PUBCHEM-ZINC05557906 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.0880 1.6250 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 1.1540 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 1.4030 3.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 0.9300 3.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 1.6250 2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 1.3820 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 0.5670 5.1480 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 0.0350 4.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -0.1740 6.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 2.1590 5.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 2.8330 5.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 4.0620 6.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 4.6060 7.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 3.9090 7.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 2.6830 6.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 4.4570 8.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 4.3120 8.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 5.0490 9.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 5.6920 10.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 5.8540 10.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 6.5030 11.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 7.0010 12.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 6.8430 12.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 6.1930 11.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 7.3630 13.7800 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8150 7.9100 14.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 7.2240 13.7500 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1150 0.5550 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 2.0190 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 2.1800 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 1.5740 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 0.0850 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.8590 4.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 2.4710 4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 1.2400 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 2.6990 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 0.3170 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 1.9570 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 2.4140 4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 4.5970 5.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 5.5780 7.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 2.1440 7.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 5.0130 9.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 5.4860 9.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 6.6170 11.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 7.5010 13.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 6.0750 11.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 1.8320 1.4740 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6960 2.8450 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 48 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 48 1 M END