PUBCHEM-ZINC05465040 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 1.8260 1.6240 2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 0.2940 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -0.8470 2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -1.8840 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 -3.1530 2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -4.1020 1.2190 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4260 -4.9330 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -4.1720 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -3.0570 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -2.2460 -0.4940 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3190 -3.2760 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -1.3610 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -0.1560 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 0.6860 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 1.8210 -0.9490 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6790 -1.4530 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -1.6100 -2.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -3.6210 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -5.2000 -2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -5.0510 2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 0.4050 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 1.6070 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 2.4660 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 1.8360 3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -0.5060 3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -1.2630 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.5150 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -5.7320 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -5.4540 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -3.5450 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -2.3780 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 -2.7810 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 -3.9410 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -3.1060 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -4.4330 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -2.9170 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -6.0090 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -4.7230 -2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -5.6570 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 -5.6810 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 -5.7160 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 -4.4960 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 1.2050 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -0.5270 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 0.6270 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 0.1880 -1.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 -0.7980 -0.4240 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 46 2 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 M CHG 1 15 -1 M CHG 1 47 -1 M END