MNJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| CAG | CAK | sing | 1.38Å | 1.42Å | Aromatic |
| CAE | CAH | sing | 1.38Å | 1.42Å | Aromatic |
| CAK | CAV | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | CAL | doub | 1.38Å | 1.41Å | Aromatic |
| CAV | CAL | sing | 1.39Å | 1.46Å | Aromatic |
| CAV | CAW | sing | 1.48Å | 1.44Å | |
| OAA | CAT | doub | 1.22Å | 1.25Å | |
| CAQ | CAW | doub | 1.39Å | 1.41Å | Aromatic |
| CAQ | CAY | sing | 1.39Å | 1.39Å | Aromatic |
| CAW | CAP | sing | 1.40Å | 1.43Å | Aromatic |
| CAT | CAY | sing | 1.48Å | 1.44Å | |
| CAT | NAR | sing | 1.35Å | 1.39Å | |
| CAY | CAU | doub | 1.40Å | 1.42Å | Aromatic |
| NAS | NAR | sing | 1.40Å | 1.34Å | |
| NAS | SAZ | sing | 1.66Å | 1.80Å | |
| OAC | SAZ | doub | 1.42Å | 1.47Å | |
| CAP | CAO | doub | 1.38Å | 1.42Å | Aromatic |
| SAZ | OAB | doub | 1.42Å | 1.52Å | |
| SAZ | CAX | sing | 1.76Å | 1.82Å | |
| CAU | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAU | FAD | sing | 1.35Å | 1.37Å | |
| CAX | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| CAX | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | CAF | sing | 1.38Å | 1.41Å | Aromatic |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| CAQ | H6 | sing | 1.08Å | 1.08Å | |
| CAP | H7 | sing | 1.08Å | 1.08Å | |
| CAO | H8 | sing | 1.08Å | 1.08Å | |
| NAR | H9 | sing | 0.97Å | 1.00Å | |
| NAS | H10 | sing | 0.97Å | 1.00Å | |
| CAM | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| CAN | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAG | CAK | 119.2° | 120.1° |
| CAG | CAE | CAH | 121.5° | 120.2° |
| CAE | CAG | H2 | 120.4° | 119.9° |
| CAG | CAE | H3 | 119.3° | 119.9° |
| CAG | CAK | CAV | 122.8° | 119.9° |
| CAG | CAK | H1 | 118.6° | 120.1° |
| CAK | CAG | H2 | 120.4° | 119.9° |
| CAE | CAH | CAL | 117.5° | 120.2° |
| CAH | CAE | H3 | 119.2° | 119.9° |
| CAE | CAH | H4 | 121.2° | 119.9° |
| CAK | CAV | CAL | 115.5° | 119.8° |
| CAK | CAV | CAW | 124.7° | 120.1° |
| CAV | CAK | H1 | 118.6° | 120.1° |
| CAH | CAL | CAV | 123.3° | 119.8° |
| CAL | CAH | H4 | 121.2° | 119.9° |
| CAH | CAL | H5 | 118.3° | 120.1° |
| CAL | CAV | CAW | 119.8° | 120.1° |
| CAV | CAL | H5 | 118.3° | 120.1° |
| CAV | CAW | CAQ | 119.2° | 120.0° |
| CAV | CAW | CAP | 121.6° | 120.0° |
| OAA | CAT | CAY | 120.5° | 120.0° |
| OAA | CAT | NAR | 122.2° | 120.1° |
