ZJ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | NAO | sing | 1.46Å | 1.50Å | |
| OAR | CAN | doub | 1.22Å | 1.25Å | |
| NAO | CAN | sing | 1.35Å | 1.35Å | |
| NAO | CAQ | sing | 1.47Å | 1.46Å | |
| CAN | CAM | sing | 1.47Å | 1.44Å | |
| CAL | CAM | doub | 1.40Å | 1.37Å | Aromatic |
| CAL | CAK | sing | 1.37Å | 1.36Å | Aromatic |
| CAM | CAI | sing | 1.40Å | 1.43Å | Aromatic |
| CAK | CAG | doub | 1.40Å | 1.43Å | Aromatic |
| CAI | OAJ | sing | 1.36Å | 1.34Å | |
| CAI | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAH | sing | 1.40Å | 1.38Å | Aromatic |
| CAG | CAF | sing | 1.48Å | 1.36Å | |
| OAE | CAF | sing | 1.35Å | 1.32Å | Aromatic |
| OAE | NAD | sing | 1.21Å | 1.45Å | Aromatic |
| CAF | CAS | doub | 1.37Å | 1.37Å | Aromatic |
| NAD | CAC | doub | 1.31Å | 1.27Å | Aromatic |
| CAS | CAC | sing | 1.42Å | 1.37Å | Aromatic |
| CAC | CAB | sing | 1.48Å | 1.41Å | |
| CAB | NAT | sing | 1.35Å | 1.38Å | |
| CAB | OAA | doub | 1.21Å | 1.26Å | |
| NAT | CAU | sing | 1.46Å | 1.45Å | |
| CAW | CAX | doub | 1.38Å | 1.41Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.37Å | Aromatic |
| CAX | CAY | sing | 1.38Å | 1.38Å | Aromatic |
| CAU | CAV | sing | 1.51Å | 1.41Å | |
| CAU | CBC | sing | 1.54Å | 1.48Å | |
| CAV | CBA | doub | 1.38Å | 1.36Å | Aromatic |
| CAY | CAZ | doub | 1.38Å | 1.39Å | Aromatic |
| CBC | CBB | sing | 1.54Å | 1.54Å | |
| CBA | CAZ | sing | 1.39Å | 1.36Å | Aromatic |
| CBA | CBB | sing | 1.51Å | 1.44Å | |
| CBC | H1 | sing | 1.09Å | 1.10Å | |
| CBC | H2 | sing | 1.09Å | 1.10Å | |
| CBB | H3 | sing | 1.09Å | 1.10Å | |
| CBB | H4 | sing | 1.09Å | 1.10Å | |
| CAZ | H5 | sing | 1.08Å | 1.08Å | |
| CAY | H6 | sing | 1.08Å | 1.08Å | |
| CAX | H7 | sing | 1.08Å | 1.08Å | |
| CAW | H8 | sing | 1.08Å | 1.08Å | |
| CAU | H9 | sing | 1.09Å | 1.10Å | |
| NAT | H10 | sing | 0.97Å | 1.00Å | |
| CAS | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| OAJ | H13 | sing | 0.97Å | 0.95Å | |
| CAK | H14 | sing | 1.08Å | 1.08Å | |
| CAL | H15 | sing | 1.08Å | 1.08Å | |
| CAQ | H16 | sing | 1.09Å | 1.10Å | |
| CAQ | H17 | sing | 1.09Å | 1.10Å | |
| CAQ | H18 | sing | 1.09Å | 1.10Å | |
| CAP | H19 | sing | 1.09Å | 1.10Å | |
| CAP | H20 | sing | 1.09Å | 1.10Å | |
| CAP | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | NAO | CAN | 116.7° | 120.0° |
| CAP | NAO | CAQ | 121.1° | 120.0° |
| NAO | CAP | H19 | 109.5° | 109.5° |
| NAO | CAP | H20 | 109.5° | 109.5° |
| NAO | CAP | H21 | 109.5° | 109.4° |
| OAR | CAN | NAO | 121.0° | 120.0° |
| OAR | CAN | CAM | 118.9° | 120.0° |
| CAN | NAO | CAQ | 122.3° | 120.0° |
