IBS-ZINC06658931 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -0.7310 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -0.6450 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 -0.9830 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 -1.4070 -2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -1.4980 -3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -1.1610 -2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -1.1470 -3.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -0.7520 -2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.6160 -2.7060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8380 -0.0230 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -1.9830 -2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -2.4600 -1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -3.7140 -1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -4.4920 -2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -4.0150 -3.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -2.7590 -3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 0.0500 -4.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 0.7260 -4.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 0.7830 -3.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 1.3920 -5.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 2.1050 -5.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 2.6240 -7.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 2.3470 -7.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 1.4080 -6.8620 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 0.5290 -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 2.9820 -0.3150 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 -0.9160 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5620 -1.6690 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 -1.8280 -4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -1.8520 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 -4.0860 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -5.4720 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -4.6230 -4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -2.3850 -4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 0.0050 -4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 2.2460 -5.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 3.2120 -7.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 2.6770 -8.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 11 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 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 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 M END