IFLAB-ZINC04392810 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.6990 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0790 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7730 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0660 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.2510 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -5.0130 1.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -6.3100 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -6.7040 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -5.2660 -1.4620 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -8.1300 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -8.6340 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -10.0210 -1.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -10.6750 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -10.1160 -1.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -12.0900 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -12.6490 -2.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -12.7440 -2.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -14.1310 -2.9150 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7540 -14.6530 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -14.1500 -4.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -14.8180 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -16.1260 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 -16.7570 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2190 -16.0790 -1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2530 -14.7710 -2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 -14.1390 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -7.2950 1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1610 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6200 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.5970 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1380 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -8.1810 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -8.7540 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -8.5840 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -8.0110 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -10.4680 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -12.2970 -2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -13.6530 -4.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -15.1820 -4.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -13.6280 -4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 -16.6560 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9890 -17.7790 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1320 -16.5720 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1930 -14.2410 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1100 -13.1160 -2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -7.5470 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -8.1990 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -6.8520 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 44 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 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END