PUBCHEM-ZINC04158356 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 -2.5910 1.6260 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 0.2990 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -0.4710 2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -1.6960 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -2.1590 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -1.3830 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -0.1580 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -3.7010 0.0410 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -3.5400 -1.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -4.0390 1.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -4.8030 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -4.8250 -1.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9690 -4.1300 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 -4.4030 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -4.2080 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5470 -3.8180 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5500 -3.4890 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8300 -3.1460 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1190 -3.1210 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1390 -3.4380 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8640 -3.7830 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7280 -4.1360 -1.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -4.1890 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -4.3960 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -5.2630 1.3520 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4550 -6.2790 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -5.4400 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -4.5220 3.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 -6.2290 -1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 2.4170 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 1.8540 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 1.6260 2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -0.1260 3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -2.2870 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -1.7170 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 0.4390 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 -3.5050 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6050 -2.8980 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1200 -2.8520 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3620 -3.4190 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -3.4070 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -4.8760 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -6.9770 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 -6.2700 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -6.5320 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -6.5250 2.6080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M CHG 1 46 -1 M END