PUBCHEM-ZINC03710275 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.0560 1.9370 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 0.5300 -0.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -0.1170 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 0.5230 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 -0.2190 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 -1.6200 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -2.2580 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -1.5220 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.0780 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -3.4850 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 -2.4750 -0.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7290 -3.4620 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -2.6270 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -3.8460 2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 -3.7500 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8430 -2.2110 3.9110 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -1.6620 2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8310 -1.8510 -2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5840 -0.6750 -2.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0410 -0.9450 -3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5510 -2.7260 -1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3960 -2.8080 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 2.2670 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 2.4540 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 2.2030 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 1.6050 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 0.3320 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -3.3430 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.7310 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -3.8150 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -4.0150 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 -4.7530 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 -4.5120 4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9750 -0.6440 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0460 -2.8110 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 -1.6600 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5040 0.2080 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0830 -0.4070 -3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5160 -0.0360 -3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1540 -1.7350 -4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3780 -3.3770 -2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4760 -3.0620 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7560 -2.4660 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 -3.8530 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 -1.9670 -0.8650 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3190 -1.0250 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8240 -1.3470 -2.0800 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.7780 -0.6290 -1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8160 -1.3300 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 45 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 47 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 M CHG 1 45 1 M CHG 1 47 1 M END