IBS-ZINC04940537 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.1440 1.6500 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 0.1530 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -0.4800 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -1.8720 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -2.6510 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -2.0240 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -0.6280 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -4.1290 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -4.5930 1.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -5.0080 -0.9830 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5950 -5.4610 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -6.8870 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -7.4340 -1.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -7.3490 -1.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -6.3620 -1.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8710 -6.6670 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -6.3020 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -6.4450 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -6.3850 -2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -6.1820 -3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -6.0380 -4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -6.0980 -3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 -6.1270 -4.2230 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -8.7200 -1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -9.5450 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -9.2560 0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -4.7830 -0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 2.0440 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 1.9750 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 2.0840 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 0.1060 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -2.3450 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -2.5860 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -0.1530 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -6.6170 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 -6.5030 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -5.8900 -5.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -6.0020 -3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -8.6550 -2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -9.2750 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -4.4810 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -10.4280 -1.4040 O 0 5 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 2 7 2 0 0 0 0 3 4 2 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 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 27 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 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 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 42 -1 M END