LG3E0H -OEChem-05022321312D 47 48 0 1 0 0 0 0 0999 V2000 7.7469 -2.4172 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.3292 -3.1217 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.9115 -3.8262 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.8858 0.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1591 -1.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8089 1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 -3.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5559 -1.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9379 -3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 4.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3238 -3.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4338 -4.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2247 -2.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4993 -4.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7206 -3.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1025 -4.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 1.6352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.7127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 3.1352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -1.6082 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5036 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.5768 -0.9037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5768 -0.9037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2678 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 0.6352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1646 -1.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 3.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 -0.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1892 -0.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9578 0.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 -0.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6074 -1.9845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3355 -2.3087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 1.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 3.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6548 4.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 3.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0348 3.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4911 -1.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9322 -4.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1159 -4.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6557 -2.6218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 16 2 0 0 0 0 4 23 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 6 28 2 0 0 0 0 8 44 1 0 0 0 0 10 30 2 0 0 0 0 12 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 25 17 1 6 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 22 18 1 1 0 0 0 19 28 1 0 0 0 0 19 30 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 23 26 1 6 0 0 0 23 33 1 0 0 0 0 24 25 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 27 29 2 0 0 0 0 27 39 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 41 1 0 0 0 0 31 42 1 0 0 0 0 31 43 1 0 0 0 0 M CHG 2 20 1 21 -1 M END $$$$