B3E1TI -OEChem-04012113482D 42 45 0 1 0 0 0 0 0999 V2000 4.0908 -1.7010 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 1.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 -2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5908 -0.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 -0.9457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2187 -2.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -1.2010 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.6351 -3.5057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 -0.2351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -3.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -3.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -3.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 2.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 -1.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2187 -2.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4659 2.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 3.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9659 3.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4659 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 -0.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 0.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 -0.6544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -1.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 -2.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 0.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 1.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -1.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4199 -3.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -4.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8277 -4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7759 1.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3459 3.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5859 3.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1559 4.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7759 4.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 1 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 36 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$