MEJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAL | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAW | sing | 1.39Å | 1.38Å | Aromatic |
| CAG | CAK | doub | 1.38Å | 1.38Å | Aromatic |
| CAW | CAU | sing | 1.47Å | 1.39Å | |
| CAW | CAV | doub | 1.41Å | 1.40Å | Aromatic |
| OAC | CAU | doub | 1.22Å | 1.23Å | |
| CAK | CAV | sing | 1.40Å | 1.41Å | Aromatic |
| CAU | NAQ | sing | 1.35Å | 1.39Å | |
| CAF | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAV | NAO | sing | 1.36Å | 1.37Å | |
| CAD | CAE | sing | 1.38Å | 1.37Å | Aromatic |
| NAQ | CAT | sing | 1.36Å | 1.35Å | |
| NAO | CAT | doub | 1.30Å | 1.34Å | |
| CAJ | CAS | doub | 1.38Å | 1.41Å | Aromatic |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAM | CAR | sing | 1.51Å | 1.53Å | |
| CAT | CAN | sing | 1.51Å | 1.49Å | |
| CAE | CAI | doub | 1.38Å | 1.37Å | Aromatic |
| CAR | NAP | sing | 1.35Å | 1.33Å | |
| CAR | OAB | doub | 1.21Å | 1.23Å | |
| NAP | CAX | sing | 1.47Å | 1.49Å | |
| CAS | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CAX | sing | 1.51Å | 1.50Å | |
| CAX | CAA | sing | 1.53Å | 1.54Å | |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| CAX | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| NAP | H10 | sing | 0.97Å | 1.00Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAG | H16 | sing | 1.08Å | 1.08Å | |
| CAH | H17 | sing | 1.08Å | 1.08Å | |
| CAL | H18 | sing | 1.08Å | 1.08Å | |
| NAQ | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAH | CAG | 122.6° | 120.6° |
| CAH | CAL | CAW | 117.0° | 119.5° |
| CAL | CAH | H17 | 118.7° | 119.8° |
| CAH | CAL | H18 | 121.5° | 120.2° |
| CAH | CAG | CAK | 119.3° | 120.8° |
| CAH | CAG | H16 | 120.4° | 119.6° |
| CAG | CAH | H17 | 118.7° | 119.7° |
| CAL | CAW | CAU | 119.7° | 121.9° |
| CAL | CAW | CAV | 121.5° | 120.0° |
| CAW | CAL | H18 | 121.5° | 120.2° |
| CAG | CAK | CAV | 119.2° | 119.7° |
| CAG | CAK | H15 | 120.4° | 120.1° |
| CAK | CAG | H16 | 120.3° | 119.6° |
| CAU | CAW | CAV | 118.6° | 118.0° |
| CAW | CAU | OAC | 123.4° | 121.3° |
| CAW | CAU | NAQ | 117.2° | 117.4° |
| CAW | CAV | CAK | 120.3° | 119.4° |
| CAW | CAV | NAO | 122.1° | 119.0° |
| OAC | CAU | NAQ | 119.4° | 121.3° |
| CAK | CAV | NAO | 117.6° | 121.7° |
| CAV | CAK | H15 | 120.4° | 120.2° |
| CAU | NAQ | CAT | 122.2° | 120.6° |
| CAU | NAQ | H19 | 118.9° | 119.6° |
| CAD | CAF | CAJ | 119.6° | 120.0° |
| CAF | CAD | CAE | 118.2° | 120.0° |
| CAF | CAD | H3 | 120.9° | 120.0° |
| CAD | CAF | H4 | 120.2° | 120.0° |
| CAF | CAJ | CAS | 120.6° | 120.0° |
| CAJ | CAF | H4 | 120.2° | 120.0° |
| CAF | CAJ | H5 | 119.7° | 120.0° |
