L98EHR -OEChem-05032301223D 30 32 0 0 0 0 0 0 0999 V2000 -3.0186 3.5713 -0.0144 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0147 -2.8102 0.0050 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8896 -1.1855 0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0008 -2.9581 -0.0244 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5705 -0.7233 0.0681 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 -1.6344 -0.0255 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0147 1.5657 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1495 0.6668 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 0.8118 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6865 -0.6605 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2163 -0.6092 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9515 2.9484 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5104 0.9176 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4283 1.3885 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 -1.7541 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3101 3.5547 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 -0.1751 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4868 2.7827 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 -1.4964 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 -2.3210 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1786 -1.8795 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 3.5588 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9026 1.9290 0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3674 0.8594 -0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1391 -2.7658 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3681 4.6411 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4576 0.0139 0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5679 -2.8961 -0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5454 -2.9332 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9466 -2.6982 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 3 6 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 4 30 1 0 0 0 0 5 21 2 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 17 2 0 0 0 0 13 23 1 0 0 0 0 14 18 2 0 0 0 0 14 24 1 0 0 0 0 15 19 2 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 M END $$$$