B39XLS -OEChem-04022114383D 43 45 0 0 0 0 0 0 0999 V2000 -5.4481 0.2264 0.9872 P 0 3 0 0 0 0 0 0 0 0 0 0 -5.0923 -1.3441 1.1286 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7026 0.0943 0.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4704 0.5450 -1.2834 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1321 2.2082 0.0733 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 0.5406 -0.8981 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 2.2602 0.7102 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9166 3.7237 1.7317 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 1.3045 -0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3618 -0.5311 -2.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9585 1.0931 -1.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6217 0.9952 -0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -1.8516 -1.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8893 0.7850 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2266 2.0261 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7485 -2.3271 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3437 0.6203 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 2.6673 0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8382 -3.1607 -0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4578 -1.9330 0.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 1.2373 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -3.6004 0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2568 -2.3726 1.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3468 -3.2063 1.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3009 -0.2116 -3.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 -0.6712 -2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3065 2.0144 -1.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0783 0.3039 -1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 -1.7584 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1455 -2.6223 -2.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -0.1286 0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8112 1.5904 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 -0.1630 -1.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6894 1.5540 -0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0762 -3.4724 -1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -1.2901 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 0.9372 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4866 -4.2489 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 -2.0664 2.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 4.1738 2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9593 4.0290 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -3.5483 2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 -1.8298 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 17 1 0 0 0 0 2 43 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 9 2 0 0 0 0 5 15 1 0 0 0 0 6 12 2 0 0 0 0 6 21 1 0 0 0 0 7 18 1 0 0 0 0 7 21 2 0 0 0 0 8 18 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 42 1 0 0 0 0 M CHG 1 1 1 M END $$$$