BAC1S5 -OEChem-04022113263D 51 53 0 1 0 0 0 0 0999 V2000 -8.3575 0.5864 0.0018 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3101 2.4159 -0.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 -1.6736 -0.4502 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -1.7724 0.5921 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6677 -0.7730 0.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6362 0.0772 -0.5351 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7765 -0.6068 1.5674 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5371 0.4230 1.0050 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9240 0.3048 -1.4402 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0331 -0.2053 -0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9461 -0.1315 1.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3467 -0.2529 -1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9465 0.0561 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5379 1.9568 0.8828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9093 1.8430 -1.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1386 -0.8266 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3713 -0.7468 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7841 -0.2699 -0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2403 -0.8561 -1.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8808 1.2548 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9918 -0.4564 0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8391 -1.2951 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4948 0.7049 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1891 -0.9726 -0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8448 1.0274 0.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6919 0.1888 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8786 0.1453 1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5471 -0.0608 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1288 -1.2974 -0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 -1.2016 1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3251 0.3409 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 0.1273 -2.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2892 -1.3394 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3176 1.0883 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 2.3434 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9615 2.4057 1.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6047 2.2063 -2.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9215 2.2351 -1.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4203 0.8766 -1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4979 0.1224 2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5898 -1.1543 1.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1711 -0.4174 -2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3631 -1.9435 -1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 -0.6670 -2.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8809 1.6226 -0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 1.7222 -1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6027 1.6727 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4704 -2.2174 -0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8518 1.3550 1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8389 -1.6387 -0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2239 1.9329 1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 5 18 1 0 0 0 0 5 21 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 39 1 0 0 0 0 7 16 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 M END $$$$