IBS-ZINC02129748 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.9560 0.5930 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -0.7840 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -1.2510 1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.7110 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -2.0470 -0.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8450 -2.5850 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -1.6460 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -1.8510 -1.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -2.9280 -1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -3.8150 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -4.0400 -0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -4.5220 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -4.8540 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -5.2030 -4.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 -4.1930 -5.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -4.3650 -6.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -5.6820 -6.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -5.9010 -8.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -7.1970 -8.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -8.2890 -7.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -8.0850 -6.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -6.7840 -5.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -6.5360 -4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -7.4830 -3.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 0.5550 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 0.9320 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 1.3430 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -1.4760 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -2.2710 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -1.2440 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -0.5980 2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 0.0000 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -0.2690 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -2.8350 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -5.4340 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -3.8840 -3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -3.9890 -2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -5.6820 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -3.1770 -4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -5.0500 -8.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -7.3530 -9.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -9.2970 -8.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -8.9380 -5.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 -1.1860 0.7240 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 44 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 M CHG 1 44 -1 M END