| CAV | NAO | CAT | 118.1° | 121.6° |
| CAD | CAE | CAI | 123.8° | 120.0° |
| CAD | CAE | H2 | 118.1° | 119.9° |
| CAE | CAD | H3 | 120.9° | 120.0° |
| NAQ | CAT | NAO | 121.6° | 123.4° |
| NAQ | CAT | CAN | 117.1° | 118.3° |
| CAT | NAQ | H19 | 118.9° | 119.7° |
| NAO | CAT | CAN | 121.3° | 118.3° |
| CAJ | CAS | CAI | 118.8° | 120.0° |
| CAJ | CAS | CAX | 123.2° | 120.0° |
| CAS | CAJ | H5 | 119.7° | 120.0° |
| CAN | CAM | CAR | 107.8° | 109.5° |
| CAM | CAN | CAT | 112.6° | 109.5° |
| CAN | CAM | H11 | 109.9° | 109.5° |
| CAN | CAM | H12 | 109.9° | 109.5° |
| CAM | CAN | H13 | 108.7° | 109.4° |
| CAM | CAN | H14 | 108.7° | 109.4° |
| CAM | CAR | NAP | 115.5° | 120.0° |
| CAM | CAR | OAB | 119.5° | 120.0° |
| CAR | CAM | H11 | 109.9° | 109.5° |
| CAR | CAM | H12 | 109.9° | 109.4° |
| CAT | CAN | H13 | 108.7° | 109.5° |
| CAT | CAN | H14 | 108.7° | 109.5° |
| CAE | CAI | CAS | 118.9° | 120.0° |
| CAE | CAI | H1 | 120.6° | 120.0° |
| CAI | CAE | H2 | 118.1° | 120.0° |
| NAP | CAR | OAB | 124.9° | 120.0° |
| CAR | NAP | CAX | 120.9° | 119.9° |
| CAR | NAP | H10 | 119.6° | 120.0° |
| NAP | CAX | CAS | 109.7° | 109.4° |
| NAP | CAX | CAA | 108.5° | 109.5° |
| NAP | CAX | H6 | 109.8° | 109.5° |
| CAX | NAP | H10 | 119.6° | 120.0° |
| CAI | CAS | CAX | 117.9° | 120.0° |
| CAS | CAI | H1 | 120.6° | 120.0° |
| CAS | CAX | CAA | 110.0° | 109.5° |
| CAS | CAX | H6 | 109.7° | 109.4° |
| CAA | CAX | H6 | 109.1° | 109.5° |
| CAX | CAA | H7 | 109.5° | 109.5° |
| CAX | CAA | H8 | 109.5° | 109.4° |
| CAX | CAA | H9 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H9 | 109.5° | 109.4° |
| H8 | CAA | H9 | 109.4° | 109.5° |
| H11 | CAM | H12 | 109.5° | 109.5° |
| H13 | CAN | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAH | CAG | H17 | 180.0° | 179.9° |
| CAH | CAL | CAW | H18 | 180.0° | 179.9° |
| CAL | CAH | CAG | CAK | 1.0° | 0.1° |
| CAH | CAL | CAW | CAU | 178.0° | 180.0° |
| CAH | CAL | CAW | CAV | 2.6° | 0.1° |
| CAL | CAH | CAG | H16 | 179.0° | 179.9° |
| CAG | CAH | CAL | CAW | 2.5° | 0.1° |
| CAH | CAG | CAK | H16 | 180.0° | 180.0° |
| CAH | CAG | CAK | CAV | 0.4° | 0.0° |
| CAH | CAG | CAK | H15 | 179.6° | 180.0° |
| CAG | CAH | CAL | H18 | 177.5° | 180.0° |
| CAL | CAW | CAU | CAV | 175.6° | 180.0° |
| CAL | CAW | CAU | OAC | 1.4° | 0.0° |
| CAL | CAW | CAV | CAK | 1.3° | 0.0° |
| CAL | CAW | CAU | NAQ | 178.9° | 179.8° |
| CAL | CAW | CAV | NAO | 177.1° | 180.0° |
| CAW | CAL | CAH | H17 | 177.5° | 179.9° |
| CAG | CAK | CAV | CAW | 0.3° | 0.1° |
| CAG | CAK | CAV | H15 | 180.0° | 180.0° |
| CAG | CAK | CAV | NAO | 178.7° | 180.0° |
