BS1R6Q -OEChem-04022106432D 49 53 0 0 0 0 0 0 0999 V2000 9.3684 -0.4181 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.4376 -0.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4376 1.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 0.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2271 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5823 1.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8411 -1.1808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8629 -1.3887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 1.1226 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.5437 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5437 1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3437 0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3437 1.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8116 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 -0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6776 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 -1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6776 1.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8116 1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 -1.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7806 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3794 -0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1983 -1.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9456 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3629 -0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5527 -0.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9545 0.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9545 1.2285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5527 1.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6776 -0.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6776 2.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2747 1.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1326 0.4619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8393 -2.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6097 -1.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3379 -1.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7438 0.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4505 -2.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7602 0.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 -2.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -2.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 -0.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 30 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 26 1 0 0 0 0 4 30 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 26 2 0 0 0 0 8 30 2 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 37 1 0 0 0 0 17 23 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 27 2 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 27 29 1 0 0 0 0 27 46 1 0 0 0 0 28 31 2 0 0 0 0 28 47 1 0 0 0 0 29 32 2 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$