B57UJA -OEChem-04012116172D 42 43 0 1 0 0 0 0 0999 V2000 4.7320 4.2990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -4.2990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -2.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 3.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2320 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 3.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 3.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 2.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 4.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1494 4.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.8253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -3.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 3.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 2.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 17 1 0 0 0 0 3 20 1 0 0 0 0 4 24 1 0 0 0 0 5 24 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 18 2 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 8 36 1 0 0 0 0 9 18 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 1 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$