D00YSJ -OEChem-10121500392D 43 46 0 1 0 0 0 0 0999 V2000 7.5232 1.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9852 2.0258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 3.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -4.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2478 2.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 0.2635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.5412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -1.3460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.4588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.0412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5716 1.2140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9852 2.0240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5744 2.8320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5249 2.5214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3350 3.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -3.0412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3147 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 -0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9591 1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7047 2.5770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9622 2.9301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0769 2.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6826 3.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8897 3.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 -3.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -2.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -2.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4646 -0.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6762 2.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -4.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 -4.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6827 4.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -2.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -2.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -3.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 3.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 0.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 12 2 1 6 0 0 0 2 35 1 0 0 0 0 13 3 1 6 0 0 0 3 38 1 0 0 0 0 4 21 1 0 0 0 0 4 23 1 0 0 0 0 5 15 1 0 0 0 0 5 42 1 0 0 0 0 11 6 1 1 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 16 7 1 1 0 0 0 7 22 1 0 0 0 0 7 39 1 0 0 0 0 8 19 1 0 0 0 0 8 20 2 0 0 0 0 9 17 2 0 0 0 0 9 24 1 0 0 0 0 10 22 1 0 0 0 0 10 24 2 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 1 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 20 34 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$