IBS-ZINC00541494 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -2.0250 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -2.6710 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -0.5350 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1050 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 -2.6190 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 -1.8920 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4510 -2.4910 0.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0680 -2.0010 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3720 -3.9190 -0.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 -4.6230 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4960 -5.8640 -0.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8150 -5.9900 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3870 -4.8240 -0.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -4.0190 0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0670 -2.2900 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2420 -1.5730 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8060 -1.3890 2.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1960 -1.9220 3.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0220 -2.6400 3.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4600 -2.8280 2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8010 -1.7250 5.2620 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.8350 -1.0920 5.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2630 -2.1940 6.2490 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -2.5990 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -3.7500 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 0.0430 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 1.1840 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -0.8160 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3270 -6.9080 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -4.5440 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7180 -1.1560 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7240 -0.8280 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5450 -3.0560 4.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 -3.3920 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 18 37 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 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END