| CAW | CAQ | CAY | 122.3° | 119.7° |
| CAQ | CAW | CAP | 119.1° | 120.0° |
| CAW | CAQ | H6 | 118.8° | 120.2° |
| CAQ | CAY | CAT | 121.4° | 120.1° |
| CAQ | CAY | CAU | 117.5° | 119.8° |
| CAY | CAQ | H6 | 118.9° | 120.1° |
| CAW | CAP | CAO | 119.8° | 120.2° |
| CAW | CAP | H7 | 120.1° | 119.9° |
| CAY | CAT | NAR | 117.3° | 120.0° |
| CAT | CAY | CAU | 121.1° | 120.1° |
| CAT | NAR | NAS | 118.7° | 120.0° |
| CAT | NAR | H9 | 120.7° | 120.0° |
| CAY | CAU | CAO | 122.7° | 120.0° |
| CAY | CAU | FAD | 116.8° | 120.0° |
| NAR | NAS | SAZ | 111.8° | 120.0° |
| NAS | NAR | H9 | 120.6° | 120.0° |
| NAR | NAS | H10 | 108.9° | 120.0° |
| NAS | SAZ | OAC | 111.8° | 106.4° |
| NAS | SAZ | OAB | 114.2° | 106.4° |
| NAS | SAZ | CAX | 108.9° | 107.2° |
| SAZ | NAS | H10 | 108.9° | 120.0° |
| OAC | SAZ | OAB | 109.4° | 123.1° |
| OAC | SAZ | CAX | 110.7° | 106.4° |
| CAP | CAO | CAU | 118.6° | 120.2° |
| CAO | CAP | H7 | 120.1° | 119.9° |
| CAP | CAO | H8 | 120.7° | 119.9° |
| OAB | SAZ | CAX | 101.4° | 106.5° |
| SAZ | CAX | CAN | 119.3° | 120.0° |
| SAZ | CAX | CAM | 116.9° | 120.0° |
| CAO | CAU | FAD | 120.6° | 120.0° |
| CAU | CAO | H8 | 120.7° | 119.9° |
| CAN | CAX | CAM | 123.8° | 120.0° |
| CAX | CAN | CAJ | 120.9° | 120.0° |
| CAX | CAN | H15 | 119.5° | 120.0° |
| CAX | CAM | CAI | 115.9° | 120.0° |
| CAX | CAM | H11 | 122.1° | 120.0° |
| CAN | CAJ | CAF | 116.8° | 120.0° |
| CAN | CAJ | H14 | 121.6° | 120.0° |
| CAJ | CAN | H15 | 119.5° | 120.0° |
| CAM | CAI | CAF | 121.5° | 120.0° |
| CAI | CAM | H11 | 122.0° | 120.0° |
| CAM | CAI | H12 | 119.2° | 120.0° |
| CAJ | CAF | CAI | 121.1° | 120.0° |
| CAJ | CAF | H13 | 119.5° | 120.0° |
| CAF | CAJ | H14 | 121.6° | 120.0° |
| CAF | CAI | H12 | 119.2° | 120.0° |
| CAI | CAF | H13 | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAG | CAK | H2 | 180.0° | 179.9° |
| CAG | CAE | CAH | H3 | 180.0° | 179.9° |
| CAE | CAG | CAK | CAV | 3.1° | 0.1° |
| CAG | CAE | CAH | CAL | 3.2° | 0.1° |
| CAE | CAG | CAK | H1 | 176.9° | 179.8° |
| CAG | CAE | CAH | H4 | 176.8° | 180.0° |
| CAK | CAG | CAE | CAH | 0.4° | 0.1° |
| CAG | CAK | CAV | H1 | 180.0° | 179.7° |
| CAG | CAK | CAV | CAL | 1.8° | 0.1° |
| CAG | CAK | CAV | CAW | 179.0° | 179.7° |
| CAK | CAG | CAE | H3 | 179.6° | 180.0° |
| CAE | CAH | CAL | H4 | 180.0° | 179.9° |
| CAE | CAH | CAL | CAV | 4.6° | 0.0° |
