IBS-ZINC05458684 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 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 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3820 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.5120 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -2.0420 1.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2930 -2.4010 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.5600 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -1.9610 -1.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.4990 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -2.9160 -2.4250 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -2.0980 -3.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -4.1350 -2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -3.3110 -2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -2.4880 -2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -2.7920 -2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 -3.9190 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -4.7510 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -4.4430 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -5.9640 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 -6.4300 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -7.5610 0.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 -8.4310 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 -9.4900 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -9.6670 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -8.8170 1.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -7.7640 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -6.7940 0.2900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -2.5480 2.5060 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 1.7730 -0.1540 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.1410 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -2.2780 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -3.6450 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.2240 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -0.0490 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -1.6050 -3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -2.1470 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 -4.1560 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -5.0870 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 -5.9880 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 -8.2770 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6300 -10.1900 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -10.5080 2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -2.1770 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -3.6380 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -2.1900 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END