94Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NBB | CAJ | sing | 1.35Å | 1.31Å | |
| OAI | CAJ | doub | 1.22Å | 1.14Å | |
| CAJ | CAK | sing | 1.48Å | 1.33Å | |
| CAK | CAL | doub | 1.40Å | 1.35Å | Aromatic |
| CAK | CAA | sing | 1.40Å | 1.41Å | Aromatic |
| CAL | CAM | sing | 1.39Å | 1.35Å | Aromatic |
| CAA | CAB | doub | 1.38Å | 1.40Å | Aromatic |
| NAN | CAM | sing | 1.40Å | 1.29Å | |
| NAN | CAO | sing | 1.35Å | 1.27Å | |
| CAM | CAC | doub | 1.39Å | 1.42Å | Aromatic |
| CAP | CAO | sing | 1.51Å | 1.40Å | |
| CAP | CAQ | sing | 1.53Å | 1.43Å | |
| CAO | OAD | doub | 1.21Å | 1.18Å | |
| CAQ | CAR | sing | 1.51Å | 1.43Å | |
| CAB | CAC | sing | 1.38Å | 1.38Å | Aromatic |
| OBC | CAR | doub | 1.21Å | 1.22Å | |
| CAR | NAS | sing | 1.35Å | 1.35Å | |
| NAS | CAT | sing | 1.47Å | 1.47Å | |
| NAS | CAE | sing | 1.47Å | 1.45Å | |
| CAT | CAU | sing | 1.53Å | 1.52Å | |
| CAE | CAF | sing | 1.53Å | 1.57Å | |
| CAU | NAV | sing | 1.47Å | 1.50Å | |
| CAF | NAV | sing | 1.47Å | 1.51Å | |
| NAV | CAW | sing | 1.40Å | 1.38Å | |
| CAG | CAW | doub | 1.39Å | 1.42Å | Aromatic |
| CAG | CAH | sing | 1.38Å | 1.42Å | Aromatic |
| CAW | CAX | sing | 1.39Å | 1.41Å | Aromatic |
| CAH | CAZ | doub | 1.38Å | 1.41Å | Aromatic |
| CAX | CAY | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CAZ | FBA | sing | 1.35Å | 1.21Å | |
| CAG | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAY | H3 | sing | 1.08Å | 1.08Å | |
| CAX | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.09Å | 1.10Å | |
| CAF | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.09Å | 1.10Å | |
| CAE | H8 | sing | 1.09Å | 1.10Å | |
| CAU | H9 | sing | 1.09Å | 1.10Å | |
| CAU | H10 | sing | 1.09Å | 1.10Å | |
| CAT | H11 | sing | 1.09Å | 1.10Å | |
| CAT | H12 | sing | 1.09Å | 1.10Å | |
| CAQ | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å | |
| NAN | H17 | sing | 0.97Å | 1.00Å | |
| CAL | H18 | sing | 1.08Å | 1.08Å | |
| CAC | H19 | sing | 1.08Å | 1.08Å | |
| CAB | H20 | sing | 1.08Å | 1.08Å | |
| CAA | H21 | sing | 1.08Å | 1.08Å | |
| NBB | H22 | sing | 0.97Å | 1.00Å | |
| NBB | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NBB | CAJ | OAI | 122.7° | 120.0° |
| NBB | CAJ | CAK | 121.5° | 120.0° |
| CAJ | NBB | H22 | 120.0° | 120.0° |
| CAJ | NBB | H23 | 120.0° | 120.0° |
| OAI | CAJ | CAK | 115.8° | 120.0° |
| CAJ | CAK | CAL | 117.9° | 120.1° |
| CAJ | CAK | CAA | 123.2° | 120.1° |
| CAL | CAK | CAA | 118.9° | 119.8° |
| CAK | CAL | CAM | 120.6° | 119.8° |
| CAK | CAL | H18 | 119.7° | 120.1° |
| CAK | CAA | CAB | 121.0° | 120.0° |
| CAK | CAA | H21 | 119.5° | 120.0° |
| CAL | CAM | NAN | 105.7° | 120.0° |
