IFLAB-ZINC04120131 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.9800 -4.0980 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -2.7850 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -2.8790 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -4.1880 -0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -4.9260 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -1.7560 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -0.6150 -0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 -1.9860 0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 -3.3080 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2900 -2.9690 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 -1.5010 0.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -1.0260 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 0.7000 0.1880 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 1.3600 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 2.8650 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 3.5200 1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 4.9020 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 5.6270 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 4.9720 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 3.5910 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 7.1060 0.4830 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1500 7.6830 1.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 7.7460 -0.5520 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0190 -4.3920 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -1.8760 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -6.0060 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -3.8980 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -3.8350 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 -3.3940 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 -3.3310 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9130 0.9880 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0400 1.0400 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 2.9530 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 5.4130 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 5.5390 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 3.0800 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 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 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 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 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END