IFLAB-ZINC04497561 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 50 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.3640 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0140 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6960 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.0120 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 1.3920 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 2.0790 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 3.5540 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 4.1750 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 4.2140 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 5.6790 0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8010 6.0720 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 6.2450 1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 6.4420 1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 6.6040 2.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 6.4140 0.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 6.2120 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 6.5590 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 6.6360 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 6.7800 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 6.8490 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 6.7700 1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 6.6200 1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3820 6.8280 3.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7140 7.3510 2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4380 6.6910 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7170 7.0000 0.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 -0.8830 0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 -2.1390 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -2.0310 0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.8920 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5640 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 1.9410 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 3.7200 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 5.5310 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 7.1970 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 7.1560 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 5.4790 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 6.5830 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 6.8390 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 6.5560 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2390 7.1220 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6800 8.4300 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4670 5.6110 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4540 7.0800 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 -2.2630 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -2.9670 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 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 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END