| NAO | CAN | CAM | 120.2° | 120.0° |
| NAO | CAQ | H16 | 109.5° | 109.5° |
| NAO | CAQ | H17 | 109.4° | 109.4° |
| NAO | CAQ | H18 | 109.5° | 109.4° |
| CAN | CAM | CAL | 119.9° | 120.0° |
| CAN | CAM | CAI | 124.4° | 120.0° |
| CAM | CAL | CAK | 124.9° | 120.2° |
| CAL | CAM | CAI | 115.6° | 119.9° |
| CAM | CAL | H15 | 117.6° | 119.9° |
| CAL | CAK | CAG | 119.5° | 120.3° |
| CAL | CAK | H14 | 120.3° | 119.9° |
| CAK | CAL | H15 | 117.5° | 119.9° |
| CAM | CAI | OAJ | 115.2° | 120.1° |
| CAM | CAI | CAH | 120.3° | 119.7° |
| CAK | CAG | CAH | 116.5° | 120.1° |
| CAK | CAG | CAF | 120.6° | 119.9° |
| CAG | CAK | H14 | 120.3° | 119.8° |
| OAJ | CAI | CAH | 124.5° | 120.1° |
| CAI | OAJ | H13 | 109.5° | 114.0° |
| CAI | CAH | CAG | 122.9° | 119.8° |
| CAI | CAH | H12 | 118.6° | 120.1° |
| CAH | CAG | CAF | 122.7° | 120.0° |
| CAG | CAH | H12 | 118.6° | 120.1° |
| CAG | CAF | OAE | 123.0° | 126.8° |
| CAG | CAF | CAS | 134.0° | 126.9° |
| CAF | OAE | NAD | 111.2° | 111.7° |
| OAE | CAF | CAS | 103.0° | 106.4° |
| OAE | NAD | CAC | 105.4° | 111.8° |
| CAF | CAS | CAC | 111.5° | 103.8° |
| CAF | CAS | H11 | 124.2° | 128.0° |
| NAD | CAC | CAS | 108.9° | 106.3° |
| NAD | CAC | CAB | 120.6° | 126.9° |
| CAS | CAC | CAB | 130.4° | 126.8° |
| CAC | CAS | H11 | 124.3° | 128.1° |
| CAC | CAB | NAT | 116.2° | 120.0° |
| CAC | CAB | OAA | 124.6° | 120.0° |
| NAT | CAB | OAA | 119.2° | 120.0° |
| CAB | NAT | CAU | 127.8° | 120.0° |
| CAB | NAT | H10 | 116.1° | 120.0° |
| NAT | CAU | CAV | 117.7° | 110.3° |
| NAT | CAU | CBC | 118.1° | 110.3° |
| NAT | CAU | H9 | 102.9° | 110.4° |
| CAU | NAT | H10 | 116.1° | 120.1° |
| CAX | CAW | CAV | 120.3° | 120.2° |
| CAW | CAX | CAY | 118.1° | 119.9° |
| CAW | CAX | H7 | 121.0° | 120.1° |
| CAX | CAW | H8 | 119.9° | 119.9° |
| CAW | CAV | CAU | 130.3° | 130.4° |
| CAW | CAV | CBA | 120.7° | 119.9° |
| CAV | CAW | H8 | 119.8° | 119.9° |
| CAX | CAY | CAZ | 120.1° | 120.0° |
| CAX | CAY | H6 | 119.9° | 120.1° |
| CAY | CAX | H7 | 121.0° | 120.0° |
| CAV | CAU | CBC | 109.5° | 105.2° |
| CAU | CAV | CBA | 108.9° | 109.7° |
| CAV | CAU | H9 | 103.3° | 110.3° |
| CAU | CBC | CBB | 102.0° | 102.4° |
| CAU | CBC | H1 | 111.3° | 110.8° |
| CAU | CBC | H2 | 111.3° | 111.0° |
| CBC | CAU | H9 | 102.6° | 110.3° |
| CAV | CBA | CAZ | 120.1° | 119.8° |
| CAV | CBA | CBB | 111.7° | 109.8° |
| CAY | CAZ | CBA | 120.7° | 120.2° |
| CAY | CAZ | H5 | 119.7° | 120.0° |
| CAZ | CAY | H6 | 119.9° | 120.0° |
| CBC | CBB | CBA | 104.8° | 105.2° |
| CBB | CBC | H1 | 111.3° | 110.8° |
| CBB | CBC | H2 | 111.3° | 110.8° |
