DZ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.41Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAV | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAQ | sing | 1.51Å | 1.42Å | |
| CAQ | NBB | sing | 1.47Å | 1.49Å | |
| NBB | CAO | sing | 1.47Å | 1.47Å | |
| NBB | CAN | sing | 1.47Å | 1.51Å | |
| CAO | CAM | sing | 1.53Å | 1.48Å | |
| CAM | CBA | sing | 1.53Å | 1.53Å | |
| CAN | CAL | sing | 1.53Å | 1.56Å | |
| CAL | CBA | sing | 1.53Å | 1.48Å | |
| CBA | CAD | sing | 1.51Å | 1.56Å | |
| CAD | CAT | doub | 1.33Å | 1.36Å | |
| CAT | CAP | sing | 1.51Å | 1.37Å | |
| CAT | CAU | sing | 1.47Å | 1.35Å | |
| CAP | CAW | sing | 1.51Å | 1.37Å | |
| OAC | CAU | doub | 1.22Å | 1.23Å | |
| CAU | CAZ | sing | 1.48Å | 1.35Å | |
| CAW | CAZ | doub | 1.40Å | 1.35Å | Aromatic |
| CAW | CAJ | sing | 1.38Å | 1.35Å | Aromatic |
| CAZ | CAK | sing | 1.40Å | 1.35Å | Aromatic |
| CAJ | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | CAY | doub | 1.38Å | 1.40Å | Aromatic |
| CAX | CAY | sing | 1.39Å | 1.39Å | Aromatic |
| CAX | OAR | sing | 1.36Å | 1.38Å | |
| OAR | CAA | sing | 1.43Å | 1.46Å | |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAY | H2 | sing | 1.08Å | 1.08Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.08Å | 1.08Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAD | H8 | sing | 1.08Å | 1.08Å | |
| CBA | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAL | H15 | sing | 1.09Å | 1.10Å | |
| CAL | H16 | sing | 1.09Å | 1.10Å | |
| CAN | H17 | sing | 1.09Å | 1.10Å | |
| CAN | H18 | sing | 1.09Å | 1.10Å | |
| CAQ | H20 | sing | 1.09Å | 1.10Å | |
| CAQ | H21 | sing | 1.09Å | 1.10Å | |
| CAH | H22 | sing | 1.08Å | 1.08Å | |
| CAF | H23 | sing | 1.08Å | 1.08Å | |
| CAE | H24 | sing | 1.08Å | 1.08Å | |
| CAG | H25 | sing | 1.08Å | 1.08Å | |
| CAI | H26 | sing | 1.08Å | 1.08Å | |
| CAP | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAE | CAG | 119.9° | 120.1° |
| CAE | CAF | CAH | 118.6° | 120.0° |
| CAE | CAF | H23 | 120.7° | 120.0° |
| CAF | CAE | H24 | 120.0° | 120.0° |
| CAE | CAG | CAI | 121.6° | 120.0° |
| CAG | CAE | H24 | 120.0° | 119.9° |
| CAE | CAG | H25 | 119.2° | 120.1° |
| CAF | CAH | CAV | 121.9° | 120.0° |
| CAF | CAH | H22 | 119.1° | 120.0° |
| CAH | CAF | H23 | 120.7° | 120.0° |
