97Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAU | CAV | sing | 1.43Å | 1.45Å | |
| OAU | CAT | sing | 1.43Å | 1.42Å | |
| CAV | CAW | sing | 1.53Å | 1.54Å | |
| CAT | CAS | sing | 1.53Å | 1.52Å | |
| CAW | NAR | sing | 1.47Å | 1.49Å | |
| CAS | NAR | sing | 1.47Å | 1.49Å | |
| NAR | CAO | sing | 1.39Å | 1.34Å | |
| CAO | CAP | doub | 1.39Å | 1.41Å | Aromatic |
| CAO | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAL | doub | 1.40Å | 1.41Å | Aromatic |
| CAM | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | CAD | sing | 1.48Å | 1.40Å | |
| CAD | NAE | doub | 1.31Å | 1.34Å | |
| CAD | NAC | sing | 1.37Å | 1.39Å | |
| NAE | CAF | sing | 1.35Å | 1.33Å | |
| NAC | CAB | sing | 1.35Å | 1.37Å | |
| CAF | CAK | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.41Å | 1.41Å | Aromatic |
| CAK | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | CAG | sing | 1.47Å | 1.42Å | |
| CAB | OAA | doub | 1.22Å | 1.22Å | |
| CAG | CAH | doub | 1.39Å | 1.37Å | Aromatic |
| CAJ | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.42Å | Aromatic |
| CAS | H1 | sing | 1.09Å | 1.10Å | |
| CAS | H2 | sing | 1.09Å | 1.10Å | |
| CAT | H3 | sing | 1.09Å | 1.10Å | |
| CAT | H4 | sing | 1.09Å | 1.10Å | |
| CAV | H5 | sing | 1.09Å | 1.10Å | |
| CAV | H6 | sing | 1.09Å | 1.10Å | |
| CAW | H7 | sing | 1.09Å | 1.10Å | |
| CAW | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.08Å | 1.08Å | |
| CAQ | H10 | sing | 1.08Å | 1.08Å | |
| CAN | H11 | sing | 1.08Å | 1.08Å | |
| CAM | H12 | sing | 1.08Å | 1.08Å | |
| CAK | H13 | sing | 1.08Å | 1.08Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| CAI | H15 | sing | 1.08Å | 1.08Å | |
| CAH | H16 | sing | 1.08Å | 1.08Å | |
| NAC | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | OAU | CAT | 112.3° | 113.8° |
| OAU | CAV | CAW | 108.3° | 109.2° |
| OAU | CAV | H5 | 109.8° | 109.5° |
| OAU | CAV | H6 | 109.8° | 109.5° |
| OAU | CAT | CAS | 106.6° | 109.3° |
| OAU | CAT | H3 | 110.2° | 109.5° |
| OAU | CAT | H4 | 110.2° | 109.6° |
| CAV | CAW | NAR | 109.3° | 109.2° |
| CAW | CAV | H5 | 109.8° | 109.5° |
| CAW | CAV | H6 | 109.8° | 109.5° |
| CAV | CAW | H7 | 109.5° | 109.5° |
| CAV | CAW | H8 | 109.5° | 109.5° |
| CAT | CAS | NAR | 115.4° | 109.3° |
| CAT | CAS | H1 | 107.9° | 109.5° |
| CAT | CAS | H2 | 107.9° | 109.6° |
| CAS | CAT | H3 | 110.2° | 109.5° |
| CAS | CAT | H4 | 110.2° | 109.5° |
| CAW | NAR | CAS | 118.3° | 110.8° |
| CAW | NAR | CAO | 121.2° | 110.9° |
| NAR | CAW | H7 | 109.5° | 109.5° |
| NAR | CAW | H8 | 109.5° | 109.5° |
| CAS | NAR | CAO | 120.0° | 111.0° |
| NAR | CAS | H1 | 108.0° | 109.5° |
