L1EKO8 -OEChem-05022323453D 51 54 0 0 0 0 0 0 0999 V2000 0.5550 2.7436 0.8698 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2319 -3.4190 1.8571 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0774 1.5033 0.6178 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5293 0.5272 1.8303 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4632 -3.4446 -0.4291 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 0.4153 0.5144 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8405 0.4172 0.7670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0104 -0.9215 0.6657 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0047 0.8626 0.7197 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1107 -0.2046 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5148 -0.6221 0.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5614 0.2090 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8982 0.9611 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9419 -0.1807 -0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 0.5044 -0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 -0.5431 -0.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2528 1.3368 0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2081 -0.1673 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9219 1.7128 0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5294 1.3476 0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 -1.3824 0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4341 -0.5492 -1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8289 0.8764 -1.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5495 -1.0555 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6646 0.3172 -1.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 -0.1773 -2.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1574 0.5356 -2.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 2.6608 0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6284 1.0396 0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8799 -1.4325 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9950 -0.0595 -1.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6027 -0.9343 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 -2.8771 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -1.3152 1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3098 0.2341 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7623 -1.4245 -1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0378 1.9317 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -0.7669 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7212 2.5873 1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4948 -1.0873 -1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7585 1.4323 -1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0006 -1.4533 1.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 0.9997 -2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4364 -0.4393 -3.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5658 0.8258 -3.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7421 3.5635 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3532 -2.1137 1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5578 0.3281 -2.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 1.0071 0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6385 -1.2277 -0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2862 -4.3982 1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 33 1 0 0 0 0 2 51 1 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 33 2 0 0 0 0 6 20 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 49 1 0 0 0 0 8 21 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 22 2 0 0 0 0 11 21 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 24 2 0 0 0 0 14 25 1 0 0 0 0 15 23 2 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 28 2 0 0 0 0 21 33 1 0 0 0 0 22 26 1 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 23 41 1 0 0 0 0 24 30 1 0 0 0 0 24 42 1 0 0 0 0 25 31 2 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 30 32 2 0 0 0 0 30 47 1 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 32 50 1 0 0 0 0 M CHG 2 3 -1 9 1 M END $$$$