| CBC | CBB | H3 | 110.6° | 110.3° |
| CBC | CBB | H4 | 110.6° | 110.3° |
| CAZ | CBA | CBB | 128.2° | 130.4° |
| CBA | CAZ | H5 | 119.7° | 119.8° |
| CBA | CBB | H3 | 110.6° | 110.3° |
| CBA | CBB | H4 | 110.6° | 110.4° |
| H1 | CBC | H2 | 109.5° | 110.7° |
| H3 | CBB | H4 | 109.5° | 110.2° |
| H16 | CAQ | H17 | 109.4° | 109.5° |
| H16 | CAQ | H18 | 109.5° | 109.5° |
| H17 | CAQ | H18 | 109.5° | 109.5° |
| H19 | CAP | H20 | 109.5° | 109.5° |
| H19 | CAP | H21 | 109.5° | 109.5° |
| H20 | CAP | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | NAO | CAN | OAR | 1.0° | 175.9° |
| CAP | NAO | CAN | CAQ | 179.0° | 180.0° |
| CAP | NAO | CAN | CAM | 178.7° | 4.0° |
| CAP | NAO | CAQ | H16 | 180.0° | 90.0° |
| CAP | NAO | CAQ | H17 | 60.0° | 30.0° |
| CAP | NAO | CAQ | H18 | 60.0° | 150.0° |
| NAO | CAP | H19 | H20 | 120.0° | 120.0° |
| NAO | CAP | H19 | H21 | 120.0° | 120.0° |
| NAO | CAP | H20 | H21 | 120.0° | 120.0° |
| OAR | CAN | NAO | CAM | 179.7° | 180.0° |
| OAR | CAN | NAO | CAQ | 179.9° | 4.1° |
| OAR | CAN | CAM | CAL | 107.8° | 124.7° |
| OAR | CAN | CAM | CAI | 70.1° | 56.2° |
| NAO | CAN | CAM | CAL | 71.9° | 55.2° |
| NAO | CAN | CAM | CAI | 110.2° | 123.9° |
| CAN | NAO | CAQ | H16 | 1.0° | 90.0° |
| CAN | NAO | CAQ | H17 | 121.0° | 150.0° |
| CAN | NAO | CAQ | H18 | 119.0° | 30.0° |
| CAN | NAO | CAP | H19 | 180.0° | 5.6° |
| CAN | NAO | CAP | H20 | 60.0° | 114.4° |
| CAN | NAO | CAP | H21 | 60.0° | 125.6° |
| CAQ | NAO | CAN | CAM | 0.4° | 175.9° |
| NAO | CAQ | H16 | H17 | 120.0° | 120.0° |
| NAO | CAQ | H16 | H18 | 120.0° | 120.0° |
| NAO | CAQ | H17 | H18 | 120.0° | 120.0° |
| CAQ | NAO | CAP | H19 | 1.0° | 174.3° |
| CAQ | NAO | CAP | H20 | 121.0° | 65.7° |
| CAQ | NAO | CAP | H21 | 119.0° | 54.3° |
| CAN | CAM | CAL | CAI | 178.1° | 179.1° |
| CAN | CAM | CAL | CAK | 175.3° | 180.0° |
| CAN | CAM | CAI | OAJ | 2.0° | 0.3° |
| CAN | CAM | CAI | CAH | 177.4° | 179.7° |
| CAN | CAM | CAL | H15 | 4.7° | 0.9° |
| CAM | CAL | CAK | H15 | 180.0° | 179.1° |
| CAM | CAL | CAK | CAG | 6.1° | 0.5° |
| CAL | CAM | CAI | OAJ | 180.0° | 179.4° |
| CAL | CAM | CAI | CAH | 0.6° | 0.6° |
| CAM | CAL | CAK | H14 | 173.9° | 179.4° |
| CAK | CAL | CAM | CAI | 2.8° | 0.9° |
| CAL | CAK | CAG | H14 | 180.0° | 179.9° |
| CAL | CAK | CAG | CAH | 6.8° | 0.1° |
| CAL | CAK | CAG | CAF | 178.0° | 179.7° |
| CAM | CAI | OAJ | CAH | 179.4° | 180.0° |
| CAM | CAI | CAH | CAG | 1.8° | 0.0° |
| CAM | CAI | CAH | H12 | 178.2° | 180.0° |
| CAM | CAI | OAJ | H13 | 180.0° | 90.0° |
| CAI | CAM | CAL | H15 | 177.2° | 180.0° |
| CAK | CAG | CAH | CAI | 4.8° | 0.4° |
