B3THY7 -OEChem-04042105313D 51 53 0 0 0 0 0 0 0999 V2000 -4.0994 0.6992 0.5327 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1929 1.5506 -1.1371 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7094 -1.3253 0.4624 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 -2.6203 -0.7556 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5757 0.3709 -0.2922 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2322 -1.8216 1.4253 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0305 1.1410 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3881 -0.1815 -0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1156 1.6389 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 -1.1376 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9113 1.9711 -0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6494 -0.3990 -0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 2.9189 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9356 3.2641 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4262 1.5342 -0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2936 0.4145 -0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9271 -2.2168 -0.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0456 3.7272 0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5098 -1.5321 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4289 -0.6732 -0.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7664 -0.7275 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6615 -2.3943 0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7520 0.2145 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0537 -1.7166 0.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 0.1396 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8926 -1.9505 1.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1658 -0.8882 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1965 -1.6246 -2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 -0.6217 -1.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0334 3.2710 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 3.9307 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 2.5034 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2552 1.3750 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7629 -0.5397 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4357 0.5772 -2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -1.7669 0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -2.8942 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6763 -2.8126 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 4.7356 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4213 0.1987 0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 -0.5009 -1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9368 -1.6510 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9318 -2.6492 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2177 -3.2696 0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5763 1.0100 -1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3255 -2.4794 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7604 0.8628 0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6318 -1.6737 2.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6429 -2.7455 1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3343 -1.0633 0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1038 -0.9907 1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 19 1 0 0 0 0 3 22 1 0 0 0 0 4 19 2 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 6 24 1 0 0 0 0 6 27 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 17 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 2 0 0 0 0 12 19 1 0 0 0 0 13 18 2 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 22 26 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 M END $$$$