| CAL | CAM | CAC | 122.9° | 120.0° |
| CAM | CAL | H18 | 119.7° | 120.1° |
| CAA | CAB | CAC | 119.5° | 120.2° |
| CAA | CAB | H20 | 120.3° | 119.9° |
| CAB | CAA | H21 | 119.5° | 120.0° |
| CAM | NAN | CAO | 127.2° | 120.0° |
| NAN | CAM | CAC | 131.3° | 120.0° |
| CAM | NAN | H17 | 116.4° | 120.0° |
| NAN | CAO | CAP | 108.5° | 120.0° |
| NAN | CAO | OAD | 129.1° | 120.0° |
| CAO | NAN | H17 | 116.4° | 120.0° |
| CAM | CAC | CAB | 117.0° | 120.2° |
| CAM | CAC | H19 | 121.5° | 119.8° |
| CAO | CAP | CAQ | 119.8° | 109.5° |
| CAP | CAO | OAD | 122.3° | 119.9° |
| CAO | CAP | H15 | 106.8° | 109.5° |
| CAO | CAP | H16 | 106.8° | 109.4° |
| CAP | CAQ | CAR | 128.6° | 109.5° |
| CAP | CAQ | H13 | 104.5° | 109.5° |
| CAP | CAQ | H14 | 104.5° | 109.4° |
| CAQ | CAP | H15 | 106.8° | 109.5° |
| CAQ | CAP | H16 | 106.9° | 109.4° |
| CAQ | CAR | OBC | 102.6° | 120.0° |
| CAQ | CAR | NAS | 133.1° | 120.0° |
| CAR | CAQ | H13 | 104.5° | 109.5° |
| CAR | CAQ | H14 | 104.5° | 109.4° |
| CAB | CAC | H19 | 121.5° | 119.9° |
| CAC | CAB | H20 | 120.3° | 119.9° |
| OBC | CAR | NAS | 123.5° | 120.0° |
| CAR | NAS | CAT | 117.2° | 120.9° |
| CAR | NAS | CAE | 129.8° | 120.9° |
| CAT | NAS | CAE | 113.0° | 118.2° |
| NAS | CAT | CAU | 100.8° | 108.6° |
| NAS | CAT | H11 | 111.6° | 109.6° |
| NAS | CAT | H12 | 111.6° | 109.8° |
| NAS | CAE | CAF | 114.1° | 108.5° |
| NAS | CAE | H7 | 108.3° | 109.6° |
| NAS | CAE | H8 | 108.3° | 109.8° |
| CAT | CAU | NAV | 111.5° | 109.3° |
| CAT | CAU | H9 | 108.9° | 109.5° |
| CAT | CAU | H10 | 109.0° | 109.5° |
| CAU | CAT | H11 | 111.6° | 109.6° |
| CAU | CAT | H12 | 111.6° | 109.6° |
| CAE | CAF | NAV | 114.0° | 109.4° |
| CAE | CAF | H5 | 108.3° | 109.5° |
| CAE | CAF | H6 | 108.4° | 109.5° |
| CAF | CAE | H7 | 108.3° | 109.7° |
| CAF | CAE | H8 | 108.3° | 109.6° |
| CAU | NAV | CAF | 120.4° | 111.3° |
| CAU | NAV | CAW | 120.4° | 111.0° |
| NAV | CAU | H9 | 109.0° | 109.5° |
| NAV | CAU | H10 | 109.0° | 109.4° |
| CAF | NAV | CAW | 119.1° | 111.0° |
| NAV | CAF | H5 | 108.3° | 109.5° |
| NAV | CAF | H6 | 108.3° | 109.5° |
| NAV | CAW | CAG | 122.3° | 120.1° |
| NAV | CAW | CAX | 121.2° | 120.0° |
| CAW | CAG | CAH | 121.2° | 119.9° |
| CAG | CAW | CAX | 116.5° | 119.9° |
| CAW | CAG | H1 | 119.4° | 120.0° |
| CAG | CAH | CAZ | 120.4° | 120.1° |
| CAH | CAG | H1 | 119.4° | 120.0° |
| CAG | CAH | H2 | 119.8° | 119.9° |
| CAW | CAX | CAY | 123.0° | 119.9° |
| CAW | CAX | H4 | 118.5° | 120.1° |
| CAH | CAZ | CAY | 119.4° | 120.1° |
| CAH | CAZ | FBA | 122.3° | 120.0° |
| CAZ | CAH | H2 | 119.8° | 120.0° |
| CAX | CAY | CAZ | 119.6° | 120.1° |
| CAX | CAY | H3 | 120.2° | 119.9° |
