IFLAB-ZINC05144964 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -1.4130 0.6190 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -0.8110 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -1.6570 1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -3.2290 1.3080 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -2.7140 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -1.4020 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -0.6740 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -0.0720 -2.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 -0.6710 -1.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 0.0560 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -3.5130 -1.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -4.7960 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -5.2520 -0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -5.6490 -2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -5.7960 -3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -6.5930 -4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -7.2460 -4.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -7.1050 -3.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -6.3060 -2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -6.1510 -1.9020 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3320 -6.8200 -2.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -5.3540 -0.9820 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5600 -1.3150 3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.2550 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 0.9410 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 0.6950 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -1.1510 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -0.3470 -3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -0.0550 -3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 1.1130 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -3.1500 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -5.2870 -3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -6.7080 -5.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -7.8700 -5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -7.6190 -4.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -1.5230 3.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -1.9160 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -0.2570 3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 11 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 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 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 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END