L8KER4 -OEChem-05022322463D 37 39 0 0 0 0 0 0 0999 V2000 -4.2859 1.3887 -0.2068 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7874 2.3801 0.6943 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 2.5295 -0.2489 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4772 -0.8026 -0.1134 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 2.1703 -0.4031 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1947 1.5814 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6498 1.4757 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 0.3521 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0168 1.1727 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 0.6531 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 2.6394 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 -0.9964 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7393 0.8370 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 0.6075 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -1.5983 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5658 -1.7040 -1.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -2.9080 1.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1007 -3.0137 -1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5419 -1.4494 -0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5844 -1.6995 0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0258 -3.6157 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6676 -0.2709 -0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 3.5529 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4996 2.9881 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 3.5168 -0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6606 0.2800 -0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1804 -1.0605 2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6183 -1.2502 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -0.7094 -1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2061 -1.9676 -0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0989 -2.1673 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 -2.4318 1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9481 -2.2238 -0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9733 -1.1626 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3566 -3.3765 2.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7959 -3.5644 -1.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -4.6349 0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 2 24 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 25 1 0 0 0 0 4 14 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 21 2 0 0 0 0 17 35 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$