BS2TM3 -OEChem-04022102253D 54 57 0 1 0 0 0 0 0999 V2000 -2.4224 3.0196 0.9500 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0694 6.4239 0.9206 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 7.1524 -0.1882 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 7.0226 -1.1977 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.2733 -2.7668 1.9890 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8508 -2.3008 1.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4936 -1.6243 -2.3101 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0094 5.1037 -0.6928 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5622 -1.3103 0.1355 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -0.8635 -0.1605 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 -4.6926 -0.2956 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5149 -1.8618 -0.4385 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 -2.4529 -0.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5399 -2.9654 -2.1872 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5748 -2.2735 0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0313 -1.8626 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 -2.1174 1.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -3.6125 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2619 -1.4046 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3711 -0.2909 0.0764 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3182 0.8754 1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 1.9989 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -1.4917 -1.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 2.0020 0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 3.0343 -0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 -2.0064 -1.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7534 3.0408 0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1262 4.0729 -0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2263 4.0761 -0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2766 -2.6767 -2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7842 -2.5327 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9103 -3.1506 -0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8366 -1.9942 1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 6.4244 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0888 -3.2301 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0152 -2.0734 1.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1414 -2.6914 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2715 -0.8354 0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7722 -2.5792 0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6598 -3.0051 2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 -1.2610 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8242 -0.5387 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7647 0.0598 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9711 0.5241 2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3305 1.2625 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -0.8633 0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 1.1975 1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0032 3.0405 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5503 4.8672 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8911 -2.9635 -3.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9122 -3.5826 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9827 -1.5038 1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9662 -3.7109 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 -1.6538 2.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 34 1 0 0 0 0 3 34 1 0 0 0 0 4 34 1 0 0 0 0 5 37 1 0 0 0 0 6 19 2 0 0 0 0 7 23 2 0 0 0 0 8 29 1 0 0 0 0 8 34 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 9 42 1 0 0 0 0 10 20 1 0 0 0 0 10 23 1 0 0 0 0 10 46 1 0 0 0 0 11 18 3 0 0 0 0 12 13 1 0 0 0 0 12 26 2 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 30 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 47 1 0 0 0 0 25 28 2 0 0 0 0 25 48 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 35 1 0 0 0 0 32 51 1 0 0 0 0 33 36 2 0 0 0 0 33 52 1 0 0 0 0 35 37 2 0 0 0 0 35 53 1 0 0 0 0 36 37 1 0 0 0 0 36 54 1 0 0 0 0 M END $$$$