B29NIY -OEChem-04022104053D 37 39 0 1 0 0 0 0 0999 V2000 3.7569 1.9660 -0.7176 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4998 -0.9596 -0.4175 S 0 0 1 0 0 0 0 0 0 0 0 0 5.5316 -0.6565 -0.5194 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 -2.4248 -0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9506 -0.2052 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9735 1.3138 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2439 -0.8754 0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -0.2774 0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1156 -0.6788 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3142 2.1275 1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9093 -1.6123 1.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6536 1.8864 -0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7879 -0.7653 -1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3352 3.5142 1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1188 -2.2392 0.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6746 3.2729 -1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9973 -1.3921 -1.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 -1.9866 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0446 0.1460 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0154 4.0868 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6628 -2.1290 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -2.1116 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7368 -0.3998 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5009 -0.6606 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6181 0.8082 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5669 1.6942 2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5001 -1.7094 2.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 1.2868 -1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2872 -0.2109 -1.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6009 4.1479 2.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6369 -2.8132 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 3.7191 -2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4196 -1.3092 -2.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0821 -2.7990 1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 5.1664 -0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6041 -2.6177 -0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5657 -2.9878 0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 19 1 0 0 0 0 3 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 18 1 0 0 0 0 9 19 2 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 20 2 0 0 0 0 14 30 1 0 0 0 0 15 21 2 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 21 1 0 0 0 0 17 33 1 0 0 0 0 18 22 2 0 0 0 0 18 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M END $$$$