| CAK | CAG | CAH | CAF | 175.2° | 179.6° |
| CAK | CAG | CAF | OAE | 11.0° | 179.6° |
| CAK | CAG | CAF | CAS | 169.9° | 0.4° |
| CAK | CAG | CAH | H12 | 175.2° | 179.7° |
| CAG | CAK | CAL | H15 | 173.9° | 179.6° |
| OAJ | CAI | CAH | CAG | 178.8° | 180.0° |
| OAJ | CAI | CAH | H12 | 1.2° | 0.0° |
| CAI | CAH | CAG | H12 | 180.0° | 180.0° |
| CAI | CAH | CAG | CAF | 180.0° | 180.0° |
| CAH | CAI | OAJ | H13 | 0.6° | 90.0° |
| CAH | CAG | CAF | OAE | 163.9° | 0.0° |
| CAH | CAG | CAF | CAS | 15.1° | 180.0° |
| CAH | CAG | CAK | H14 | 173.2° | 180.0° |
| CAG | CAF | OAE | CAS | 179.3° | 180.0° |
| CAG | CAF | OAE | NAD | 179.5° | 180.0° |
| CAG | CAF | CAS | CAC | 179.6° | 179.9° |
| CAG | CAF | CAS | H11 | 0.3° | 0.1° |
| CAF | CAG | CAH | H12 | 0.0° | 0.1° |
| CAF | CAG | CAK | H14 | 2.1° | 0.4° |
| CAF | OAE | NAD | CAC | 1.7° | 0.2° |
| OAE | CAF | CAS | CAC | 0.4° | 0.2° |
| OAE | CAF | CAS | H11 | 179.5° | 179.8° |
| NAD | OAE | CAF | CAS | 1.2° | 0.0° |
| OAE | NAD | CAC | CAS | 1.3° | 0.3° |
| OAE | NAD | CAC | CAB | 176.6° | 180.0° |
| CAF | CAS | CAC | NAD | 0.6° | 0.3° |
| CAF | CAS | CAC | H11 | 180.0° | 180.0° |
| CAF | CAS | CAC | CAB | 177.0° | 180.0° |
| NAD | CAC | CAS | CAB | 177.7° | 179.7° |
| NAD | CAC | CAB | NAT | 25.1° | 0.3° |
| NAD | CAC | CAB | OAA | 156.9° | 179.6° |
| NAD | CAC | CAS | H11 | 179.4° | 179.8° |
| CAS | CAC | CAB | NAT | 152.4° | 180.0° |
| CAS | CAC | CAB | OAA | 25.7° | 0.0° |
| CAC | CAB | NAT | OAA | 178.1° | 180.0° |
| CAC | CAB | NAT | CAU | 171.4° | 180.0° |
| CAC | CAB | NAT | H10 | 8.6° | 0.0° |
| CAB | CAC | CAS | H11 | 2.9° | 0.0° |
| CAB | NAT | CAU | H10 | 180.0° | 180.0° |
| CAB | NAT | CAU | CAV | 144.1° | 86.5° |
| CAB | NAT | CAU | CBC | 80.8° | 157.8° |
| CAB | NAT | CAU | H9 | 31.3° | 35.7° |
| OAA | CAB | NAT | CAU | 6.7° | 0.1° |
| OAA | CAB | NAT | H10 | 173.3° | 180.0° |
| NAT | CAU | CAV | CAW | 28.0° | 43.9° |
| NAT | CAU | CAV | CBC | 138.6° | 118.9° |
| NAT | CAU | CAV | H9 | 112.6° | 122.2° |
| NAT | CAU | CBC | H9 | 112.3° | 122.2° |
| NAT | CAU | CAV | CBA | 148.4° | 136.0° |
| NAT | CAU | CBC | CBB | 154.7° | 145.2° |
| NAT | CAU | CBC | H1 | 35.9° | 96.5° |
| NAT | CAU | CBC | H2 | 86.5° | 26.9° |
| CAX | CAW | CAV | H8 | 180.0° | 180.0° |
| CAW | CAX | CAY | H7 | 180.0° | 180.0° |
| CAX | CAW | CAV | CAU | 176.6° | 180.0° |
| CAX | CAW | CAV | CBA | 0.6° | 0.0° |
| CAW | CAX | CAY | CAZ | 1.9° | 0.0° |
| CAW | CAX | CAY | H6 | 178.2° | 180.0° |
| CAV | CAW | CAX | CAY | 1.0° | 0.0° |
| CAW | CAV | CAU | CBA | 176.4° | 180.0° |
| CAW | CAV | CAU | CBC | 166.6° | 162.8° |
