IFLAB-ZINC04139194 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.1800 1.5110 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 0.0090 -0.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1440 -0.1750 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.4990 -1.3140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1680 -0.0040 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -0.1940 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 0.8280 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 0.9070 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 -0.0520 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 -1.1300 -0.3610 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -2.4800 -2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -4.0000 -2.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -4.3110 -2.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -3.8100 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -2.2890 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.6940 1.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -0.8140 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -0.3380 2.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -1.5320 3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -2.0070 3.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -1.6510 4.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -2.3550 5.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -2.3470 6.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -3.3730 6.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -3.3660 7.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -2.3340 8.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -1.3090 8.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -1.3180 7.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 1.6870 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 2.0230 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 1.8940 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 1.5410 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 1.6860 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 -0.1500 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -2.2400 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -2.0340 -3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -4.3910 -3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -4.4510 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -4.0640 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -4.2560 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -1.8390 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -1.9090 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -1.0750 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -1.2710 4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -3.3840 5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -1.8540 6.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -4.1790 6.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 -4.1660 8.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 -2.3280 9.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -0.5020 9.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -0.5190 7.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -1.9500 -1.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 52 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 M END