| NAR | CAS | H2 | 108.0° | 109.5° |
| NAR | CAO | CAP | 123.0° | 120.0° |
| NAR | CAO | CAN | 119.1° | 119.9° |
| CAP | CAO | CAN | 117.9° | 120.2° |
| CAO | CAP | CAQ | 121.2° | 120.1° |
| CAO | CAP | H9 | 119.4° | 119.9° |
| CAO | CAN | CAM | 120.8° | 120.0° |
| CAO | CAN | H11 | 119.6° | 120.0° |
| CAP | CAQ | CAL | 120.4° | 119.9° |
| CAQ | CAP | H9 | 119.4° | 120.0° |
| CAP | CAQ | H10 | 119.8° | 120.0° |
| CAN | CAM | CAL | 122.4° | 119.9° |
| CAM | CAN | H11 | 119.6° | 120.0° |
| CAN | CAM | H12 | 118.8° | 120.1° |
| CAQ | CAL | CAM | 117.1° | 119.9° |
| CAQ | CAL | CAD | 121.6° | 120.1° |
| CAL | CAQ | H10 | 119.8° | 120.1° |
| CAM | CAL | CAD | 120.8° | 120.0° |
| CAL | CAM | H12 | 118.8° | 120.0° |
| CAL | CAD | NAE | 119.0° | 118.5° |
| CAL | CAD | NAC | 122.4° | 118.5° |
| NAE | CAD | NAC | 118.5° | 123.0° |
| CAD | NAE | CAF | 121.7° | 121.7° |
| CAD | NAC | CAB | 122.4° | 120.5° |
| CAD | NAC | H17 | 118.8° | 119.7° |
| NAE | CAF | CAK | 118.4° | 121.5° |
| NAE | CAF | CAG | 122.0° | 119.2° |
| NAC | CAB | CAG | 118.2° | 117.5° |
| NAC | CAB | OAA | 117.8° | 121.3° |
| CAB | NAC | H17 | 118.8° | 119.8° |
| CAK | CAF | CAG | 119.6° | 119.3° |
| CAF | CAK | CAJ | 120.6° | 119.7° |
| CAF | CAK | H13 | 119.7° | 120.1° |
| CAF | CAG | CAB | 117.1° | 118.2° |
| CAF | CAG | CAH | 119.8° | 120.1° |
| CAK | CAJ | CAI | 119.8° | 120.8° |
| CAJ | CAK | H13 | 119.7° | 120.2° |
| CAK | CAJ | H14 | 120.1° | 119.6° |
| CAG | CAB | OAA | 123.9° | 121.3° |
| CAB | CAG | CAH | 123.1° | 121.8° |
| CAG | CAH | CAI | 120.6° | 119.5° |
| CAG | CAH | H16 | 119.7° | 120.2° |
| CAJ | CAI | CAH | 119.6° | 120.6° |
| CAI | CAJ | H14 | 120.1° | 119.6° |
| CAJ | CAI | H15 | 120.2° | 119.7° |
| CAH | CAI | H15 | 120.2° | 119.7° |
| CAI | CAH | H16 | 119.7° | 120.2° |
| H1 | CAS | H2 | 109.5° | 109.5° |
| H3 | CAT | H4 | 109.5° | 109.5° |
| H5 | CAV | H6 | 109.5° | 109.6° |
| H7 | CAW | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAU | CAV | CAW | H5 | 119.8° | 119.9° |
| OAU | CAV | CAW | H6 | 119.8° | 119.9° |
| CAV | OAU | CAT | CAS | 65.6° | 58.6° |
| OAU | CAV | CAW | NAR | 52.2° | 56.9° |
| CAV | OAU | CAT | H3 | 174.8° | 61.3° |
| CAV | OAU | CAT | H4 | 53.9° | 178.6° |
| OAU | CAV | H5 | H6 | 120.6° | 120.1° |
| OAU | CAV | CAW | H7 | 172.2° | 176.8° |
| OAU | CAV | CAW | H8 | 67.7° | 63.1° |
| CAT | OAU | CAV | CAW | 71.5° | 58.7° |
| OAU | CAT | CAS | H3 | 119.5° | 120.0° |
| OAU | CAT | CAS | H4 | 119.5° | 120.1° |
| OAU | CAT | CAS | NAR | 45.7° | 56.8° |
| OAU | CAT | CAS | H1 | 75.2° | 63.1° |
| OAU | CAT | CAS | H2 | 166.6° | 176.8° |
| OAU | CAT | H3 | H4 | 121.3° | 120.2° |
