B3RTG9 -OEChem-04042103063D 41 43 0 0 0 0 0 0 0999 V2000 -5.0333 -0.1878 -2.0269 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9513 -2.3386 -0.2356 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1375 -2.3241 -1.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 -3.5693 0.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8577 1.8825 -0.8308 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 0.6307 1.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8965 -1.0926 0.4520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5823 0.1535 -1.1018 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5509 -0.4819 0.7949 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7997 0.9151 -0.7199 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3224 -1.8139 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 -0.6188 -0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3528 -1.0023 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2795 -1.0032 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7393 0.2915 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2815 -2.2159 1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5862 -1.8187 1.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9997 1.0941 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6993 0.2054 -0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0828 0.9387 -0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0696 2.0127 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2361 1.7019 -0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2228 2.7761 1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3061 2.6207 0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0356 1.0952 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1551 2.1490 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0966 -0.6765 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2054 -1.2038 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9281 0.7532 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 0.3239 -1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2508 -2.8406 2.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0464 -2.1348 2.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 0.6039 -1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2363 2.1452 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 1.3798 -1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0890 1.5927 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2776 3.4910 2.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2040 3.2149 0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6968 2.7826 -0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7095 1.2149 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 2.6824 0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 25 2 0 0 0 0 7 15 1 0 0 0 0 7 28 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 8 33 1 0 0 0 0 9 14 1 0 0 0 0 9 19 2 0 0 0 0 10 19 1 0 0 0 0 10 25 1 0 0 0 0 10 35 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$