IBS-ZINC02114145 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.0390 1.9590 -1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 0.5640 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -0.4010 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -1.8020 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -2.8530 -2.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9530 -2.8710 -3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -4.2180 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -4.6660 -0.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -2.6190 -2.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 -1.8300 -3.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -1.2260 -4.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9400 -1.8000 -3.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 -0.9520 -4.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 -0.8460 -4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 -1.4720 -3.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0880 -1.2760 -4.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 -0.4510 -5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8990 -0.1950 -5.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9960 -0.7600 -5.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3130 -0.4900 -5.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5660 0.3540 -6.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5010 0.9260 -7.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1780 0.6540 -6.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0970 1.2890 -7.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3310 2.0330 -8.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 1.0090 -7.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4910 0.1600 -6.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 -0.0220 -5.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 2.3720 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.9450 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 2.6320 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 0.6190 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 0.1950 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -0.4530 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -0.0100 -1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -1.7500 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -2.1130 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -3.1480 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 -1.4310 -2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2830 -2.8290 -3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4770 -2.1230 -3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8080 -1.7900 -3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8560 -1.4270 -4.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1400 -0.9410 -4.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5890 0.5650 -6.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7080 1.5860 -7.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 0.4750 -6.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -4.7060 -1.3610 O 0 5 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 48 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 28 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 27 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 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 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 M CHG 1 48 -1 M END