BWSM13 -OEChem-04042106343D 40 40 0 0 0 0 0 0 0999 V2000 2.5457 0.8981 0.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1944 -0.4015 -1.2625 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4662 -2.8206 -0.6611 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 -0.7880 -0.3628 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5219 -0.0252 0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8965 1.1217 0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 1.8025 -1.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 2.0247 1.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -0.2262 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2505 -0.0039 -1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 0.6290 -0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7912 0.1086 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6218 -0.0523 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 1.8985 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5871 -2.1438 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6979 0.5360 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3482 2.4869 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5611 1.8056 0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3665 -2.7732 0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2746 -4.0768 1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 2.2432 -1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 2.6078 -1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6571 1.1350 -2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6001 2.2421 0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 2.9742 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 1.5593 2.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -0.8310 -0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6982 -0.0803 0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 -0.8334 0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6398 0.7570 -1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 -0.6609 -2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2335 0.4113 1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7432 -1.0412 -0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 2.4404 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6423 0.0058 0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2419 3.4755 1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3989 2.2638 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1352 -2.1848 1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9675 -4.5279 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4729 -4.7235 0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 15 2 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 12 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$