LG3E0H -OEChem-05022321323D 47 48 0 1 0 0 0 0 0999 V2000 1.3087 2.6425 0.0538 P 0 0 1 0 0 0 0 0 0 0 0 0 4.0386 1.7669 -0.6146 P 0 0 2 0 0 0 0 0 0 0 0 0 4.6578 -0.7764 0.7461 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.1085 -0.8263 0.9078 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 1.1609 0.4805 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9381 -2.3164 0.4992 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5779 2.3869 -0.9125 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 3.1660 -0.9658 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5866 3.5693 1.2014 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4200 2.0043 -0.0334 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 0.3402 0.0674 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5916 2.6541 0.6183 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9561 1.6945 -1.7995 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -1.9895 1.0543 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5367 -1.3303 -0.4918 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4468 -0.2922 1.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3375 -0.6391 0.2225 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0241 -3.5019 -0.2256 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6634 -0.1571 0.2316 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0882 -4.0098 -0.4451 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1065 -4.4852 -0.6402 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.2575 -2.1914 -0.8459 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0897 -1.0981 0.1568 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7406 -1.9983 -1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2089 -1.5186 0.3041 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5251 0.1974 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1112 0.7205 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6599 -1.1275 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0736 1.6463 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4901 1.2057 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8039 3.1024 -0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -2.1098 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8568 -1.4070 0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2698 -2.8996 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9017 -1.2288 -1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4514 -2.3741 0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 0.5919 -1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4161 0.0205 -1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 1.0435 -0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6213 -0.4879 0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2606 3.4485 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7317 3.3170 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2171 3.6879 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1837 4.1026 -1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5115 2.5141 0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9574 -2.7669 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2549 -1.9742 -0.3139 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 17 25 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 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 0 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 $$$$