PUBCHEM-ZINC04865505 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0090 1.4580 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0070 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7490 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -0.9080 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -0.4460 1.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -1.5630 2.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -1.6260 3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 -1.7150 2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 -1.7780 3.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4650 -1.7520 4.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -1.6640 5.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 -1.6070 4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8350 -1.8190 5.0580 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7930 -1.8960 4.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0040 -1.7970 6.2640 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0100 -0.8230 -1.4400 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -2.1120 -1.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 0.0620 -2.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -1.0680 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -2.2050 -1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -2.3970 -1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -1.4520 -2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -0.3150 -3.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -0.1250 -2.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 1.8290 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.8250 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 1.8110 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -1.7330 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.2030 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -1.9900 3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -1.7340 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 -1.8460 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 -1.6440 6.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -1.5430 5.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -2.9440 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -3.2860 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 -1.6020 -2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 0.4240 -3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 0.7610 -3.0160 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 16 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 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 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END