PUBCHEM-ZINC01053227 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 0.3720 1.7640 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 0.3210 -0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -0.2210 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 0.5570 2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 0.0180 3.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -1.2950 3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -2.0720 2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -1.5410 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.6670 -1.4730 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -1.8010 -1.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 0.1630 -2.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -1.2490 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -2.4900 -1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -2.9500 -1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -2.1640 -2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -0.9180 -3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -0.4670 -2.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -2.6270 -3.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8240 -2.3280 -4.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -1.5800 -5.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 -2.9110 -4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2680 -2.7060 -4.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4610 -3.2520 -4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5070 -4.0020 -5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3580 -4.2080 -6.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1570 -3.6730 -5.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 -3.9010 -6.7350 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9650 -4.6050 -7.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 -3.3840 -6.3930 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4310 1.9950 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 2.0780 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 2.2930 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 1.5820 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 0.6220 4.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -1.7140 4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -3.0970 2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -2.1490 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -3.1010 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -3.9190 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -0.3050 -3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 0.5000 -3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8670 -3.1620 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2340 -2.1200 -3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3620 -3.0940 -3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4440 -4.4270 -5.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 -4.7930 -7.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 9 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 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 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END