| CAT | OAU | CAV | H5 | 48.3° | 61.3° |
| CAT | OAU | CAV | H6 | 168.7° | 178.6° |
| CAV | CAW | NAR | H7 | 120.0° | 119.9° |
| CAV | CAW | NAR | H8 | 119.9° | 120.0° |
| CAV | CAW | NAR | CAS | 37.3° | 58.6° |
| CAV | CAW | NAR | CAO | 150.7° | 177.6° |
| CAW | CAV | H5 | H6 | 120.5° | 120.1° |
| CAV | CAW | H7 | H8 | 120.1° | 120.1° |
| CAT | CAS | NAR | CAW | 35.3° | 58.6° |
| CAT | CAS | NAR | H1 | 120.9° | 119.9° |
| CAT | CAS | NAR | H2 | 120.8° | 120.0° |
| CAT | CAS | NAR | CAO | 152.7° | 177.7° |
| CAT | CAS | H1 | H2 | 117.3° | 120.2° |
| CAS | CAT | H3 | H4 | 121.4° | 120.0° |
| CAW | NAR | CAS | CAO | 172.1° | 123.7° |
| CAW | NAR | CAO | CAP | 45.7° | 56.4° |
| CAW | NAR | CAO | CAN | 135.8° | 123.4° |
| CAW | NAR | CAS | H1 | 85.6° | 61.3° |
| CAW | NAR | CAS | H2 | 156.1° | 178.6° |
| NAR | CAW | CAV | H5 | 67.6° | 63.1° |
| NAR | CAW | CAV | H6 | 172.1° | 176.8° |
| NAR | CAW | H7 | H8 | 120.1° | 120.1° |
| CAS | NAR | CAO | CAP | 142.4° | 180.0° |
| CAS | NAR | CAO | CAN | 36.1° | 0.3° |
| NAR | CAS | H1 | H2 | 117.3° | 120.1° |
| NAR | CAS | CAT | H3 | 165.3° | 63.1° |
| NAR | CAS | CAT | H4 | 73.8° | 176.9° |
| CAS | NAR | CAW | H7 | 157.3° | 178.6° |
| CAS | NAR | CAW | H8 | 82.6° | 61.3° |
| NAR | CAO | CAP | CAN | 178.5° | 179.8° |
| NAR | CAO | CAP | CAQ | 179.1° | 180.0° |
| NAR | CAO | CAN | CAM | 179.4° | 180.0° |
| CAO | NAR | CAS | H1 | 86.5° | 62.4° |
| CAO | NAR | CAS | H2 | 31.8° | 57.6° |
| CAO | NAR | CAW | H7 | 30.7° | 57.7° |
| CAO | NAR | CAW | H8 | 89.4° | 62.4° |
| NAR | CAO | CAP | H9 | 0.9° | 0.0° |
| NAR | CAO | CAN | H11 | 0.6° | 0.0° |
| CAO | CAP | CAQ | H9 | 180.0° | 180.0° |
| CAP | CAO | CAN | CAM | 2.0° | 0.3° |
| CAO | CAP | CAQ | CAL | 0.1° | 0.1° |
| CAO | CAP | CAQ | H10 | 179.9° | 180.0° |
| CAP | CAO | CAN | H11 | 178.0° | 179.8° |
| CAN | CAO | CAP | CAQ | 2.4° | 0.2° |
| CAO | CAN | CAM | H11 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAL | 0.8° | 0.0° |
| CAN | CAO | CAP | H9 | 177.6° | 179.8° |
| CAO | CAN | CAM | H12 | 179.3° | 179.9° |
| CAP | CAQ | CAL | H10 | 180.0° | 179.9° |
| CAP | CAQ | CAL | CAM | 2.6° | 0.4° |
| CAP | CAQ | CAL | CAD | 175.4° | 180.0° |
| CAN | CAM | CAL | CAQ | 3.0° | 0.3° |
| CAN | CAM | CAL | H12 | 180.0° | 180.0° |
| CAN | CAM | CAL | CAD | 175.9° | 180.0° |
| CAQ | CAL | CAM | CAD | 172.9° | 179.6° |
| CAQ | CAL | CAD | NAE | 14.4° | 0.1° |
| CAQ | CAL | CAD | NAC | 169.4° | 179.7° |
| CAL | CAQ | CAP | H9 | 179.9° | 179.9° |
| CAQ | CAL | CAM | H12 | 177.0° | 179.6° |
| CAM | CAL | CAD | NAE | 158.2° | 179.7° |
| CAM | CAL | CAD | NAC | 18.0° | 0.1° |
| CAM | CAL | CAQ | H10 | 177.4° | 179.7° |
