PUBCHEM-ZINC06360565 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 -0.5660 -1.3330 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 0.0000 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 0.6160 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 1.6820 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 1.5710 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 2.6120 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 3.7900 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 3.9090 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 2.8770 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1250 4.8200 -1.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 5.9940 -0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 0.1340 1.7480 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5220 -0.7800 2.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 0.6180 2.4730 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7460 0.6120 -1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 1.8220 -1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 2.5220 -2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 1.8660 -3.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 2.5540 -4.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 3.9050 -5.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 4.5610 -3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 3.8880 -2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 4.5810 -6.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 5.9570 -6.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 2.3500 -0.2440 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2520 1.6380 0.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 3.5310 -0.1740 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.0020 -2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -1.7130 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -2.0370 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -1.2130 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 0.6630 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 2.5300 -2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 4.8220 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 2.9690 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 6.3950 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 6.7410 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6340 5.7420 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 0.8240 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 2.0560 -5.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 5.6040 -4.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 4.3950 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 6.0390 -6.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 6.5020 -5.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 6.3790 -7.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -0.5750 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.7860 -3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -0.6630 -3.2550 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 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 12 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 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 25 1 M CHG 1 27 -1 M END