| CAG | CAI | CAV | 117.9° | 120.0° |
| CAI | CAG | H25 | 119.2° | 120.0° |
| CAG | CAI | H26 | 121.0° | 120.0° |
| CAH | CAV | CAI | 120.0° | 120.0° |
| CAH | CAV | CAQ | 118.0° | 120.0° |
| CAV | CAH | H22 | 119.1° | 120.0° |
| CAI | CAV | CAQ | 122.1° | 120.0° |
| CAV | CAI | H26 | 121.0° | 120.0° |
| CAV | CAQ | NBB | 109.6° | 109.5° |
| CAV | CAQ | H20 | 109.4° | 109.5° |
| CAV | CAQ | H21 | 109.4° | 109.5° |
| CAQ | NBB | CAO | 113.6° | 111.0° |
| CAQ | NBB | CAN | 110.3° | 111.0° |
| NBB | CAQ | H20 | 109.5° | 109.5° |
| NBB | CAQ | H21 | 109.5° | 109.5° |
| CAO | NBB | CAN | 111.7° | 111.1° |
| NBB | CAO | CAM | 105.8° | 109.5° |
| NBB | CAO | H13 | 110.4° | 109.5° |
| NBB | CAO | H14 | 110.4° | 109.4° |
| NBB | CAN | CAL | 118.0° | 109.5° |
| NBB | CAN | H17 | 107.3° | 109.5° |
| NBB | CAN | H18 | 107.3° | 109.4° |
| CAO | CAM | CBA | 111.5° | 109.3° |
| CAO | CAM | H11 | 109.0° | 109.5° |
| CAO | CAM | H12 | 109.0° | 109.5° |
| CAM | CAO | H13 | 110.4° | 109.5° |
| CAM | CAO | H14 | 110.4° | 109.4° |
| CAM | CBA | CAL | 109.9° | 109.2° |
| CAM | CBA | CAD | 104.0° | 109.5° |
| CAM | CBA | H10 | 108.2° | 109.5° |
| CBA | CAM | H11 | 109.0° | 109.5° |
| CBA | CAM | H12 | 108.9° | 109.5° |
| CAN | CAL | CBA | 110.2° | 109.3° |
| CAN | CAL | H15 | 109.3° | 109.5° |
| CAN | CAL | H16 | 109.3° | 109.6° |
| CAL | CAN | H17 | 107.3° | 109.5° |
| CAL | CAN | H18 | 107.3° | 109.5° |
| CAL | CBA | CAD | 117.6° | 109.5° |
| CAL | CBA | H10 | 108.9° | 109.5° |
| CBA | CAL | H15 | 109.3° | 109.5° |
| CBA | CAL | H16 | 109.3° | 109.5° |
| CBA | CAD | CAT | 132.6° | 120.0° |
| CBA | CAD | H8 | 113.7° | 120.0° |
| CAD | CBA | H10 | 107.8° | 109.5° |
| CAD | CAT | CAP | 126.3° | 126.9° |
| CAD | CAT | CAU | 125.8° | 126.9° |
| CAT | CAD | H8 | 113.7° | 120.0° |
| CAP | CAT | CAU | 107.8° | 106.2° |
| CAT | CAP | CAW | 107.5° | 106.5° |
| CAT | CAP | H7 | 109.9° | 110.3° |
| CAT | CAP | H27 | 110.0° | 109.9° |
| CAT | CAU | OAC | 125.7° | 125.7° |
| CAT | CAU | CAZ | 108.6° | 108.5° |
| CAP | CAW | CAZ | 108.0° | 108.8° |
| CAP | CAW | CAJ | 132.4° | 131.1° |
| CAW | CAP | H7 | 110.0° | 110.1° |
| CAW | CAP | H27 | 110.0° | 110.0° |
| OAC | CAU | CAZ | 125.7° | 125.7° |
| CAU | CAZ | CAW | 108.2° | 109.9° |
| CAU | CAZ | CAK | 130.5° | 130.6° |
| CAZ | CAW | CAJ | 119.7° | 120.1° |
