L4F3KU -OEChem-05022322452D 45 47 0 0 0 0 0 0 0999 V2000 5.3147 0.9806 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 0.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3147 0.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.2218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 2.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2853 3.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7634 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2634 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -3.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2132 1.8615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7843 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5959 1.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2205 4.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1783 2.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2650 3.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8298 3.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 4.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 2.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -0.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -1.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3568 -0.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 0.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7368 0.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -0.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -0.0281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -0.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 -4.1438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -4.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6362 -3.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 33 1 0 0 0 0 6 21 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$