16Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAA | sing | 1.43Å | 1.49Å | |
| OAD | CAG | sing | 1.43Å | 1.44Å | |
| CAA | CAG | sing | 1.55Å | 1.56Å | |
| CAA | CAF | sing | 1.55Å | 1.49Å | |
| CAG | CAE | sing | 1.54Å | 1.53Å | |
| CAE | NAH | sing | 1.47Å | 1.50Å | |
| CAE | CAJ | sing | 1.51Å | 1.44Å | |
| NAH | CAF | sing | 1.48Å | 1.45Å | |
| NAH | CAI | sing | 1.47Å | 1.47Å | |
| CAB | CAF | sing | 1.53Å | 1.51Å | |
| CAO | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAN | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | OAP | sing | 1.36Å | 1.37Å | |
| OAP | CAQ | sing | 1.43Å | 1.48Å | |
| CAQ | H1 | sing | 1.09Å | 1.10Å | |
| CAQ | H2 | sing | 1.09Å | 1.10Å | |
| CAQ | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.08Å | 1.08Å | |
| CAO | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| OAD | H10 | sing | 0.97Å | 0.95Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| OAC | H12 | sing | 0.97Å | 0.95Å | |
| CAF | H13 | sing | 1.09Å | 1.10Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAI | H18 | sing | 1.09Å | 1.10Å | |
| CAI | H19 | sing | 1.09Å | 1.10Å | |
| CAI | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAA | CAG | 112.4° | 111.0° |
| OAC | CAA | CAF | 113.7° | 111.0° |
| OAC | CAA | H11 | 110.3° | 110.9° |
| CAA | OAC | H12 | 109.5° | 114.0° |
| OAD | CAG | CAA | 115.7° | 110.8° |
| OAD | CAG | CAE | 108.9° | 110.7° |
| OAD | CAG | H9 | 111.5° | 110.7° |
| CAG | OAD | H10 | 109.5° | 114.0° |
| CAG | CAA | CAF | 100.3° | 101.6° |
| CAA | CAG | CAE | 100.2° | 103.0° |
| CAA | CAG | H9 | 109.7° | 110.7° |
| CAG | CAA | H11 | 109.4° | 111.0° |
| CAA | CAF | NAH | 98.0° | 104.8° |
| CAA | CAF | CAB | 110.9° | 110.3° |
| CAF | CAA | H11 | 110.3° | 111.0° |
| CAA | CAF | H13 | 110.2° | 110.4° |
| CAG | CAE | NAH | 103.5° | 107.3° |
| CAG | CAE | CAJ | 116.1° | 109.9° |
| CAG | CAE | H8 | 107.2° | 110.0° |
| CAE | CAG | H9 | 110.2° | 110.7° |
| NAH | CAE | CAJ | 113.6° | 109.9° |
| CAE | NAH | CAF | 109.0° | 108.6° |
| CAE | NAH | CAI | 118.0° | 111.0° |
| NAH | CAE | H8 | 107.6° | 109.9° |
| CAE | CAJ | CAO | 118.5° | 119.9° |
| CAE | CAJ | CAK | 123.0° | 119.9° |
| CAJ | CAE | H8 | 108.4° | 109.8° |
| CAF | NAH | CAI | 112.4° | 111.0° |
| NAH | CAF | CAB | 116.4° | 110.5° |
| NAH | CAF | H13 | 110.8° | 110.4° |
