IFLAB-ZINC05148239 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 1.4570 1.4170 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -0.1100 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -0.6850 2.1970 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -0.4440 2.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -0.3120 2.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -2.4400 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -3.1900 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -4.5640 2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -5.1980 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -4.4360 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -3.0630 1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -6.6710 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -7.3320 1.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -7.2800 1.5230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -8.6580 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -9.3960 1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -10.7560 1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -11.3930 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -10.6490 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -9.2890 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -12.8520 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -13.5800 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -13.2360 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -14.8960 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -16.0760 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -17.2610 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -17.2820 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 -16.1310 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -14.9170 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -13.6440 1.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 1.7410 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 1.7620 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 1.8360 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -0.4350 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -0.5300 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -2.6980 2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 -5.1490 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -4.9200 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -2.4720 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -6.7610 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -8.9020 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -11.3280 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -11.1400 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -8.7120 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -16.0660 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -18.1790 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -18.2170 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -16.1580 1.3090 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 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 30 2 0 0 0 0 22 23 1 0 0 0 0 22 24 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 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 M END