IFLAB-ZINC04569625 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.1880 1.5000 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -0.0060 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -0.6960 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -2.0770 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -2.7730 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -2.0780 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.6960 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -2.8290 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -4.1710 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -4.8480 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -4.2460 2.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -6.3390 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -6.9410 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -7.0160 2.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -8.4790 2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -9.0000 3.6910 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4080 -8.5800 4.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -8.6150 4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -9.8680 5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -11.0090 4.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -10.4680 3.6900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -11.3620 3.0720 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -12.6000 2.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -10.5000 2.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 -11.7320 4.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -12.8090 5.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -12.8880 6.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 -11.8740 6.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3490 -10.7410 4.9080 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 1.8580 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 1.8660 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 1.8670 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -0.1540 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -2.6150 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -0.1550 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -3.0050 -3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -2.2410 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -3.7840 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -4.6530 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -6.5350 3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -8.8850 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -8.7900 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -7.7400 5.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -8.4390 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -9.8490 6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -9.9580 5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -11.8910 4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -11.2520 3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -13.5620 5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -13.7070 6.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -11.7680 6.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 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 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 M END