PUBCHEM-ZINC02457520 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 0.2720 0.4080 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 0.0420 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 0.4210 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 1.1670 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 1.5370 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 1.1550 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 1.6370 -2.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 1.9660 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 2.2580 -1.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 0.0280 2.2210 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0140 0.4390 3.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -0.7080 2.4110 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3120 -0.7700 0.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0850 -1.5810 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -1.3450 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -0.7640 -1.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -2.5050 -1.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -3.0070 -3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -4.5350 -3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -4.8260 -4.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -3.5140 -4.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -2.4220 -4.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -0.6460 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 0.2350 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 1.5120 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 2.2360 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 1.2970 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 0.1070 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 1.4620 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 1.1170 -2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 2.8410 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -3.0080 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -2.7380 -3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -4.9040 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -5.0080 -3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -5.6540 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -5.0460 -5.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -3.4580 -3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -3.4290 -5.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -2.2530 -5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -1.4950 -3.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -1.5490 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -0.9180 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 -0.3070 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 0.4960 2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 1.2530 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 2.1620 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 3.1230 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 2.5290 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 1.0150 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 1.8040 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 0.0910 0.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 52 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END