| CAW | CAZ | CAK | 121.3° | 119.5° |
| CAW | CAJ | CAX | 121.4° | 120.2° |
| CAW | CAJ | H6 | 119.3° | 119.9° |
| CAZ | CAK | CAY | 120.9° | 120.1° |
| CAZ | CAK | H1 | 119.5° | 120.0° |
| CAJ | CAX | CAY | 118.9° | 120.1° |
| CAJ | CAX | OAR | 121.9° | 120.0° |
| CAX | CAJ | H6 | 119.3° | 119.9° |
| CAK | CAY | CAX | 117.7° | 120.1° |
| CAY | CAK | H1 | 119.5° | 119.9° |
| CAK | CAY | H2 | 121.1° | 119.9° |
| CAY | CAX | OAR | 119.2° | 119.9° |
| CAX | CAY | H2 | 121.1° | 120.0° |
| CAX | OAR | CAA | 113.7° | 117.0° |
| OAR | CAA | H3 | 109.5° | 109.5° |
| OAR | CAA | H4 | 109.5° | 109.5° |
| OAR | CAA | H5 | 109.5° | 109.5° |
| H3 | CAA | H4 | 109.5° | 109.5° |
| H3 | CAA | H5 | 109.5° | 109.5° |
| H4 | CAA | H5 | 109.4° | 109.4° |
| H7 | CAP | H27 | 109.5° | 110.1° |
| H11 | CAM | H12 | 109.5° | 109.5° |
| H13 | CAO | H14 | 109.5° | 109.5° |
| H15 | CAL | H16 | 109.4° | 109.5° |
| H17 | CAN | H18 | 109.5° | 109.4° |
| H20 | CAQ | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAE | CAG | H24 | 180.0° | 179.9° |
| CAE | CAF | CAH | H23 | 180.0° | 179.9° |
| CAF | CAE | CAG | CAI | 0.3° | 0.3° |
| CAE | CAF | CAH | CAV | 0.3° | 0.1° |
| CAE | CAF | CAH | H22 | 179.7° | 180.0° |
| CAF | CAE | CAG | H25 | 179.6° | 179.9° |
| CAG | CAE | CAF | CAH | 0.5° | 0.0° |
| CAE | CAG | CAI | H25 | 180.0° | 179.8° |
| CAE | CAG | CAI | CAV | 0.1° | 0.6° |
| CAG | CAE | CAF | H23 | 179.5° | 179.9° |
| CAE | CAG | CAI | H26 | 179.9° | 180.0° |
| CAF | CAH | CAV | H22 | 180.0° | 180.0° |
| CAF | CAH | CAV | CAI | 0.1° | 0.4° |
| CAF | CAH | CAV | CAQ | 178.9° | 180.0° |
| CAH | CAF | CAE | H24 | 179.5° | 179.9° |
| CAG | CAI | CAV | CAH | 0.3° | 0.6° |
| CAG | CAI | CAV | H26 | 180.0° | 179.4° |
| CAG | CAI | CAV | CAQ | 178.6° | 179.7° |
| CAI | CAG | CAE | H24 | 179.7° | 179.8° |
| CAH | CAV | CAI | CAQ | 179.0° | 179.7° |
| CAH | CAV | CAQ | NBB | 81.4° | 90.0° |
| CAH | CAV | CAQ | H20 | 158.6° | 30.0° |
| CAH | CAV | CAQ | H21 | 38.7° | 150.0° |
| CAV | CAH | CAF | H23 | 179.7° | 180.0° |
| CAH | CAV | CAI | H26 | 179.7° | 180.0° |
| CAI | CAV | CAQ | NBB | 97.6° | 90.3° |
| CAI | CAV | CAQ | H20 | 22.4° | 149.7° |
| CAI | CAV | CAQ | H21 | 142.3° | 29.7° |
| CAI | CAV | CAH | H22 | 179.8° | 179.7° |
| CAV | CAI | CAG | H25 | 179.9° | 179.7° |
