CHEMSTAR-ZINC04554072 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 1.4030 1.7130 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 0.2590 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -0.3460 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -1.6980 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -2.4610 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -1.8880 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -0.5190 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 0.1110 -2.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -2.7170 -2.1120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7540 -3.0130 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -3.9530 -1.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -4.1090 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -3.2330 -2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -3.6270 -2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 -4.7770 -2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 -5.3960 -1.3200 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 -5.4560 -1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5870 -3.8440 -3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 -2.9380 -3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3300 -5.1140 -2.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7200 -5.4250 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4700 -6.3350 -3.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -2.1250 -3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -1.8390 -3.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -1.3360 -4.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 1.8360 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 2.2610 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 2.1690 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 0.2290 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -2.1600 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -3.5110 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -0.4980 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -4.6660 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 -6.3430 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 -5.7300 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4550 -3.2500 -3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4100 -4.6370 -4.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 -2.0350 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 -2.6250 -4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9910 -4.3180 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1470 -6.2630 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5700 -4.5550 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7800 -5.6990 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5150 -6.6650 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1770 -6.1160 -4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8750 -7.1810 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -0.6430 -4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 -4.5260 -2.3290 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.9200 -3.7690 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 48 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 20 48 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END