PUBCHEM-ZINC05984864 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.0790 1.1560 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.2620 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -0.5510 -1.2110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5800 -0.2660 -1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -2.0290 -1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -2.7560 -2.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.0720 -2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -4.3200 -1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -2.8840 -1.1100 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -5.1170 -2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -6.2820 -2.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -4.7400 -3.7670 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -5.6340 -4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -4.9220 -3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -3.5590 -4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -2.6910 -4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -3.4870 -4.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 -1.8010 -5.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3720 -1.3330 -4.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5010 -0.7990 -3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9970 -1.8140 -2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5770 -2.2670 -2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 1.9000 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 1.3760 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 1.2710 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -0.4360 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -0.9620 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -5.2570 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -5.8920 -5.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -6.5640 -3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -5.5520 -3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 -4.7950 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 -3.7590 -5.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -1.7780 -4.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -2.3910 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -2.9000 -4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -3.7510 -5.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 -2.2720 -6.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 -0.9750 -4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6610 -0.5530 -5.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0720 -2.1660 -4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9260 0.1300 -3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5480 -0.5500 -3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0270 -1.3710 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6670 -2.6820 -2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -1.4270 -2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2660 -3.0470 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 -2.8390 -4.0080 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.2650 -3.5650 -4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 0.2510 -1.9750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 1.2430 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 0.0950 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 50 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 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 33 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 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 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 48 1 M END