| NAH | CAI | H18 | 109.5° | 109.5° |
| NAH | CAI | H19 | 109.5° | 109.5° |
| NAH | CAI | H20 | 109.5° | 109.5° |
| CAB | CAF | H13 | 109.9° | 110.3° |
| CAF | CAB | H14 | 109.5° | 109.5° |
| CAF | CAB | H15 | 109.5° | 109.5° |
| CAF | CAB | H16 | 109.5° | 109.5° |
| CAJ | CAO | CAN | 120.3° | 120.0° |
| CAO | CAJ | CAK | 118.5° | 120.1° |
| CAJ | CAO | H5 | 119.9° | 120.0° |
| CAO | CAN | CAM | 120.8° | 119.9° |
| CAO | CAN | H4 | 119.6° | 120.0° |
| CAN | CAO | H5 | 119.8° | 120.0° |
| CAJ | CAK | CAL | 121.6° | 120.0° |
| CAJ | CAK | H7 | 119.2° | 119.9° |
| CAN | CAM | CAL | 119.9° | 119.9° |
| CAN | CAM | OAP | 117.0° | 120.0° |
| CAM | CAN | H4 | 119.6° | 120.1° |
| CAK | CAL | CAM | 118.9° | 119.9° |
| CAK | CAL | H6 | 120.6° | 120.0° |
| CAL | CAK | H7 | 119.2° | 120.0° |
| CAL | CAM | OAP | 123.1° | 120.1° |
| CAM | CAL | H6 | 120.5° | 120.1° |
| CAM | OAP | CAQ | 119.8° | 117.0° |
| OAP | CAQ | H1 | 109.5° | 109.5° |
| OAP | CAQ | H2 | 109.5° | 109.5° |
| OAP | CAQ | H3 | 109.4° | 109.5° |
| H1 | CAQ | H2 | 109.5° | 109.5° |
| H1 | CAQ | H3 | 109.5° | 109.4° |
| H2 | CAQ | H3 | 109.5° | 109.5° |
| H14 | CAB | H15 | 109.5° | 109.5° |
| H14 | CAB | H16 | 109.5° | 109.5° |
| H15 | CAB | H16 | 109.4° | 109.4° |
| H18 | CAI | H19 | 109.5° | 109.4° |
| H18 | CAI | H20 | 109.4° | 109.5° |
| H19 | CAI | H20 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAA | CAG | OAD | 41.8° | 36.0° |
| OAC | CAA | CAG | CAF | 121.1° | 118.1° |
| OAC | CAA | CAG | H11 | 122.9° | 123.8° |
| OAC | CAA | CAF | H11 | 124.5° | 123.9° |
| OAC | CAA | CAG | CAE | 75.1° | 82.4° |
| OAC | CAA | CAF | NAH | 67.7° | 81.0° |
| OAC | CAA | CAF | CAB | 54.7° | 37.9° |
| OAC | CAA | CAG | H9 | 169.0° | 159.2° |
| OAC | CAA | CAF | H13 | 176.6° | 160.2° |
| OAD | CAG | CAA | CAE | 116.9° | 118.4° |
| OAD | CAG | CAA | H9 | 127.2° | 123.2° |
| OAD | CAG | CAA | CAF | 162.9° | 154.1° |
| OAD | CAG | CAE | H9 | 122.6° | 123.1° |
| OAD | CAG | CAE | NAH | 142.9° | 140.8° |
| OAD | CAG | CAE | CAJ | 92.0° | 99.8° |
| OAD | CAG | CAE | H8 | 29.3° | 21.3° |
| OAD | CAG | CAA | H11 | 81.1° | 87.9° |
| CAG | CAA | CAF | H11 | 115.3° | 118.0° |
| CAA | CAG | CAE | H9 | 115.6° | 118.4° |
| CAA | CAG | CAE | NAH | 21.0° | 22.3° |
| CAA | CAG | CAE | CAJ | 146.2° | 141.7° |