| CAK | CAG | CAH | H17 | 178.9° | 179.9° |
| CAW | CAU | OAC | NAQ | 179.7° | 179.8° |
| CAU | CAW | CAV | CAK | 176.8° | 180.0° |
| CAU | CAW | CAV | NAO | 1.6° | 0.0° |
| CAW | CAU | NAQ | CAT | 2.2° | 0.5° |
| CAU | CAW | CAL | H18 | 1.9° | 0.0° |
| CAW | CAU | NAQ | H19 | 177.8° | 179.9° |
| CAV | CAW | CAU | OAC | 177.0° | 180.0° |
| CAW | CAV | CAK | NAO | 178.5° | 179.9° |
| CAV | CAW | CAU | NAQ | 3.3° | 0.2° |
| CAW | CAV | NAO | CAT | 1.4° | 0.0° |
| CAW | CAV | CAK | H15 | 179.8° | 180.0° |
| CAV | CAW | CAL | H18 | 177.4° | 180.0° |
| OAC | CAU | NAQ | CAT | 178.1° | 179.7° |
| OAC | CAU | NAQ | H19 | 1.9° | 0.3° |
| CAK | CAV | NAO | CAT | 179.8° | 179.9° |
| CAV | CAK | CAG | H16 | 179.6° | 180.0° |
| CAU | NAQ | CAT | H19 | 180.0° | 179.4° |
| CAU | NAQ | CAT | NAO | 0.8° | 0.6° |
| CAU | NAQ | CAT | CAN | 178.7° | 179.7° |
| CAD | CAF | CAJ | H4 | 180.0° | 179.9° |
| CAF | CAD | CAE | H3 | 180.0° | 180.0° |
| CAD | CAF | CAJ | CAS | 1.2° | 0.3° |
| CAF | CAD | CAE | CAI | 0.4° | 0.0° |
| CAF | CAD | CAE | H2 | 179.6° | 180.0° |
| CAD | CAF | CAJ | H5 | 178.8° | 179.9° |
| CAJ | CAF | CAD | CAE | 0.9° | 0.0° |
| CAF | CAJ | CAS | H5 | 180.0° | 179.8° |
| CAF | CAJ | CAS | CAI | 1.0° | 0.6° |
| CAF | CAJ | CAS | CAX | 179.7° | 180.0° |
| CAJ | CAF | CAD | H3 | 179.1° | 180.0° |
| CAV | NAO | CAT | NAQ | 2.6° | 0.3° |
| CAV | NAO | CAT | CAN | 179.6° | 180.0° |
| NAO | CAV | CAK | H15 | 1.3° | 0.0° |
| CAD | CAE | CAI | H2 | 180.0° | 180.0° |
| CAD | CAE | CAI | CAS | 0.2° | 0.3° |
| CAD | CAE | CAI | H1 | 179.8° | 180.0° |
| CAE | CAD | CAF | H4 | 179.1° | 179.9° |
| NAQ | CAT | NAO | CAN | 177.7° | 179.7° |
| NAQ | CAT | CAN | CAM | 106.9° | 179.7° |
| NAQ | CAT | CAN | H13 | 132.7° | 59.8° |
| NAQ | CAT | CAN | H14 | 13.6° | 60.3° |
| NAO | CAT | CAN | CAM | 75.3° | 0.0° |
| NAO | CAT | CAN | H13 | 45.1° | 119.9° |
| NAO | CAT | CAN | H14 | 164.2° | 120.0° |
| NAO | CAT | NAQ | H19 | 179.2° | 180.0° |
| CAJ | CAS | CAI | CAE | 0.5° | 0.6° |
| CAJ | CAS | CAX | NAP | 40.5° | 140.0° |
| CAJ | CAS | CAI | CAX | 179.3° | 179.4° |
| CAJ | CAS | CAX | CAA | 78.9° | 100.0° |
| CAJ | CAS | CAI | H1 | 179.5° | 179.7° |
| CAS | CAJ | CAF | H4 | 178.8° | 179.8° |
| CAJ | CAS | CAX | H6 | 161.1° | 20.1° |
| CAN | CAM | CAR | H11 | 119.8° | 120.0° |
| CAN | CAM | CAR | H12 | 119.7° | 120.0° |
| CAM | CAN | CAT | H13 | 120.4° | 119.9° |
| CAM | CAN | CAT | H14 | 120.5° | 120.0° |
| CAN | CAM | CAR | NAP | 118.5° | 180.0° |
| CAN | CAM | CAR | OAB | 65.5° | 0.0° |
| CAN | CAM | H11 | H12 | 120.7° | 120.0° |
| CAM | CAN | H13 | H14 | 118.6° | 119.9° |
