IFLAB-ZINC04139297 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.4800 1.4810 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -0.0120 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -0.6810 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -2.0650 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -2.7980 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -2.1410 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -0.7510 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -0.0810 -2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -4.2610 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -4.7990 -0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -4.9670 0.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -6.4140 0.9960 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5700 -6.8150 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -6.9850 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -6.7840 2.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0640 -6.4110 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -6.1020 3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -4.9260 3.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -4.5660 5.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -5.4810 5.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -6.7660 4.5360 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -8.5920 3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -10.1010 3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -10.7330 2.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -10.5370 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -9.0510 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 1.7460 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 1.9680 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 1.8830 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -0.1200 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -2.5360 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -2.7190 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 0.3970 -2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -0.7990 -2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 0.6700 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 -4.4890 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -6.4770 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -8.0570 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -6.8360 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -4.3410 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -3.6820 5.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -5.4550 6.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -8.1500 2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -8.1200 4.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -10.5460 3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -10.3080 4.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -11.0020 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -11.0570 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -8.9350 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -8.5910 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -8.3040 2.2830 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5430 -8.6760 2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 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 32 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END