CHEMSTAR-ZINC04554487 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 0 0 0 0 0 0999 V2000 0.5510 1.6670 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 0.1500 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.3510 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -2.4790 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -3.9800 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -4.4500 0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -4.6260 -0.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -5.9840 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 -6.5650 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7410 -8.0170 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -8.4230 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -7.1020 0.2440 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -9.8090 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -10.8840 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 -11.3120 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8090 -10.1840 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8990 -8.9810 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0230 -5.6990 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 -4.6410 -0.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0320 -6.1090 0.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2920 -5.5040 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7230 -4.3560 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9780 -3.8120 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8050 -4.4110 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3880 -5.5630 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1360 -6.1180 2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6250 -7.2500 2.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4680 -7.9320 3.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 2.0100 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 2.0300 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 2.1230 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -0.2730 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -0.1810 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 0.0200 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -0.0750 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -2.2790 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 -2.0240 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -4.0880 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -9.8250 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -10.0530 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -10.5550 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -11.7760 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -11.9270 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -11.9710 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8150 -10.5960 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -9.8690 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 -8.4800 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9530 -9.3110 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8880 -6.9370 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1110 -3.8600 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3060 -2.9170 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7800 -3.9820 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0650 -5.9990 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6880 -7.3050 4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3870 -8.2780 3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9270 -8.8150 3.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -1.8370 -0.4810 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4460 -2.2400 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -2.1620 0.3070 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 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 57 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 57 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 49 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 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 M CHG 1 57 1 M END