PUBCHEM-ZINC05885566 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.5520 1.0580 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -0.2670 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -0.8760 -0.9320 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2650 -0.9320 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -2.2840 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 0.1640 -1.3300 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 -0.4520 -2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -1.0210 -3.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 0.2090 -2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -1.4860 -4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 -1.3120 -5.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -0.6440 -4.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 -0.4470 -4.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -0.2490 -3.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -1.7980 -6.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 0.4170 -7.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 -1.5130 -9.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -2.1800 -5.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -3.6190 -5.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -3.9210 -4.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -5.2470 -3.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -6.2860 -4.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -6.0000 -5.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -4.6750 -6.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 1.8520 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 0.9580 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 1.3790 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -0.1360 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -0.9730 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -2.2770 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -2.9260 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -2.7600 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 -2.0480 -6.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -2.7240 -6.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 0.1330 -7.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 0.9670 -6.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 1.0290 -8.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 -2.3620 -9.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7350 -1.8420 -8.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 -0.7940 -9.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -1.6300 -5.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -2.1260 -6.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -3.1210 -3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -5.4680 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -7.3180 -4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -6.8130 -6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -4.4810 -7.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 -0.8340 -7.7420 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3490 -0.5390 -7.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 48 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 48 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END