PUBCHEM-ZINC03020012 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -4.2450 0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 -4.7530 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -3.7980 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7930 -4.1870 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 -5.5460 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 -6.5070 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7870 -6.1100 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -7.1230 -0.0130 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9860 -8.3080 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -6.7700 -0.0220 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.5340 -5.9660 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8180 -7.1480 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5120 -5.0380 0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9170 -5.4550 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8020 -4.2360 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2650 -3.6080 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0630 -2.5080 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2490 -2.2420 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3900 -3.4280 1.5410 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -2.1110 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -2.1010 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 -2.7480 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5760 -3.4430 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 -7.5580 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2860 -4.0950 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1280 -6.0460 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1100 -6.0560 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0340 -3.9330 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5020 -1.9090 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8390 -1.4260 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 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 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END