| CAY | CAX | H4 | 118.5° | 120.0° |
| CAY | CAZ | FBA | 118.3° | 120.0° |
| CAZ | CAY | H3 | 120.2° | 120.0° |
| H5 | CAF | H6 | 109.5° | 109.5° |
| H7 | CAE | H8 | 109.5° | 109.6° |
| H9 | CAU | H10 | 109.4° | 109.5° |
| H11 | CAT | H12 | 109.5° | 109.6° |
| H13 | CAQ | H14 | 109.4° | 109.5° |
| H15 | CAP | H16 | 109.5° | 109.5° |
| H22 | NBB | H23 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NBB | CAJ | OAI | CAK | 177.7° | 179.8° |
| NBB | CAJ | CAK | CAL | 37.6° | 180.0° |
| NBB | CAJ | CAK | CAA | 141.9° | 0.2° |
| CAJ | NBB | H22 | H23 | 180.0° | 180.0° |
| OAI | CAJ | CAK | CAL | 144.7° | 0.1° |
| OAI | CAJ | CAK | CAA | 35.8° | 180.0° |
| OAI | CAJ | NBB | H22 | 0.0° | 179.9° |
| OAI | CAJ | NBB | H23 | 180.0° | 0.1° |
| CAJ | CAK | CAL | CAA | 179.5° | 179.9° |
| CAJ | CAK | CAL | CAM | 177.9° | 179.9° |
| CAJ | CAK | CAA | CAB | 178.9° | 179.7° |
| CAJ | CAK | CAL | H18 | 2.1° | 0.1° |
| CAJ | CAK | CAA | H21 | 1.1° | 0.1° |
| CAK | CAJ | NBB | H22 | 177.5° | 0.1° |
| CAK | CAJ | NBB | H23 | 2.5° | 180.0° |
| CAK | CAL | CAM | H18 | 180.0° | 180.0° |
| CAL | CAK | CAA | CAB | 0.6° | 0.1° |
| CAK | CAL | CAM | NAN | 176.8° | 180.0° |
| CAK | CAL | CAM | CAC | 0.9° | 0.2° |
| CAL | CAK | CAA | H21 | 179.4° | 180.0° |
| CAA | CAK | CAL | CAM | 1.6° | 0.1° |
| CAK | CAA | CAB | H21 | 180.0° | 179.8° |
| CAK | CAA | CAB | CAC | 1.1° | 0.2° |
| CAA | CAK | CAL | H18 | 178.4° | 179.9° |
| CAK | CAA | CAB | H20 | 178.9° | 179.8° |
| CAL | CAM | NAN | CAC | 177.4° | 179.8° |
| CAL | CAM | NAN | CAO | 156.7° | 35.3° |
| CAL | CAM | CAC | CAB | 0.8° | 0.2° |
| CAL | CAM | NAN | H17 | 23.3° | 144.7° |
| CAL | CAM | CAC | H19 | 179.3° | 179.7° |
| CAA | CAB | CAC | CAM | 1.7° | 0.0° |
| CAA | CAB | CAC | H20 | 180.0° | 180.0° |
| CAA | CAB | CAC | H19 | 178.3° | 179.9° |
| CAM | NAN | CAO | H17 | 180.0° | 180.0° |
| CAM | NAN | CAO | CAP | 179.1° | 175.4° |
| CAM | NAN | CAO | OAD | 2.5° | 4.6° |
| NAN | CAM | CAC | CAB | 177.8° | 180.0° |
| NAN | CAM | CAL | H18 | 3.3° | 0.0° |
| NAN | CAM | CAC | H19 | 2.3° | 0.1° |
| CAO | NAN | CAM | CAC | 25.9° | 144.9° |
| NAN | CAO | CAP | OAD | 176.9° | 180.0° |
| NAN | CAO | CAP | CAQ | 163.2° | 180.0° |
| NAN | CAO | CAP | H15 | 75.4° | 60.0° |
| NAN | CAO | CAP | H16 | 41.7° | 60.0° |
| CAM | CAC | CAB | H19 | 180.0° | 179.9° |
| CAC | CAM | NAN | H17 | 154.1° | 35.1° |
| CAC | CAM | CAL | H18 | 179.1° | 179.8° |
| CAM | CAC | CAB | H20 | 178.3° | 180.0° |
| CAO | CAP | CAQ | H15 | 121.4° | 120.0° |
| CAO | CAP | CAQ | H16 | 121.5° | 119.9° |
| CAO | CAP | CAQ | CAR | 91.1° | 180.0° |
| CAO | CAP | CAQ | H13 | 146.4° | 60.0° |
| CAO | CAP | CAQ | H14 | 31.5° | 60.1° |
