PUBCHEM-ZINC06821254 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -1.8270 -0.5850 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -1.7360 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -1.2700 -2.4160 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3800 -0.5080 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -2.5260 -3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -2.9620 -3.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -0.7910 -2.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 0.5850 -3.5620 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 0.6790 -3.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 0.6380 -4.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 1.8770 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 2.2380 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 3.2430 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 3.8720 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 3.4950 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 2.5170 -2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 4.3130 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 4.2690 -1.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 5.1940 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 4.9180 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 5.6250 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 6.6050 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 6.8620 1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 6.1430 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 8.1240 2.2670 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 7.9140 1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 8.1660 3.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 9.5130 1.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 9.8480 0.1310 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4260 9.0000 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 10.3680 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 9.2810 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 11.0330 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 11.5590 1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -0.1020 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 0.1690 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -0.9550 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -2.4620 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -2.2540 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -1.6100 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 1.7240 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 3.5040 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 2.2560 -3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 5.4430 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 7.1780 2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 6.3220 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 10.3600 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 10.7870 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 11.1850 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 9.6850 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 8.8930 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 8.4480 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -2.9450 -3.5450 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.6640 11.3180 -0.5940 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 53 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 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 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 34 2 0 0 0 0 33 54 1 0 0 0 0 M CHG 1 53 -1 M CHG 1 54 -1 M END