BJA4K5 -OEChem-04042104353D 39 41 0 0 0 0 0 0 0999 V2000 5.0682 0.8549 2.4296 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -0.5928 0.8036 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7488 -0.5613 -1.2852 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7814 0.2931 -0.8155 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 2.3317 0.5588 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 -0.9630 1.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6855 0.4873 -0.0676 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8423 -1.6630 1.0089 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3845 0.4623 -0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8764 0.3762 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7218 1.4453 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 0.3504 -0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7584 1.4543 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6247 -0.5640 -1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8507 -0.4106 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3745 -0.4118 0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1552 -0.5894 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6771 0.1387 0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3474 -0.9808 -1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0234 0.4574 -0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0568 0.1179 0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7271 -1.0015 -1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5819 -0.4522 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8271 -0.5831 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6383 1.6310 -0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1754 -1.6268 0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.3822 -0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 -0.0902 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2267 2.2419 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9927 -1.4097 -1.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6916 -1.4157 -1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7367 0.5418 1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1361 -1.4465 -2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6561 -0.4687 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8996 -0.5902 0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1436 1.3139 -1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8777 2.3704 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3640 2.1196 -0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7236 -2.4892 1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 10 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 5 13 2 0 0 0 0 6 16 2 0 0 0 0 7 17 1 0 0 0 0 7 20 2 0 0 0 0 8 17 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M END $$$$