D7X8AQ -OEChem-06062108582D 44 47 0 1 0 0 0 0 0999 V2000 8.1504 3.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -0.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -2.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.0628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8589 1.9722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9998 2.9622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5673 1.2195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1148 2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3088 1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4497 2.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.8877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -1.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.6320 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 8.7391 1.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1195 3.8037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0496 0.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8512 2.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5577 1.8392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1860 1.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9199 1.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0607 2.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5725 3.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 0.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -0.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.4743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -1.0066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.8492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7387 -3.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 13 2 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 24 1 0 0 0 0 4 40 1 0 0 0 0 5 24 1 0 0 0 0 5 41 1 0 0 0 0 6 13 1 0 0 0 0 14 6 1 6 0 0 0 6 34 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 6 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 1 0 0 0 9 10 1 0 0 0 0 9 13 1 6 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$