| CAV | CAQ | NBB | H20 | 120.0° | 120.0° |
| CAV | CAQ | NBB | H21 | 120.0° | 120.0° |
| CAV | CAQ | NBB | CAO | 77.5° | 170.0° |
| CAV | CAQ | NBB | CAN | 156.2° | 65.8° |
| CAV | CAQ | H20 | H21 | 119.9° | 120.0° |
| CAQ | CAV | CAH | H22 | 1.2° | 0.0° |
| CAQ | CAV | CAI | H26 | 1.3° | 0.3° |
| CAQ | NBB | CAO | CAN | 125.5° | 124.1° |
| CAQ | NBB | CAO | CAM | 177.5° | 174.2° |
| CAQ | NBB | CAN | CAL | 172.6° | 174.2° |
| CAQ | NBB | CAO | H13 | 58.1° | 65.8° |
| CAQ | NBB | CAO | H14 | 63.1° | 54.2° |
| CAQ | NBB | CAN | H17 | 51.4° | 54.1° |
| CAQ | NBB | CAN | H18 | 66.2° | 65.8° |
| NBB | CAQ | H20 | H21 | 120.0° | 120.0° |
| NBB | CAO | CAM | H13 | 119.4° | 120.0° |
| NBB | CAO | CAM | H14 | 119.4° | 119.9° |
| NBB | CAO | CAM | CBA | 69.1° | 59.2° |
| CAO | NBB | CAN | CAL | 45.2° | 61.7° |
| NBB | CAO | CAM | H11 | 51.2° | 179.1° |
| NBB | CAO | CAM | H12 | 170.6° | 60.8° |
| NBB | CAO | H13 | H14 | 121.7° | 120.0° |
| CAO | NBB | CAN | H17 | 76.0° | 178.2° |
| CAO | NBB | CAN | H18 | 166.5° | 58.3° |
| CAO | NBB | CAQ | H20 | 42.5° | 70.0° |
| CAO | NBB | CAQ | H21 | 162.4° | 50.0° |
| CAN | NBB | CAO | CAM | 56.9° | 61.8° |
| NBB | CAN | CAL | H17 | 121.2° | 120.1° |
| NBB | CAN | CAL | H18 | 121.3° | 120.0° |
| NBB | CAN | CAL | CBA | 39.2° | 59.1° |
| CAN | NBB | CAO | H13 | 176.3° | 58.3° |
| CAN | NBB | CAO | H14 | 62.5° | 178.3° |
| NBB | CAN | CAL | H15 | 159.3° | 60.8° |
| NBB | CAN | CAL | H16 | 80.9° | 179.1° |
| NBB | CAN | H17 | H18 | 116.2° | 119.9° |
| CAN | NBB | CAQ | H20 | 83.8° | 54.2° |
| CAN | NBB | CAQ | H21 | 36.1° | 174.2° |
| CAO | CAM | CBA | H11 | 120.3° | 119.9° |
| CAO | CAM | CBA | H12 | 120.3° | 120.0° |
| CAO | CAM | CBA | CAL | 65.4° | 57.7° |
| CAO | CAM | CBA | CAD | 167.9° | 177.6° |
| CAO | CAM | CBA | H10 | 53.4° | 62.3° |
| CAO | CAM | H11 | H12 | 119.1° | 120.1° |
| CAM | CAO | H13 | H14 | 121.7° | 120.0° |
| CAM | CBA | CAL | CAN | 46.2° | 57.6° |
| CAM | CBA | CAL | CAD | 118.6° | 119.9° |
| CAM | CBA | CAL | H10 | 118.4° | 120.0° |
| CAM | CBA | CAD | H10 | 114.7° | 120.1° |
| CAM | CBA | CAD | CAT | 131.2° | 120.1° |
| CAM | CBA | CAD | H8 | 48.8° | 59.9° |
| CBA | CAM | H11 | H12 | 119.0° | 120.1° |
| CBA | CAM | CAO | H13 | 171.5° | 60.8° |
| CBA | CAM | CAO | H14 | 50.4° | 179.1° |
