | 120.0° | 120.0° |
| CAS | CAB | H16 | H18 | 120.0° | 120.0° |
| CAS | CAB | H17 | H18 | 120.0° | 120.0° |
| CAB | CAS | CAK | H19 | 0.6° | 0.0° |
| CAS | CAU | CAR | CL | 179.8° | 180.0° |
| CAS | CAU | CAR | CAA | 179.3° | 180.0° |
| CAU | CAS | CAB | H16 | 90.0° | 90.0° |
| CAU | CAS | CAB | H17 | 30.0° | 150.0° |
| CAU | CAS | CAB | H18 | 150.0° | 30.0° |
| CAU | CAS | CAK | H19 | 179.4° | 179.7° |
| CAU | CAR | CAJ | H12 | 179.9° | 180.0° |
| CAU | CAR | CAA | H13 | 90.4° | 90.0° |
| CAU | CAR | CAA | H14 | 29.6° | 30.0° |
| CAU | CAR | CAA | H15 | 149.6° | 150.1° |
| CAA | CAR | CAU | CL | 0.9° | 0.0° |
| CAA | CAR | CAJ | H12 | 0.7° | 0.0° |
| CAR | CAA | H13 | H14 | 120.0° | 120.0° |
| CAR | CAA | H13 | H15 | 120.0° | 119.9° |
| CAR | CAA | H14 | H15 | 120.0° | 120.0° |
| H2 | CAH | CAF | H3 | 0.8° | 0.0° |
| H3 | CAF | CAG | H4 | 0.1° | 0.0° |
| H4 | CAG | CAI | H5 | 0.7° | 0.0° |
| H6 | CAN | CAL | H8 | 166.2° | NaN° |
| H6 | CAN | CAL | H9 | 76.3° | 60.0° |
| H7 | CAN | CAL | H8 | 75.6° | 60.0° |
| H7 | CAN | CAL | H9 | 41.9° | 180.0° |
| H8 | CAL | CAM | H10 | 61.3° | 180.0° |
| H8 | CAL | CAM | H11 | 58.3° | 59.9° |
| H9 | CAL | CAM | H10 | 178.8° | 59.9° |
| H9 | CAL | CAM | H11 | 59.2° | 180.0° |
| H13 | CAA | H14 | H15 | 120.0° | 120.0° |
| H16 | CAB | H17 | H18 | 119.9° | 120.0° |
