D06FVX -OEChem-04152108462D 44 44 0 0 0 0 0 0 0999 V2000 2.0000 0.2981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.5243 0.2981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5022 0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 -2.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 -2.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6602 -0.2052 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.7884 1.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.2052 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7359 1.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0221 0.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0221 -1.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -1.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8707 1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7923 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8727 1.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7918 1.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4013 1.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1841 1.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4639 -1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1869 1.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4041 2.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5546 2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0161 2.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 3.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7761 2.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 -1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 4 21 2 0 0 0 0 5 23 2 0 0 0 0 6 28 1 0 0 0 0 7 28 2 0 0 0 0 8 29 1 0 0 0 0 9 29 2 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 13 21 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 32 1 0 0 0 0 18 24 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 25 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 23 27 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 4 1 1 2 1 6 -1 8 -1 M END $$$$