ASINEX-ZINC04506112 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 1.1720 1.3810 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.0330 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -0.6490 1.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -0.1220 2.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -0.7040 3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.1470 4.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -0.9270 5.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -2.0860 5.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -2.2120 3.5940 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.4770 7.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -1.2460 8.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -2.5730 7.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -3.2870 8.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 0.9880 7.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 1.5020 6.9720 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3410 -0.5630 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 1.3000 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 1.7380 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 2.1050 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 0.7720 2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -2.8430 5.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -4.3240 8.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -2.8550 9.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -3.2710 9.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -0.6870 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -1.5370 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 0.1090 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 1.5520 8.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 28 2 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M CHG 1 15 -1 M END