| CAG | CAA | CAF | NAH | 52.5° | 37.1° |
| CAG | CAA | CAF | CAB | 174.9° | 156.0° |
| CAA | CAG | CAE | H8 | 92.5° | 97.2° |
| CAA | CAG | OAD | H10 | 180.0° | 66.3° |
| CAG | CAA | OAC | H12 | 180.0° | 61.4° |
| CAG | CAA | CAF | H13 | 63.2° | 81.7° |
| CAF | CAA | CAG | CAE | 46.0° | 35.7° |
| CAA | CAF | NAH | CAE | 40.5° | 24.1° |
| CAA | CAF | NAH | CAB | 118.2° | 118.9° |
| CAA | CAF | NAH | H13 | 115.3° | 118.8° |
| CAA | CAF | NAH | CAI | 173.2° | 146.4° |
| CAA | CAF | CAB | H13 | 122.1° | 122.3° |
| CAF | CAA | CAG | H9 | 69.9° | 82.7° |
| CAF | CAA | OAC | H12 | 66.9° | 173.7° |
| CAA | CAF | CAB | H14 | 180.0° | 60.0° |
| CAA | CAF | CAB | H15 | 60.0° | 180.0° |
| CAA | CAF | CAB | H16 | 60.0° | 60.0° |
| CAG | CAE | NAH | CAJ | 126.7° | 119.4° |
| CAG | CAE | NAH | H8 | 113.3° | 119.6° |
| CAG | CAE | CAJ | H8 | 120.7° | 121.2° |
| CAG | CAE | NAH | CAF | 11.6° | 1.0° |
| CAG | CAE | NAH | CAI | 141.3° | 123.3° |
| CAG | CAE | CAJ | CAO | 141.3° | 51.0° |
| CAG | CAE | CAJ | CAK | 40.8° | 128.7° |
| CAE | CAG | OAD | H10 | 68.1° | 180.0° |
| CAE | CAG | CAA | H11 | 162.0° | 153.7° |
| NAH | CAE | CAJ | H8 | 119.5° | 121.0° |
| CAE | NAH | CAF | CAI | 132.7° | 122.3° |
| CAE | NAH | CAF | CAB | 158.7° | 142.9° |
| NAH | CAE | CAJ | CAO | 98.8° | 66.8° |
| NAH | CAE | CAJ | CAK | 79.0° | 113.5° |
| NAH | CAE | CAG | H9 | 94.5° | 96.1° |
| CAE | NAH | CAF | H13 | 74.7° | 94.7° |
| CAE | NAH | CAI | H18 | 180.0° | 51.7° |
| CAE | NAH | CAI | H19 | 60.0° | 171.7° |
| CAE | NAH | CAI | H20 | 60.0° | 68.3° |
| CAJ | CAE | NAH | CAF | 115.1° | 118.4° |
| CAJ | CAE | NAH | CAI | 14.6° | 3.9° |
| CAE | CAJ | CAO | CAK | 177.9° | 179.7° |
| CAE | CAJ | CAO | CAN | 178.8° | 180.0° |
| CAE | CAJ | CAK | CAL | 178.5° | 179.7° |
| CAE | CAJ | CAO | H5 | 1.2° | 0.0° |
| CAE | CAJ | CAK | H7 | 1.5° | 0.3° |
| CAJ | CAE | CAG | H9 | 30.6° | 23.4° |
| NAH | CAF | CAB | H13 | 127.0° | 122.3° |
| CAF | NAH | CAE | H8 | 124.9° | 120.6° |
| NAH | CAF | CAA | H11 | 167.8° | 155.1° |
| NAH | CAF | CAB | H14 | 69.1° | 175.5° |
| NAH | CAF | CAB | H15 | 50.9° | 64.6° |
| NAH | CAF | CAB | H16 | 170.8° | 55.4° |
| CAF | NAH | CAI | H18 | 51.9° | 172.6° |
| CAF | NAH | CAI | H19 | 68.1° | 67.5° |
| CAF | NAH | CAI | H20 | 171.9° | 52.6° |
| CAI | NAH | CAF | CAB | 68.6° | 94.8° |
