LC4R2W -OEChem-05022323383D 45 47 0 0 0 0 0 0 0999 V2000 -1.1306 1.7470 0.1386 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9482 1.5491 0.3915 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.9096 2.3628 0.4247 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7231 0.6427 0.1105 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -0.3716 -0.1589 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7056 1.3998 0.3246 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2387 -0.1229 0.1089 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5743 0.2473 0.0065 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7568 -0.6305 0.4665 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8952 -1.8774 0.9176 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 -0.1947 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3259 -1.4892 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5661 -0.0759 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9063 -1.3989 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1804 0.0919 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2454 -2.5514 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2622 0.5074 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0737 -0.9776 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6157 -2.2796 -0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 -0.0840 -0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9502 0.4824 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6626 1.2321 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1418 -1.1168 -0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0279 1.5153 -0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -0.8335 -0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3734 0.7783 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8439 2.1350 -0.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3818 -0.6870 0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 1.6433 0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 -2.2343 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9021 -3.5711 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1506 -0.8340 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3290 -3.0955 -0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3741 -1.3606 -0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0106 2.0822 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -2.1465 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 2.5469 0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2055 -1.6544 -0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1549 2.7649 -0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6868 1.9975 -1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0607 2.6444 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3107 -1.4047 0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 0.1902 0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -2.6068 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8986 -2.0620 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 29 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 5 34 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 26 2 0 0 0 0 8 28 2 0 0 0 0 9 28 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 28 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 30 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 M CHG 2 2 -1 6 1 M END $$$$