IBS-ZINC04024408 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 0 0 0 0 0 0999 V2000 0.2410 1.4370 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 0.0350 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -0.9800 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 -0.3480 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -1.6080 -0.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -2.1250 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -3.3650 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 -4.0070 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 -3.4140 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3320 -2.1660 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 -1.5260 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7730 -4.1220 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0340 -4.8390 -1.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6160 -3.9360 0.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9340 -4.5440 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9510 -3.7780 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3370 -4.3660 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5880 -5.3180 0.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2750 -3.7020 -0.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.6800 -4.0600 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4370 -3.2710 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9220 -3.6090 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6250 -2.7630 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7560 -1.5410 1.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 1.7280 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 2.1760 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 1.4890 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 0.0300 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -0.6950 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -1.0440 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -1.9790 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -0.4140 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 0.4170 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -3.8350 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 -4.9710 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1820 -1.6570 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 -0.5570 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3190 -3.3790 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8580 -5.5830 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2280 -4.5610 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9830 -2.7280 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6720 -3.7970 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9860 -2.9290 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0730 -3.8370 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7780 -5.1360 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0160 -3.4810 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2890 -2.1960 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3610 -3.3920 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0760 -4.6750 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0050 -3.3950 2.3180 O 0 5 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 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 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 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 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 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 M CHG 1 50 -1 M END