IBS-ZINC04603808 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 0.1740 3.1570 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 3.1250 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 2.7470 -2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 2.3620 -2.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 2.1680 -4.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 2.2980 -5.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 1.7730 -4.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 3.0020 -4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 3.6030 -3.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 4.7680 -3.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 5.0150 -5.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 3.8420 -5.8820 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 3.4690 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 3.4600 -2.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 3.1940 -3.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 3.7590 -1.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 3.8180 -2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 2.4430 -3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6020 1.1180 -4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8620 1.2390 -5.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5830 1.8950 -6.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0820 3.2200 -6.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7850 3.2070 -5.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 2.1580 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 3.8450 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 3.4910 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 2.2410 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 1.1290 -3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 1.1760 -5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 3.2310 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 5.3930 -3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 5.8250 -5.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 3.7630 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 2.7630 -3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 3.9580 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3050 4.2420 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 4.5160 -3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 2.0170 -3.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0220 1.7480 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8290 0.6700 -3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8210 0.5450 -4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2460 0.2410 -5.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6520 1.7840 -4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8970 3.6620 -7.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8530 3.8230 -5.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 2.6410 -5.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 4.2260 -5.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0300 2.5110 -4.1050 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7510 3.0410 -3.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 13 2 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END