| CAM | CBA | CAL | H15 | 166.3° | 62.3° |
| CAM | CBA | CAL | H16 | 73.9° | 177.7° |
| CAN | CAL | CBA | H15 | 120.1° | 119.9° |
| CAN | CAL | CBA | H16 | 120.1° | 120.0° |
| CAN | CAL | CBA | CAD | 164.8° | 177.5° |
| CAN | CAL | CBA | H10 | 72.2° | 62.4° |
| CAN | CAL | H15 | H16 | 119.7° | 120.1° |
| CAL | CAN | H17 | H18 | 116.2° | 120.0° |
| CAL | CBA | CAD | H10 | 123.6° | 120.1° |
| CAL | CBA | CAD | CAT | 9.5° | 120.1° |
| CAL | CBA | CAD | H8 | 170.5° | 59.9° |
| CAL | CBA | CAM | H11 | 55.0° | 177.5° |
| CAL | CBA | CAM | H12 | 174.3° | 62.3° |
| CBA | CAL | H15 | H16 | 119.6° | 120.1° |
| CBA | CAL | CAN | H17 | 82.0° | 179.2° |
| CBA | CAL | CAN | H18 | 160.4° | 60.8° |
| CBA | CAD | CAT | H8 | 180.0° | 180.0° |
| CBA | CAD | CAT | CAP | 0.1° | 0.0° |
| CBA | CAD | CAT | CAU | 179.3° | 179.6° |
| CAD | CBA | CAM | H11 | 71.8° | 62.5° |
| CAD | CBA | CAM | H12 | 47.6° | 57.6° |
| CAD | CBA | CAL | H15 | 75.0° | 57.6° |
| CAD | CBA | CAL | H16 | 44.7° | 62.4° |
| CAD | CAT | CAP | CAU | 179.5° | 179.6° |
| CAD | CAT | CAP | CAW | 179.5° | 179.9° |
| CAD | CAT | CAU | OAC | 0.2° | 0.3° |
| CAD | CAT | CAU | CAZ | 179.3° | 180.0° |
| CAD | CAT | CAP | H7 | 59.8° | 60.7° |
| CAT | CAD | CBA | H10 | 114.1° | 0.0° |
| CAD | CAT | CAP | H27 | 60.8° | 60.8° |
| CAT | CAP | CAW | H7 | 119.6° | 119.5° |
| CAT | CAP | CAW | H27 | 119.7° | 119.0° |
| CAP | CAT | CAU | OAC | 179.3° | 179.9° |
| CAP | CAT | CAU | CAZ | 0.2° | 0.4° |
| CAT | CAP | CAW | CAZ | 0.2° | 0.3° |
| CAT | CAP | CAW | CAJ | 178.7° | 179.7° |
| CAT | CAP | H7 | H27 | 120.9° | 121.4° |
| CAP | CAT | CAD | H8 | 179.9° | 180.0° |
| CAU | CAT | CAP | CAW | 0.0° | 0.4° |
| CAT | CAU | OAC | CAZ | 178.9° | 179.6° |
| CAT | CAU | CAZ | CAW | 0.3° | 0.2° |
| CAT | CAU | CAZ | CAK | 178.7° | 179.7° |
| CAU | CAT | CAP | H7 | 119.7° | 119.0° |
| CAU | CAT | CAD | H8 | 0.7° | 0.4° |
| CAU | CAT | CAP | H27 | 119.7° | 119.6° |
| CAP | CAW | CAZ | CAU | 0.3° | 0.0° |
| CAP | CAW | CAZ | CAJ | 178.7° | 180.0° |
| CAP | CAW | CAZ | CAK | 178.8° | 180.0° |
| CAP | CAW | CAJ | CAX | 179.2° | 179.9° |
| CAP | CAW | CAJ | H6 | 0.8° | 0.1° |
| CAW | CAP | H7 | H27 | 120.9° | 121.4° |
| OAC | CAU | CAZ | CAW | 179.4° | 179.9° |
| OAC | CAU | CAZ | CAK | 0.4° | 0.1° |
| CAU | CAZ | CAW | CAK | 179.1° | 180.0° |
