B2GAY6 -OEChem-04022111013D 36 37 0 1 0 0 0 0 0999 V2000 0.2980 -0.5370 0.6940 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9925 2.3459 0.4565 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2755 -0.9165 -0.9009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3493 1.5407 -1.6412 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3162 0.4172 -0.5084 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6857 -0.4238 1.5495 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 1.2538 0.4392 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9873 -0.5670 -0.2460 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0720 -0.1209 0.9116 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9716 0.9143 -0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3468 -1.0805 0.1696 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2436 1.1192 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2857 -2.5589 0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 1.4293 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3602 -0.5530 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5601 0.3611 0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3113 -0.3566 0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0887 -0.3212 -1.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7337 -1.9462 -0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 -1.2031 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4544 -0.2718 1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -0.5083 1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9673 -3.1628 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5861 -2.7348 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -2.9240 0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 -1.2450 -0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 2.4452 0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9339 -0.7335 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5466 0.7046 0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2539 -0.8885 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3975 -0.4133 -2.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4987 0.6943 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9087 -1.0322 -2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8713 -2.0027 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3898 -2.2664 0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4616 -2.7008 -0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 11 1 0 0 0 0 3 26 1 0 0 0 0 4 10 2 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 M END $$$$