| CAH | CAE | CAG | H2 | 179.6° | 180.0° |
| CAE | CAH | CAL | H5 | 175.4° | 179.9° |
| CAK | CAV | CAL | CAH | 2.1° | 0.0° |
| CAK | CAV | CAL | CAW | 177.3° | 179.8° |
| CAK | CAV | CAW | CAQ | 43.4° | 179.7° |
| CAK | CAV | CAW | CAP | 140.5° | 0.0° |
| CAV | CAK | CAG | H2 | 176.9° | 180.0° |
| CAK | CAV | CAL | H5 | 177.9° | 179.9° |
| CAH | CAL | CAV | H5 | 180.0° | 180.0° |
| CAH | CAL | CAV | CAW | 175.2° | 179.8° |
| CAL | CAH | CAE | H3 | 176.8° | 180.0° |
| CAL | CAV | CAW | CAQ | 133.7° | 0.1° |
| CAL | CAV | CAW | CAP | 42.5° | 179.8° |
| CAL | CAV | CAK | H1 | 178.2° | 179.8° |
| CAV | CAL | CAH | H4 | 175.4° | 180.0° |
| CAV | CAW | CAQ | CAP | 176.2° | 179.7° |
| CAV | CAW | CAQ | CAY | 178.6° | 180.0° |
| CAV | CAW | CAP | CAO | 177.6° | 179.9° |
| CAW | CAV | CAK | H1 | 1.0° | 0.0° |
| CAW | CAV | CAL | H5 | 4.8° | 0.3° |
| CAV | CAW | CAQ | H6 | 1.5° | 0.1° |
| CAV | CAW | CAP | H7 | 2.4° | 0.0° |
| OAA | CAT | CAY | CAQ | 44.6° | 180.0° |
| OAA | CAT | CAY | NAR | 178.9° | 179.9° |
| OAA | CAT | CAY | CAU | 137.4° | 0.1° |
| OAA | CAT | NAR | NAS | 5.8° | 0.1° |
| OAA | CAT | NAR | H9 | 174.2° | 180.0° |
| CAW | CAQ | CAY | H6 | 180.0° | 180.0° |
| CAW | CAQ | CAY | CAT | 179.3° | 180.0° |
| CAW | CAQ | CAY | CAU | 2.6° | 0.0° |
| CAQ | CAW | CAP | CAO | 1.4° | 0.2° |
| CAQ | CAW | CAP | H7 | 178.6° | 179.7° |
| CAY | CAQ | CAW | CAP | 2.3° | 0.2° |
| CAQ | CAY | CAT | CAU | 178.0° | 180.0° |
| CAQ | CAY | CAT | NAR | 134.3° | 0.1° |
| CAQ | CAY | CAU | CAO | 2.1° | 0.3° |
| CAQ | CAY | CAU | FAD | 178.7° | 180.0° |
| CAW | CAP | CAO | H7 | 180.0° | 179.9° |
| CAW | CAP | CAO | CAU | 1.0° | 0.1° |
| CAP | CAW | CAQ | H6 | 177.7° | 179.8° |
| CAW | CAP | CAO | H8 | 179.1° | 179.9° |
| CAY | CAT | NAR | NAS | 173.0° | 180.0° |
| CAT | CAY | CAU | CAO | 179.8° | 179.8° |
| CAT | CAY | CAU | FAD | 0.6° | 0.0° |
| CAT | CAY | CAQ | H6 | 0.7° | 0.0° |
| CAY | CAT | NAR | H9 | 6.9° | 0.1° |
| NAR | CAT | CAY | CAU | 43.8° | 180.0° |
| CAT | NAR | NAS | H9 | 180.0° | 179.9° |
| CAT | NAR | NAS | SAZ | 101.7° | 124.9° |
| CAT | NAR | NAS | H10 | 137.9° | 55.0° |
| CAY | CAU | CAO | CAP | 1.3° | 0.3° |
| CAY | CAU | CAO | FAD | 179.2° | 179.8° |
| CAU | CAY | CAQ | H6 | 177.4° | 180.0° |
| CAY | CAU | CAO | H8 | 178.7° | 179.7° |
| NAR | NAS | SAZ | H10 | 120.3° | 179.9° |
| NAR | NAS | SAZ | OAC | 164.0° | 53.5° |
