IBS-ZINC03985165 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -2.5710 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -2.7910 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -3.3160 -1.1110 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4170 -3.5430 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5460 -3.9610 0.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 -3.2630 1.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -3.4010 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -2.8070 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -2.4950 2.6120 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 -2.3240 -1.8500 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4070 -2.2320 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1650 -2.8100 -1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2130 -1.9950 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4080 -2.8080 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7630 -2.5160 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6530 -3.5720 -1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2240 -4.8610 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8880 -5.1680 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9730 -4.1250 -1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 -4.0860 -2.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0470 -4.8480 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9820 -3.3410 -1.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8590 -4.4610 -1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0720 -0.5190 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 -0.0840 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -2.5770 -2.2180 O 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 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1000 -1.5160 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9580 -5.6490 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5690 -6.1740 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7610 -4.8780 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5960 -5.2210 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8880 -4.1400 -1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8290 0.0330 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1890 -0.3290 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6230 -0.0980 -2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 0.9240 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -4.2620 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 -1.0090 -1.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7670 -1.1000 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 30 2 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 50 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 51 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 51 1 0 0 0 0 51 52 1 0 0 0 0 M END