| CAI | NAH | CAE | H8 | 105.4° | 117.1° |
| CAI | NAH | CAF | H13 | 57.9° | 27.5° |
| NAH | CAI | H18 | H19 | 120.0° | 120.0° |
| NAH | CAI | H18 | H20 | 120.0° | 120.0° |
| NAH | CAI | H19 | H20 | 120.0° | 120.0° |
| CAB | CAF | CAA | H11 | 69.9° | 85.9° |
| CAF | CAB | H14 | H15 | 120.0° | 120.0° |
| CAF | CAB | H14 | H16 | 120.0° | 120.1° |
| CAF | CAB | H15 | H16 | 120.0° | 120.0° |
| CAJ | CAO | CAN | H5 | 180.0° | 179.9° |
| CAJ | CAO | CAN | CAM | 1.1° | 0.1° |
| CAO | CAJ | CAK | CAL | 0.7° | 0.6° |
| CAJ | CAO | CAN | H4 | 178.9° | 180.0° |
| CAO | CAJ | CAK | H7 | 179.3° | 180.0° |
| CAO | CAJ | CAE | H8 | 20.7° | 172.2° |
| CAN | CAO | CAJ | CAK | 0.9° | 0.3° |
| CAO | CAN | CAM | H4 | 180.0° | 179.9° |
| CAO | CAN | CAM | CAL | 1.0° | 0.1° |
| CAO | CAN | CAM | OAP | 179.3° | 179.8° |
| CAJ | CAK | CAL | H7 | 180.0° | 179.4° |
| CAJ | CAK | CAL | CAM | 0.6° | 0.6° |
| CAK | CAJ | CAO | H5 | 179.1° | 179.7° |
| CAJ | CAK | CAL | H6 | 179.4° | 179.5° |
| CAK | CAJ | CAE | H8 | 161.5° | 7.5° |
| CAN | CAM | CAL | CAK | 0.7° | 0.4° |
| CAN | CAM | CAL | OAP | 179.6° | 179.7° |
| CAN | CAM | OAP | CAQ | 166.9° | 0.3° |
| CAM | CAN | CAO | H5 | 178.9° | 180.0° |
| CAN | CAM | CAL | H6 | 179.3° | 179.7° |
| CAK | CAL | CAM | H6 | 180.0° | 179.9° |
| CAK | CAL | CAM | OAP | 179.6° | 180.0° |
| CAL | CAM | OAP | CAQ | 13.5° | 179.9° |
| CAL | CAM | CAN | H4 | 179.0° | 180.0° |
| CAM | CAL | CAK | H7 | 179.4° | 180.0° |
| CAM | OAP | CAQ | H1 | 180.0° | 60.0° |
| CAM | OAP | CAQ | H2 | 60.0° | 60.0° |
| CAM | OAP | CAQ | H3 | 60.0° | 180.0° |
| OAP | CAM | CAN | H4 | 0.7° | 0.3° |
| OAP | CAM | CAL | H6 | 0.3° | 0.1° |
| OAP | CAQ | H1 | H2 | 120.0° | 120.0° |
| OAP | CAQ | H1 | H3 | 120.0° | 120.0° |
| OAP | CAQ | H2 | H3 | 120.0° | 120.0° |
| H1 | CAQ | H2 | H3 | 120.0° | 119.9° |
| H4 | CAN | CAO | H5 | 1.1° | 0.1° |
| H6 | CAL | CAK | H7 | 0.6° | 0.1° |
| H8 | CAE | CAG | H9 | 151.9° | 144.4° |
| H9 | CAG | OAD | H10 | 53.7° | 56.9° |
| H9 | CAG | CAA | H11 | 46.1° | 35.3° |
| H11 | CAA | OAC | H12 | 57.6° | 62.4° |
| H11 | CAA | CAF | H13 | 52.1° | 36.3° |
| H13 | CAF | CAB | H14 | 57.9° | 62.2° |
| H13 | CAF | CAB | H15 | 177.9° | 57.7° |
| H13 | CAF | CAB | H16 | 62.1° | 177.7° |
| H14 | CAB | H15 | H16 | 120.0° | 120.0° |
| H18 | CAI | H19 | H20 | 120.0° | 120.0° |
