PUBCHEM-ZINC05423188 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.4250 1.7160 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 0.3170 0.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -0.0660 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 0.8800 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 0.4800 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -0.8700 -2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -1.8100 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -1.4240 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -2.4380 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -2.1000 1.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -3.7400 0.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -4.7490 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -5.9820 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -7.0560 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -6.2540 1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -5.1560 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -8.5370 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -9.8380 1.8600 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2340 -9.7640 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -11.0190 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -11.9780 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -11.5320 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -10.0970 0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -1.2850 -3.3660 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1200 -2.3140 -3.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 -0.5990 -3.6400 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6760 1.4300 -2.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 2.2480 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 2.0830 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 1.8860 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 1.9260 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -2.8540 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -4.0100 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -4.3380 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -6.3700 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -5.7070 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -7.9410 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -6.6720 3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -5.8740 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -6.5560 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -4.2920 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -5.5310 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -8.5980 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -8.3830 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -11.5080 3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -10.6780 3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -13.0160 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -11.8340 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -11.9810 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -11.7890 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 2.3640 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 1.1600 -3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -7.4120 1.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 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 31 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 24 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 53 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END