IBS-ZINC05442715 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 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 1.1770 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -2.0960 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -2.6950 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.7950 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -2.1790 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -0.7730 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -0.1310 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -0.8720 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -2.2640 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -2.9160 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -2.9870 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -2.2540 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1090 -3.2170 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9050 -4.4130 0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3730 -2.7500 0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5000 -3.6860 0.1240 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.2380 -4.5780 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7380 -3.0120 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9760 -3.8780 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5780 -4.7420 -1.1260 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.4080 -4.2420 -2.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5100 -6.1410 -0.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8830 -4.0740 -1.3270 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 2.1140 -0.1490 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 0.9480 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -0.3760 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -3.9960 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 -1.6320 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -1.6220 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5360 -1.7940 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6080 -2.9260 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8680 -2.0200 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1410 -4.5990 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8560 -3.2470 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8870 -3.1970 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2090 -4.8380 -1.7140 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 2 0 0 0 0 2 8 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 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END