BW38TS -OEChem-04022113033D 38 39 0 1 0 0 0 0 0999 V2000 4.4659 0.6096 -1.1307 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5695 -0.3349 1.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3299 -0.0908 0.2532 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0058 -3.5994 -0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7464 -2.1695 0.0947 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7679 -1.9695 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -1.3672 -0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 1.1182 0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2018 -0.7253 0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0142 -0.4593 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3378 1.2158 0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8062 0.0671 -0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9744 0.4143 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8795 1.0518 -0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2158 1.7464 0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 -0.6226 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 2.3839 -0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2892 2.7312 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1295 -1.9288 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 -2.7942 0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 -1.9795 -1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -1.3878 -1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -1.8629 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6659 1.1143 1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3076 1.9673 0.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3177 -1.5090 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 -0.3032 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7168 2.2361 0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9184 0.5549 1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0051 -3.7822 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5558 -4.1444 0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0262 0.8010 -1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1212 2.0346 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4722 -1.0233 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5209 -1.4387 1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7668 -0.2049 1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4009 3.1509 -0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4775 3.7686 0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 12 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 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 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 M END $$$$