BTU41L -OEChem-04012120022D 42 44 0 1 0 0 0 0 0999 V2000 8.8600 0.1690 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 1.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 1.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.9737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.6357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -1.5630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 1.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7774 -0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4676 -1.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 0.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9800 -0.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 -2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8969 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6700 1.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8230 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 16 2 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$