12 Molecule-1 0.000000 B -4.0382 2.0882 -0.1283 B -2.9220 3.2895 -0.1394 B -2.2338 2.6377 -1.4775 B -3.3500 1.4364 -1.4664 B -3.1280 2.3741 1.2054 B -1.3236 2.9235 -0.1438 B -1.7515 1.0704 -1.4708 B -3.5559 0.5209 -0.1216 B -2.6457 0.8068 1.2121 B -1.5295 2.0080 1.2011 B -0.8413 1.3562 -0.1371 B -1.9575 0.1549 -0.1259