PUBCHEM-ZINC01109901 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.2220 1.5680 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 0.1180 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -0.2650 0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 0.0270 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 0.1620 -2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 0.4510 -3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 0.6050 -3.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 0.4700 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 0.1770 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -1.0450 1.3410 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -1.7490 0.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -1.6780 2.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 0.1940 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 0.5510 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 1.5210 2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 2.1380 3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 1.7780 4.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 0.8030 3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 3.1220 4.6720 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9820 3.0410 4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6190 2.0670 4.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 4.1380 5.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9220 5.2580 6.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5520 6.2770 6.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9040 6.1910 7.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6320 5.0840 6.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0150 4.0600 5.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0770 5.0000 6.9640 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.6240 5.9060 7.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7190 4.0260 6.6140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2610 1.8520 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 2.2210 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 1.6620 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 0.0230 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -0.5360 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 0.0430 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 0.5570 -4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 0.8300 -4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9110 0.5910 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 0.0680 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 0.0700 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 1.7990 2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 2.2560 4.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 0.5190 3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 3.8610 5.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 5.3250 5.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 7.1440 7.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3930 6.9920 7.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5860 3.1990 5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END