IFLAB-ZINC04139284 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -3.3610 1.1590 -1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 0.0840 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 0.1150 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -0.8750 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -1.8980 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -1.9190 -2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -0.9360 -2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -2.9860 -3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -3.3460 -3.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -3.5420 -3.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -4.6560 -4.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2100 -4.3240 -5.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -4.8120 -4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -5.9680 -3.6860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2450 -5.7450 -3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -6.4020 -2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -6.1380 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -6.6940 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -7.3730 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -7.3430 -1.9130 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -6.6940 -6.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -7.9080 -7.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -8.9390 -6.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -9.3970 -5.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -8.2620 -4.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 1.9760 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 0.7670 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 1.5590 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 0.9080 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -0.8480 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -2.6730 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -0.9620 -3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -3.1770 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -4.9320 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -5.6570 -4.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -3.9090 -4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -5.5650 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -6.6030 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -7.8890 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -5.9520 -6.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -6.2610 -6.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -7.6150 -8.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -8.3080 -7.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -10.1980 -5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -9.8260 -5.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -7.8480 -4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -8.6150 -3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -7.1120 -4.7100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9410 -7.4770 -4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END