IBS-ZINC02219477 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.6850 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0720 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7400 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -4.1400 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -4.7470 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -3.9940 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.6330 -2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -1.9720 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6360 -1.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.9720 2.7330 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -1.6010 3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -2.1560 5.3400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9830 -2.7550 5.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -1.0150 6.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -0.6880 6.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -0.3570 6.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 0.7530 7.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 1.8480 7.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 2.2380 5.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 0.2480 8.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -0.7750 9.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 1.3210 7.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 2.4040 8.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -2.9930 5.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -2.4620 5.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -1.2920 5.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -3.3220 5.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1370 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.7330 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -5.8250 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -4.4970 -3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -2.0630 -3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -0.9790 3.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -1.0020 3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -0.6180 6.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 1.4690 7.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 2.7100 7.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 2.9310 5.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 1.0730 9.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -0.1570 8.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -1.1420 10.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 0.5410 8.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 1.6810 6.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 2.8130 8.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -3.9290 5.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -3.7180 6.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -2.7240 5.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -4.1480 4.9430 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 11 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END