| CAL | CAM | CAN | H11 | 179.2° | 179.9° |
| CAL | CAD | NAE | NAC | 176.3° | 179.8° |
| CAL | CAD | NAE | CAF | 177.0° | 180.0° |
| CAL | CAD | NAC | CAB | 176.0° | 179.7° |
| CAD | CAL | CAQ | H10 | 4.5° | 0.1° |
| CAD | CAL | CAM | H12 | 4.1° | 0.0° |
| CAL | CAD | NAC | H17 | 4.0° | 0.0° |
| NAE | CAD | NAC | CAB | 0.2° | 0.5° |
| CAD | NAE | CAF | CAK | 179.2° | 179.9° |
| CAD | NAE | CAF | CAG | 1.9° | 0.1° |
| NAE | CAD | NAC | H17 | 179.8° | 179.8° |
| NAC | CAD | NAE | CAF | 0.6° | 0.2° |
| CAD | NAC | CAB | H17 | 180.0° | 179.7° |
| CAD | NAC | CAB | CAG | 0.1° | 0.5° |
| CAD | NAC | CAB | OAA | 176.3° | 179.8° |
| NAE | CAF | CAK | CAG | 179.0° | 180.0° |
| NAE | CAF | CAK | CAJ | 179.9° | 180.0° |
| NAE | CAF | CAG | CAB | 2.2° | 0.0° |
| NAE | CAF | CAG | CAH | 178.7° | 180.0° |
| NAE | CAF | CAK | H13 | 0.1° | 0.0° |
| NAC | CAB | CAG | CAF | 1.3° | 0.2° |
| NAC | CAB | CAG | OAA | 176.2° | 179.7° |
| NAC | CAB | CAG | CAH | 179.6° | 179.7° |
| CAF | CAK | CAJ | H13 | 180.0° | 180.0° |
| CAK | CAF | CAG | CAB | 178.9° | 180.0° |
| CAK | CAF | CAG | CAH | 0.2° | 0.0° |
| CAF | CAK | CAJ | CAI | 2.6° | 0.0° |
| CAF | CAK | CAJ | H14 | 177.4° | 180.0° |
| CAG | CAF | CAK | CAJ | 1.1° | 0.0° |
| CAF | CAG | CAB | CAH | 179.1° | 180.0° |
| CAF | CAG | CAB | OAA | 174.9° | 180.0° |
| CAF | CAG | CAH | CAI | 0.1° | 0.0° |
| CAG | CAF | CAK | H13 | 178.9° | 180.0° |
| CAF | CAG | CAH | H16 | 179.9° | 180.0° |
| CAK | CAJ | CAI | H14 | 180.0° | 180.0° |
| CAK | CAJ | CAI | CAH | 2.7° | 0.1° |
| CAK | CAJ | CAI | H15 | 177.4° | 180.0° |
| CAB | CAG | CAH | CAI | 178.9° | 180.0° |
| CAB | CAG | CAH | H16 | 1.1° | 0.0° |
| CAG | CAB | NAC | H17 | 179.8° | 179.8° |
| OAA | CAB | CAG | CAH | 4.2° | 0.0° |
| OAA | CAB | NAC | H17 | 3.8° | 0.0° |
| CAG | CAH | CAI | CAJ | 1.3° | 0.1° |
| CAG | CAH | CAI | H16 | 180.0° | 180.0° |
| CAG | CAH | CAI | H15 | 178.7° | 180.0° |
| CAJ | CAI | CAH | H15 | 180.0° | 179.9° |
| CAI | CAJ | CAK | H13 | 177.4° | 180.0° |
| CAJ | CAI | CAH | H16 | 178.7° | 180.0° |
| CAH | CAI | CAJ | H14 | 177.3° | 180.0° |
| H1 | CAS | CAT | H3 | 44.4° | 177.0° |
| H1 | CAS | CAT | H4 | 165.3° | 57.0° |
| H2 | CAS | CAT | H3 | 73.9° | 56.9° |
| H2 | CAS | CAT | H4 | 47.1° | 63.1° |
| H5 | CAV | CAW | H7 | 52.4° | 56.8° |
| H5 | CAV | CAW | H8 | 172.5° | 176.9° |
| H6 | CAV | CAW | H7 | 68.0° | 63.3° |
| H6 | CAV | CAW | H8 | 52.1° | 56.8° |
| H9 | CAP | CAQ | H10 | 0.1° | 0.0° |
| H11 | CAN | CAM | H12 | 0.7° | 0.1° |
| H13 | CAK | CAJ | H14 | 2.6° | 0.0° |
| H14 | CAJ | CAI | H15 | 2.7° | 0.0° |
| H15 | CAI | CAH | H16 | 1.3° | 0.0° |