| NAR | NAS | SAZ | OAB | 39.1° | 173.6° |
| NAR | NAS | SAZ | CAX | 73.4° | 60.0° |
| NAS | SAZ | OAC | OAB | 127.5° | 122.9° |
| NAS | SAZ | OAC | CAX | 121.6° | 114.1° |
| NAS | SAZ | OAB | CAX | 116.9° | 114.1° |
| NAS | SAZ | CAX | CAN | 117.8° | 90.0° |
| NAS | SAZ | CAX | CAM | 64.1° | 89.7° |
| SAZ | NAS | NAR | H9 | 78.3° | 55.0° |
| OAC | SAZ | OAB | CAX | 117.0° | 123.0° |
| OAC | SAZ | CAX | CAN | 5.4° | 156.5° |
| OAC | SAZ | CAX | CAM | 172.6° | 23.8° |
| OAC | SAZ | NAS | H10 | 75.7° | 126.4° |
| CAP | CAO | CAU | H8 | 180.0° | 180.0° |
| CAP | CAO | CAU | FAD | 179.5° | 179.9° |
| OAB | SAZ | CAX | CAN | 121.4° | 23.5° |
| OAB | SAZ | CAX | CAM | 56.6° | 156.7° |
| OAB | SAZ | NAS | H10 | 159.4° | 6.5° |
| SAZ | CAX | CAN | CAM | 177.9° | 179.7° |
| SAZ | CAX | CAN | CAJ | 178.4° | 179.8° |
| SAZ | CAX | CAM | CAI | 178.1° | 180.0° |
| CAX | SAZ | NAS | H10 | 46.9° | 120.1° |
| SAZ | CAX | CAM | H11 | 1.9° | 0.0° |
| SAZ | CAX | CAN | H15 | 1.5° | 0.0° |
| CAU | CAO | CAP | H7 | 179.0° | 180.0° |
| FAD | CAU | CAO | H8 | 0.5° | 0.0° |
| CAX | CAN | CAJ | H15 | 180.0° | 179.8° |
| CAN | CAX | CAM | CAI | 0.2° | 0.3° |
| CAX | CAN | CAJ | CAF | 0.4° | 0.4° |
| CAN | CAX | CAM | H11 | 179.8° | 179.8° |
| CAX | CAN | CAJ | H14 | 179.6° | 179.7° |
| CAM | CAX | CAN | CAJ | 0.5° | 0.5° |
| CAX | CAM | CAI | H11 | 180.0° | 179.9° |
| CAX | CAM | CAI | CAF | 1.2° | 0.1° |
| CAX | CAM | CAI | H12 | 178.9° | 180.0° |
| CAM | CAX | CAN | H15 | 179.5° | 179.7° |
| CAN | CAJ | CAF | H14 | 180.0° | 179.9° |
| CAN | CAJ | CAF | CAI | 1.7° | 0.2° |
| CAN | CAJ | CAF | H13 | 178.3° | 179.8° |
| CAM | CAI | CAF | CAJ | 2.1° | 0.0° |
| CAM | CAI | CAF | H12 | 180.0° | 180.0° |
| CAM | CAI | CAF | H13 | 177.8° | 180.0° |
| CAJ | CAF | CAI | H13 | 180.0° | 180.0° |
| CAJ | CAF | CAI | H12 | 177.9° | 180.0° |
| CAF | CAJ | CAN | H15 | 179.6° | 179.8° |
| CAF | CAI | CAM | H11 | 178.9° | 180.0° |
| CAI | CAF | CAJ | H14 | 178.3° | 179.9° |
| H1 | CAK | CAG | H2 | 3.1° | 0.3° |
| H2 | CAG | CAE | H3 | 0.4° | 0.1° |
| H3 | CAE | CAH | H4 | 3.3° | 0.1° |
| H4 | CAH | CAL | H5 | 4.6° | 0.0° |
| H7 | CAP | CAO | H8 | 0.9° | 0.0° |
| H9 | NAR | NAS | H10 | 42.0° | 125.1° |
| H11 | CAM | CAI | H12 | 1.1° | 0.0° |
| H12 | CAI | CAF | H13 | 2.2° | 0.0° |
| H13 | CAF | CAJ | H14 | 1.7° | 0.1° |
| H14 | CAJ | CAN | H15 | 0.4° | 0.1° |
