PUBCHEM-ZINC04565948 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.4220 -0.6580 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -1.9480 0.7790 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2520 -2.6200 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -2.6160 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -3.8920 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -4.5040 3.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.8400 4.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -2.5640 4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -1.9500 3.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -1.6180 0.9910 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9520 -1.0600 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -2.8970 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -3.2090 2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 -4.3820 2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -5.2430 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -4.9300 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -3.7550 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -0.8300 -0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 -0.2120 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 0.9120 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 1.5390 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 1.0520 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 -0.0580 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 -0.6850 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -1.8670 -1.4900 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5210 -2.4820 -1.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -2.2240 -1.8990 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4250 1.4270 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 0.9470 1.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -0.8980 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.1480 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -0.0090 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -4.4100 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -5.5010 3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -4.3190 5.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -2.0460 5.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -0.9520 3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -2.5370 3.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 -4.6270 3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -6.1600 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -5.6030 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -3.5090 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 2.4050 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9130 1.5370 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 -0.4330 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 2.4300 2.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 2.7350 2.9240 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 4 1 0 0 0 0 2 10 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 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 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END