LGJT71 -OEChem-05022323283D 37 40 0 0 0 0 0 0 0999 V2000 -1.7005 0.2012 -1.2441 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6241 1.0002 0.7645 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9383 0.1363 1.5299 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3711 -0.0176 1.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -0.1224 0.6054 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 0.6851 0.5314 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 0.4806 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 -0.6364 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -0.6877 -0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0444 0.6005 0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0269 0.4236 -1.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 0.2664 -0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9654 1.7022 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2786 1.7531 -0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3659 -0.0026 0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0713 0.1253 0.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2272 -1.7969 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4489 -0.0696 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9130 -0.1653 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5287 -1.7129 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0170 -0.4586 0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8277 -1.1010 -0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1294 -0.8578 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1602 0.2544 0.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6918 -1.6478 -1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9392 0.5221 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4053 2.6286 -0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 2.7225 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8171 -2.7731 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2183 -0.9077 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3215 0.8765 -1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 -0.1285 2.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1385 -2.5999 0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0276 -0.3313 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5803 -1.9225 -1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9992 -1.4676 -0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0112 0.6646 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 19 1 0 0 0 0 2 24 1 0 0 0 0 3 16 2 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 32 1 0 0 0 0 5 15 2 0 0 0 0 5 18 1 0 0 0 0 6 10 1 0 0 0 0 6 21 2 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 25 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 22 2 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$