| CAU | CAZ | CAW | CAJ | 179.0° | 180.0° |
| CAU | CAZ | CAK | CAY | 179.9° | 180.0° |
| CAU | CAZ | CAK | H1 | 0.1° | 0.0° |
| CAZ | CAW | CAJ | CAX | 0.9° | 0.1° |
| CAW | CAZ | CAK | CAY | 1.2° | 0.0° |
| CAW | CAZ | CAK | H1 | 178.8° | 179.9° |
| CAZ | CAW | CAJ | H6 | 179.1° | 179.9° |
| CAZ | CAW | CAP | H7 | 119.5° | 119.2° |
| CAZ | CAW | CAP | H27 | 119.9° | 119.3° |
| CAJ | CAW | CAZ | CAK | 0.1° | 0.0° |
| CAW | CAJ | CAX | H6 | 180.0° | 179.8° |
| CAW | CAJ | CAX | CAY | 0.4° | 0.1° |
| CAW | CAJ | CAX | OAR | 178.4° | 180.0° |
| CAJ | CAW | CAP | H7 | 59.0° | 60.8° |
| CAJ | CAW | CAP | H27 | 61.6° | 60.7° |
| CAZ | CAK | CAY | H1 | 180.0° | 179.9° |
| CAZ | CAK | CAY | CAX | 1.6° | 0.0° |
| CAZ | CAK | CAY | H2 | 178.3° | 179.9° |
| CAJ | CAX | CAY | CAK | 0.9° | 0.1° |
| CAJ | CAX | CAY | OAR | 178.8° | 179.9° |
| CAJ | CAX | OAR | CAA | 169.4° | 179.9° |
| CAJ | CAX | CAY | H2 | 179.1° | 180.0° |
| CAK | CAY | CAX | H2 | 180.0° | 179.9° |
| CAK | CAY | CAX | OAR | 179.7° | 180.0° |
| CAY | CAX | OAR | CAA | 11.8° | 0.0° |
| CAX | CAY | CAK | H1 | 178.3° | 180.0° |
| CAY | CAX | CAJ | H6 | 179.6° | 179.9° |
| OAR | CAX | CAY | H2 | 0.3° | 0.1° |
| CAX | OAR | CAA | H3 | 180.0° | 180.0° |
| CAX | OAR | CAA | H4 | 60.0° | 60.0° |
| CAX | OAR | CAA | H5 | 60.0° | 60.0° |
| OAR | CAX | CAJ | H6 | 1.6° | 0.2° |
| OAR | CAA | H3 | H4 | 120.0° | 120.0° |
| OAR | CAA | H3 | H5 | 120.0° | 120.1° |
| OAR | CAA | H4 | H5 | 120.0° | 120.0° |
| H1 | CAK | CAY | H2 | 1.7° | 0.1° |
| H3 | CAA | H4 | H5 | 120.0° | 120.0° |
| H8 | CAD | CBA | H10 | 65.9° | 180.0° |
| H10 | CBA | CAM | H11 | 173.8° | 57.6° |
| H10 | CBA | CAM | H12 | 66.9° | 177.7° |
| H10 | CBA | CAL | H15 | 48.0° | 177.7° |
| H10 | CBA | CAL | H16 | 167.7° | 57.7° |
| H11 | CAM | CAO | H13 | 68.2° | 59.1° |
| H11 | CAM | CAO | H14 | 170.7° | 60.9° |
| H12 | CAM | CAO | H13 | 51.2° | 179.2° |
| H12 | CAM | CAO | H14 | 69.9° | 59.2° |
| H15 | CAL | CAN | H17 | 38.1° | 59.2° |
| H15 | CAL | CAN | H18 | 79.4° | 179.2° |
| H16 | CAL | CAN | H17 | 157.9° | 60.8° |
| H16 | CAL | CAN | H18 | 40.3° | 59.2° |
| H22 | CAH | CAF | H23 | 0.2° | 0.1° |
| H23 | CAF | CAE | H24 | 0.5° | 0.2° |
| H24 | CAE | CAG | H25 | 0.4° | 0.0° |
| H25 | CAG | CAI | H26 | 0.0° | 0.2° |
