PUBCHEM-ZINC04102252 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 0.0850 1.5240 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 0.0280 -0.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5020 -0.2060 1.4020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5290 0.1910 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 0.4100 2.5770 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1920 0.9590 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -0.7900 3.4410 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1250 -1.3420 2.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -2.3970 4.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4400 -2.6940 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -3.6030 3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -3.2490 3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.8550 3.2260 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2770 -1.5420 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -1.6820 1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -2.6300 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -2.2470 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -3.0630 -1.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.8090 -1.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3540 -0.8570 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -0.2160 -1.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -1.6480 5.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -1.9050 6.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -0.5250 4.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 1.4360 3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 0.9690 4.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -0.4240 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -1.6100 -0.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 1.9020 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 1.7030 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 2.1450 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -0.5570 3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -1.7760 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -4.4000 4.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -4.0160 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -3.2680 4.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -4.0400 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -3.6810 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -0.8150 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -2.7170 6.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -1.3070 7.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -0.5530 5.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 0.4400 5.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 2.6430 2.9660 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3860 0.4320 -0.0460 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 44 -1 M CHG 1 45 -1 M END