| CAW | CAV | CBA | CAZ | 1.2° | 0.1° |
| CAW | CAV | CBA | CBB | 178.6° | 180.0° |
| CAV | CAW | CAX | H7 | 179.0° | 180.0° |
| CAW | CAV | CAU | H9 | 84.6° | 78.3° |
| CAX | CAY | CAZ | H6 | 180.0° | 180.0° |
| CAX | CAY | CAZ | CBA | 1.3° | 0.0° |
| CAX | CAY | CAZ | H5 | 178.7° | 180.0° |
| CAY | CAX | CAW | H8 | 179.0° | 180.0° |
| CAV | CAU | CBC | H9 | 109.2° | 118.9° |
| CAV | CAU | CBC | CBB | 16.2° | 26.3° |
| CAU | CAV | CBA | CAZ | 178.0° | 180.0° |
| CAU | CAV | CBA | CBB | 1.8° | 0.0° |
| CAV | CAU | CBC | H1 | 102.6° | 144.5° |
| CAV | CAU | CBC | H2 | 135.0° | 92.0° |
| CAU | CAV | CAW | H8 | 3.4° | 0.0° |
| CAV | CAU | NAT | H10 | 35.9° | 93.5° |
| CBC | CAU | CAV | CBA | 9.8° | 17.2° |
| CAU | CBC | CBB | H1 | 118.8° | 118.2° |
| CAU | CBC | CBB | H2 | 118.8° | 118.4° |
| CAU | CBC | CBB | CBA | 16.5° | 26.3° |
| CAU | CBC | H1 | H2 | 123.5° | 123.6° |
| CAU | CBC | CBB | H3 | 135.8° | 145.3° |
| CAU | CBC | CBB | H4 | 102.7° | 92.7° |
| CBC | CAU | NAT | H10 | 99.2° | 22.2° |
| CAV | CBA | CAZ | CAY | 0.3° | 0.1° |
| CAV | CBA | CBB | CBC | 12.1° | 17.2° |
| CAV | CBA | CAZ | CBB | 179.8° | 180.0° |
| CAV | CBA | CBB | H3 | 131.3° | 136.1° |
| CAV | CBA | CBB | H4 | 107.2° | 101.8° |
| CAV | CBA | CAZ | H5 | 179.7° | 180.0° |
| CBA | CAV | CAW | H8 | 179.4° | 180.0° |
| CBA | CAV | CAU | H9 | 99.0° | 101.7° |
| CAY | CAZ | CBA | H5 | 180.0° | 179.9° |
| CAY | CAZ | CBA | CBB | 179.5° | 180.0° |
| CAZ | CAY | CAX | H7 | 178.1° | 180.0° |
| CBC | CBB | CBA | CAZ | 167.8° | 162.8° |
| CBC | CBB | CBA | H3 | 119.3° | 119.0° |
| CBC | CBB | CBA | H4 | 119.3° | 119.0° |
| CBB | CBC | H1 | H2 | 123.4° | 123.4° |
| CBC | CBB | H3 | H4 | 122.2° | 122.0° |
| CBB | CBC | CAU | H9 | 93.0° | 92.6° |
| CAZ | CBA | CBB | H3 | 48.5° | 43.9° |
| CAZ | CBA | CBB | H4 | 72.9° | 78.2° |
| CBA | CAZ | CAY | H6 | 178.7° | 180.0° |
| CBA | CBB | CBC | H1 | 102.3° | 144.6° |
| CBA | CBB | CBC | H2 | 135.3° | 92.1° |
| CBA | CBB | H3 | H4 | 122.1° | 122.2° |
| CBB | CBA | CAZ | H5 | 0.4° | 0.0° |
| H1 | CBC | CBB | H3 | 17.0° | 96.5° |
| H1 | CBC | CBB | H4 | 138.5° | 25.5° |
| H1 | CBC | CAU | H9 | 148.2° | 25.7° |
| H2 | CBC | CBB | H3 | 105.4° | 26.9° |
| H2 | CBC | CBB | H4 | 16.1° | 148.9° |
| H2 | CBC | CAU | H9 | 25.8° | 149.1° |
| H5 | CAZ | CAY | H6 | 1.3° | 0.1° |
| H6 | CAY | CAX | H7 | 1.9° | 0.0° |
| H7 | CAX | CAW | H8 | 1.0° | 0.0° |
| H9 | CAU | NAT | H10 | 148.7° | 144.3° |
| H14 | CAK | CAL | H15 | 6.1° | 0.3° |
| H16 | CAQ | H17 | H18 | 120.0° | 120.0° |
| H19 | CAP | H20 | H21 | 120.0° | 120.0° |
