BC4LJ2 -OEChem-04022115223D 29 31 0 0 0 0 0 0 0999 V2000 3.3942 0.7785 -0.1392 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 -2.1509 -0.1653 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 -2.5199 1.2572 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4772 -2.9194 -0.0632 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2348 -2.5858 -1.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4668 -0.9255 0.1803 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6462 -1.8444 0.2439 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 3.0769 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5193 0.6032 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9467 1.9500 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 2.7831 -0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9055 0.3230 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7956 1.3609 -0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 -0.4279 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 2.2332 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8239 -0.1268 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2508 1.1985 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7766 -0.8066 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3404 4.0081 -0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 3.2382 1.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1748 3.4758 -0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3414 2.9485 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6675 3.2595 0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5887 -0.8930 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 1.4264 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0321 -3.4279 1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4946 -3.8962 -0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3251 -2.7948 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6504 -1.7099 0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 14 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 6 12 1 0 0 0 0 6 18 2 0 0 0 0 7 18 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 M END $$$$