IBS-ZINC00811259 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 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 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8110 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -2.6720 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -4.0320 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.5780 -1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -3.7040 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.3260 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -4.6590 -3.9030 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -6.1440 -3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -5.8760 -1.9810 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -7.7680 -3.6650 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -8.7490 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -10.2150 -2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -10.5630 -3.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -11.1400 -1.7750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -12.5660 -2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -13.3830 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -13.7680 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -14.5170 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -14.8810 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -14.4970 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -13.7510 0.1360 C 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -2.2670 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -4.6880 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -1.6580 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -8.5060 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -8.5220 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -10.8620 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -12.8090 -3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 -12.7920 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -13.4840 -1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -14.8180 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -15.4660 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -14.7810 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -13.4540 0.1980 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 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 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END