B7BE1N -OEChem-04022105142D 40 42 0 0 0 0 0 0 0999 V2000 5.0780 -1.3177 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3513 0.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.9055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 1.3559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1311 3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3568 0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9555 1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1366 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 3.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 4.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3121 4.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3176 4.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9685 1.7189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0518 2.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0203 2.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3389 1.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8907 0.8438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4046 0.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 -1.5093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 2.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3355 3.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 4.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6766 5.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0654 5.4719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 2 0 0 0 0 3 16 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 14 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 16 1 0 0 0 0 10 17 2 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 19 2 0 0 0 0 15 32 1 0 0 0 0 16 21 2 0 0 0 0 17 22 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$