IBS-ZINC02197252 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 0.5250 2.4640 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 1.1420 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 3.1820 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 3.8090 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 4.9500 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 5.6490 0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 6.5260 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 6.8460 -1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 7.0840 -1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 6.8050 -1.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 7.8130 -2.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 8.4140 -3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 9.0700 -4.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 9.5680 -5.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 9.2780 -5.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2990 8.3500 -3.8000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 1.5710 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 3.1390 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 2.9570 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 1.7270 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 0.2980 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 0.7760 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 3.8960 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 2.7740 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 4.1900 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 3.0550 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 4.5710 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 5.6690 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 5.5070 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 7.9310 -2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 10.1410 -6.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1570 9.5560 -5.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 2.0280 0.3240 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0800 1.4460 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 33 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 33 34 1 0 0 0 0 M CHG 1 33 1 M END