PUBCHEM-ZINC03737261 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.1200 1.9370 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 0.4600 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -0.2810 1.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -1.6470 1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -2.3850 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -3.7870 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -4.4230 1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -3.7130 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.3060 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -4.6710 3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -5.9250 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -5.7660 1.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -6.5090 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -7.2320 3.1110 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9390 -7.6140 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -5.7670 4.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -4.4860 3.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -8.2650 3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -7.8850 4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -8.8390 4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -10.2000 4.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -10.5870 3.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -9.6330 3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -9.9240 2.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 -11.2870 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -11.2520 4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -8.5550 5.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -7.1880 5.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 2.1780 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 2.5520 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 2.2040 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 0.2440 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 0.2170 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -1.9010 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -4.3520 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -1.7260 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 -5.9380 3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 -5.7360 4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 -3.6480 3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -4.2510 4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -6.8300 4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -11.6490 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -11.6880 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -11.3280 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -11.8940 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -11.0810 4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -12.2570 4.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -11.2330 6.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 -7.1520 5.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -6.6800 6.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -6.6760 4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -6.9730 4.2280 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8080 -6.8720 5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -7.8220 4.3310 H 0 0 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 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 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 52 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 52 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 52 1 M END