IBS-ZINC05070527 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.1480 1.6470 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 0.2250 -0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -0.3700 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 0.2910 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 -0.4220 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 -1.8200 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -2.5150 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -1.7720 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -3.9150 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 -4.0180 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -2.7550 0.6640 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 -2.5350 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -5.0310 0.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1150 -4.7850 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -5.3330 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -7.4560 2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -8.9480 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -9.2720 1.7620 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -8.2540 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -6.8180 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -6.2730 -0.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 1.9580 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 2.0330 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 2.0700 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 1.3750 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 0.1010 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -2.2730 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 -4.8810 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -4.6390 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -5.3230 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -7.3220 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -6.9500 3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -9.4270 3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -9.4270 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -8.2620 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -8.7170 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -6.3250 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -6.2430 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -6.0510 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -6.7570 1.3610 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2370 -7.2170 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 40 1 0 0 0 0 21 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END