PUBCHEM-ZINC00690221 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 74 0 0 0 0 0 0 0 0999 V2000 -0.5320 0.7910 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.5270 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -0.7460 0.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 0.3930 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 1.7700 0.5220 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 0.4490 1.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 1.5730 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 2.7150 0.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 1.2670 1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3770 1.9690 0.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7900 3.2890 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2110 3.5840 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1180 3.6490 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 1.3370 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4100 0.2010 -0.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7460 2.0940 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 2.0460 -2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1810 2.7180 -3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5800 2.1150 -3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1130 2.1360 -2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1440 1.4670 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -1.6870 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -2.1310 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -1.7680 -1.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -2.9880 -1.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -3.5120 -2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -4.5540 -2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -5.5720 -3.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 -5.7510 -5.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -6.4980 -6.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -5.8210 -6.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -5.6410 -4.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 1.2160 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -0.4610 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 1.5760 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 0.1900 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 4.0620 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9130 2.7640 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 4.5150 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 4.6260 2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 2.8860 3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 3.1480 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0540 1.0070 -3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 2.5400 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8020 2.6190 -4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2310 3.7920 -3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5540 1.0800 -4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2630 2.6660 -4.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 1.6280 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 3.1740 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5400 1.5420 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0890 0.3940 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -2.5260 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -1.4210 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -3.2340 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -2.6650 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -3.9480 -2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -5.4950 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -4.1760 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -4.9480 -3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -6.5320 -3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 -6.2980 -5.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 -4.7690 -5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -7.5320 -5.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -6.5440 -7.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -6.4170 -6.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -4.8430 -6.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -6.6010 -4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -5.0680 -4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -4.8670 -3.9910 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6700 -3.9620 -4.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 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 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 70 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 70 71 1 0 0 0 0 M CHG 1 70 1 M END