| CAR | CAM | CAN | CAT | 178.6° | 180.0° |
| CAM | CAR | NAP | OAB | 175.7° | 179.9° |
| CAM | CAR | NAP | CAX | 177.4° | 180.0° |
| CAM | CAR | NAP | H10 | 2.6° | 0.0° |
| CAR | CAM | H11 | H12 | 120.8° | 120.0° |
| CAR | CAM | CAN | H13 | 61.0° | 60.0° |
| CAR | CAM | CAN | H14 | 58.1° | 60.0° |
| CAT | CAN | CAM | H11 | 61.7° | 60.0° |
| CAT | CAN | CAM | H12 | 58.8° | 60.0° |
| CAT | CAN | H13 | H14 | 118.6° | 120.1° |
| CAN | CAT | NAQ | H19 | 1.3° | 0.3° |
| CAE | CAI | CAS | H1 | 180.0° | 179.7° |
| CAE | CAI | CAS | CAX | 179.8° | 180.0° |
| CAI | CAE | CAD | H3 | 179.6° | 180.0° |
| CAR | NAP | CAX | H10 | 180.0° | 180.0° |
| CAR | NAP | CAX | CAS | 93.5° | 155.0° |
| CAR | NAP | CAX | CAA | 146.2° | 85.0° |
| CAR | NAP | CAX | H6 | 27.1° | 35.1° |
| NAP | CAR | CAM | H11 | 1.2° | 60.0° |
| NAP | CAR | CAM | H12 | 121.8° | 60.0° |
| OAB | CAR | NAP | CAX | 6.9° | 0.0° |
| OAB | CAR | NAP | H10 | 173.1° | 180.0° |
| OAB | CAR | CAM | H11 | 174.7° | 120.0° |
| OAB | CAR | CAM | H12 | 54.2° | 120.0° |
| NAP | CAX | CAS | CAI | 138.8° | 40.6° |
| NAP | CAX | CAS | CAA | 119.3° | 120.0° |
| NAP | CAX | CAS | H6 | 120.7° | 120.0° |
| NAP | CAX | CAA | H6 | 119.6° | 120.0° |
| NAP | CAX | CAA | H7 | 180.0° | 60.1° |
| NAP | CAX | CAA | H8 | 60.0° | 60.0° |
| NAP | CAX | CAA | H9 | 60.0° | 180.0° |
| CAI | CAS | CAX | CAA | 101.9° | 79.4° |
| CAS | CAI | CAE | H2 | 179.8° | 179.7° |
| CAI | CAS | CAJ | H5 | 179.0° | 179.6° |
| CAI | CAS | CAX | H6 | 18.1° | 160.5° |
| CAS | CAX | CAA | H6 | 120.4° | 120.0° |
| CAX | CAS | CAI | H1 | 0.3° | 0.3° |
| CAX | CAS | CAJ | H5 | 0.2° | 0.2° |
| CAS | CAX | CAA | H7 | 60.0° | 180.0° |
| CAS | CAX | CAA | H8 | 180.0° | 60.0° |
| CAS | CAX | CAA | H9 | 60.0° | 60.0° |
| CAS | CAX | NAP | H10 | 86.5° | 25.0° |
| CAX | CAA | H7 | H8 | 120.0° | 120.0° |
| CAX | CAA | H7 | H9 | 120.0° | 120.0° |
| CAX | CAA | H8 | H9 | 120.0° | 120.0° |
| CAA | CAX | NAP | H10 | 33.8° | 95.0° |
| H1 | CAI | CAE | H2 | 0.2° | 0.0° |
| H2 | CAE | CAD | H3 | 0.4° | 0.0° |
| H3 | CAD | CAF | H4 | 0.9° | 0.1° |
| H4 | CAF | CAJ | H5 | 1.2° | 0.0° |
| H6 | CAX | CAA | H7 | 60.4° | 60.0° |
| H6 | CAX | CAA | H8 | 59.6° | 180.0° |
| H6 | CAX | CAA | H9 | 179.6° | 60.0° |
| H6 | CAX | NAP | H10 | 152.9° | 145.0° |
| H7 | CAA | H8 | H9 | 120.0° | 120.0° |
| H11 | CAM | CAN | H13 | 58.8° | 180.0° |
| H11 | CAM | CAN | H14 | 177.8° | 60.1° |
| H12 | CAM | CAN | H13 | 179.3° | 60.0° |
| H12 | CAM | CAN | H14 | 61.7° | 179.9° |
| H15 | CAK | CAG | H16 | 0.3° | 0.0° |
| H16 | CAG | CAH | H17 | 1.1° | 0.0° |
| H17 | CAH | CAL | H18 | 2.5° | 0.1° |