| CAO | CAP | H15 | H16 | 115.3° | 120.0° |
| CAP | CAO | NAN | H17 | 0.9° | 4.6° |
| CAQ | CAP | CAO | OAD | 13.7° | 0.1° |
| CAP | CAQ | CAR | H13 | 122.5° | 120.1° |
| CAP | CAQ | CAR | H14 | 122.5° | 119.9° |
| CAP | CAQ | CAR | OBC | 81.7° | 0.0° |
| CAP | CAQ | CAR | NAS | 88.1° | 180.0° |
| CAP | CAQ | H13 | H14 | 111.4° | 120.0° |
| CAQ | CAP | H15 | H16 | 115.4° | 120.0° |
| OAD | CAO | CAP | H15 | 107.8° | 120.0° |
| OAD | CAO | CAP | H16 | 135.2° | 120.0° |
| OAD | CAO | NAN | H17 | 177.5° | 175.3° |
| CAQ | CAR | OBC | NAS | 171.1° | 180.0° |
| CAQ | CAR | NAS | CAT | 167.1° | 180.0° |
| CAQ | CAR | NAS | CAE | 10.9° | 0.0° |
| CAR | CAQ | H13 | H14 | 111.4° | 120.0° |
| CAR | CAQ | CAP | H15 | 30.4° | 60.0° |
| CAR | CAQ | CAP | H16 | 147.5° | 60.1° |
| CAC | CAB | CAA | H21 | 178.9° | 180.0° |
| OBC | CAR | NAS | CAT | 0.9° | 0.0° |
| OBC | CAR | NAS | CAE | 178.9° | 180.0° |
| OBC | CAR | CAQ | H13 | 40.8° | 120.0° |
| OBC | CAR | CAQ | H14 | 155.8° | 120.0° |
| CAR | NAS | CAT | CAE | 178.3° | 180.0° |
| CAR | NAS | CAT | CAU | 101.6° | 128.8° |
| CAR | NAS | CAE | CAF | 129.8° | 128.8° |
| CAR | NAS | CAE | H7 | 109.5° | 9.1° |
| CAR | NAS | CAE | H8 | 9.1° | 111.4° |
| CAR | NAS | CAT | H11 | 16.9° | 111.5° |
| CAR | NAS | CAT | H12 | 139.8° | 9.0° |
| NAS | CAR | CAQ | H13 | 149.4° | 60.0° |
| NAS | CAR | CAQ | H14 | 34.4° | 60.0° |
| NAS | CAT | CAU | H11 | 118.5° | 119.7° |
| NAS | CAT | CAU | H12 | 118.6° | 119.9° |
| CAT | NAS | CAE | CAF | 48.3° | 51.1° |
| NAS | CAT | CAU | NAV | 63.3° | 53.8° |
| CAT | NAS | CAE | H7 | 72.4° | 170.9° |
| CAT | NAS | CAE | H8 | 169.0° | 68.6° |
| NAS | CAT | CAU | H9 | 57.0° | 173.8° |
| NAS | CAT | CAU | H10 | 176.3° | 66.1° |
| NAS | CAT | H11 | H12 | 124.0° | 120.6° |
| CAE | NAS | CAT | CAU | 76.7° | 51.2° |
| NAS | CAE | CAF | H7 | 120.7° | 119.7° |
| NAS | CAE | CAF | H8 | 120.7° | 119.9° |
| NAS | CAE | CAF | NAV | 6.5° | 53.8° |
| NAS | CAE | CAF | H5 | 127.1° | 66.2° |
| NAS | CAE | CAF | H6 | 114.2° | 173.8° |
| NAS | CAE | H7 | H8 | 117.9° | 120.6° |
| CAE | NAS | CAT | H11 | 164.7° | 68.5° |
| CAE | NAS | CAT | H12 | 41.9° | 171.0° |
| CAT | CAU | NAV | H9 | 120.3° | 120.0° |
| CAT | CAU | NAV | H10 | 120.3° | 119.9° |
| CAT | CAU | NAV | CAF | 28.0° | 63.1° |
| CAT | CAU | NAV | CAW | 152.9° | 172.8° |
| CAT | CAU | H9 | H10 | 119.0° | 120.1° |
| CAU | CAT | H11 | H12 | 124.0° | 120.4° |
| CAE | CAF | NAV | CAU | 2.3° | 63.1° |
| CAE | CAF | NAV | H5 | 120.7° | 120.0° |
| CAE | CAF | NAV | H6 | 120.7° | 120.0° |
| CAE | CAF | NAV | CAW | 176.9° | 172.7° |
| CAE | CAF | H5 | H6 | 118.0° | 120.0° |
| CAF | CAE | H7 | H8 | 117.9° | 120.4° |
