B8EFQ5 -OEChem-04012115522D 55 58 0 0 0 0 0 0 0999 V2000 3.7320 0.1526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -0.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5620 3.3470 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9192 1.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.6521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 0.9078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 1.1141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 2.6027 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -2.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 -2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 -3.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2334 -2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8547 -3.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2119 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5225 -3.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8547 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5190 3.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1653 3.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4975 3.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9732 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 -3.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4621 -4.2209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0407 -1.4753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 -0.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.6895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.3843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.6526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.6526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0473 -4.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6259 -1.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1292 -3.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2687 1.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1049 4.2209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7720 3.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6901 4.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 2 42 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 21 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 26 1 0 0 0 0 22 40 1 0 0 0 0 23 27 2 0 0 0 0 23 41 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 52 1 0 0 0 0 32 34 1 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$