| CAU | NAV | CAF | CAW | 179.2° | 124.2° |
| CAU | NAV | CAW | CAG | 15.9° | 55.6° |
| CAU | NAV | CAW | CAX | 164.0° | 124.3° |
| CAU | NAV | CAF | H5 | 118.4° | 56.9° |
| CAU | NAV | CAF | H6 | 123.0° | 176.9° |
| NAV | CAU | H9 | H10 | 119.1° | 120.0° |
| NAV | CAU | CAT | H11 | 178.1° | 65.9° |
| NAV | CAU | CAT | H12 | 55.3° | 173.7° |
| CAF | NAV | CAW | CAG | 163.3° | 180.0° |
| CAF | NAV | CAW | CAX | 16.8° | 0.0° |
| NAV | CAF | H5 | H6 | 117.9° | 120.1° |
| NAV | CAF | CAE | H7 | 114.2° | 173.5° |
| NAV | CAF | CAE | H8 | 127.1° | 66.1° |
| CAF | NAV | CAU | H9 | 92.4° | 176.9° |
| CAF | NAV | CAU | H10 | 148.3° | 56.8° |
| NAV | CAW | CAG | CAX | 179.9° | 180.0° |
| NAV | CAW | CAG | CAH | 179.6° | 180.0° |
| NAV | CAW | CAX | CAY | 179.0° | 179.9° |
| NAV | CAW | CAG | H1 | 0.4° | 0.3° |
| NAV | CAW | CAX | H4 | 1.0° | 0.0° |
| CAW | NAV | CAF | H5 | 62.4° | 67.3° |
| CAW | NAV | CAF | H6 | 56.2° | 52.8° |
| CAW | NAV | CAU | H9 | 86.8° | 52.8° |
| CAW | NAV | CAU | H10 | 32.6° | 67.3° |
| CAW | CAG | CAH | H1 | 180.0° | 179.6° |
| CAW | CAG | CAH | CAZ | 0.4° | 0.0° |
| CAG | CAW | CAX | CAY | 1.1° | 0.1° |
| CAW | CAG | CAH | H2 | 179.6° | 180.0° |
| CAG | CAW | CAX | H4 | 178.9° | 180.0° |
| CAH | CAG | CAW | CAX | 0.5° | 0.1° |
| CAG | CAH | CAZ | H2 | 180.0° | 179.9° |
| CAG | CAH | CAZ | CAY | 0.7° | 0.0° |
| CAG | CAH | CAZ | FBA | 179.6° | 180.0° |
| CAW | CAX | CAY | H4 | 180.0° | 179.9° |
| CAW | CAX | CAY | CAZ | 0.8° | 0.1° |
| CAX | CAW | CAG | H1 | 179.5° | 179.7° |
| CAW | CAX | CAY | H3 | 179.2° | 180.0° |
| CAH | CAZ | CAY | CAX | 0.2° | 0.0° |
| CAH | CAZ | CAY | FBA | 178.9° | 180.0° |
| CAZ | CAH | CAG | H1 | 179.6° | 179.7° |
| CAH | CAZ | CAY | H3 | 179.8° | 180.0° |
| CAX | CAY | CAZ | H3 | 180.0° | 180.0° |
| CAX | CAY | CAZ | FBA | 179.0° | 180.0° |
| CAY | CAZ | CAH | H2 | 179.3° | 180.0° |
| CAZ | CAY | CAX | H4 | 179.2° | 180.0° |
| FBA | CAZ | CAH | H2 | 0.5° | 0.0° |
| FBA | CAZ | CAY | H3 | 1.0° | 0.0° |
| H1 | CAG | CAH | H2 | 0.4° | 0.4° |
| H3 | CAY | CAX | H4 | 0.8° | 0.0° |
| H5 | CAF | CAE | H7 | 6.4° | 53.5° |
| H5 | CAF | CAE | H8 | 112.2° | 173.9° |
| H6 | CAF | CAE | H7 | 125.1° | 66.5° |
| H6 | CAF | CAE | H8 | 6.5° | 53.9° |
| H9 | CAU | CAT | H11 | 61.6° | 54.0° |
| H9 | CAU | CAT | H12 | 175.6° | 66.3° |
| H10 | CAU | CAT | H11 | 57.8° | 174.2° |
| H10 | CAU | CAT | H12 | 65.1° | 53.9° |
| H13 | CAQ | CAP | H15 | 92.1° | 180.0° |
| H13 | CAQ | CAP | H16 | 25.0° | 60.0° |
| H14 | CAQ | CAP | H15 | 152.9° | 60.0° |
| H14 | CAQ | CAP | H16 | 90.0° | 180.0° |
| H19 | CAC | CAB | H20 | 1.7° | 0.1° |
| H20 | CAB | CAA | H21 | 1.1° | 0.0° |
