IBS-ZINC05209887 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 1 0 0 0 0 0999 V2000 -0.7580 2.1980 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 0.7130 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 0.2340 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -0.1360 -0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -0.8640 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -0.8290 -2.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -1.7050 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -2.4770 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 -3.3510 -1.6600 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 -4.2320 -2.6900 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7120 -4.7250 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4910 -3.4730 -3.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 -2.8150 -4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -3.3420 -5.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 -5.3400 -1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 -5.0440 -0.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 -1.7200 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 -2.3460 0.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -0.9520 1.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -0.1790 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 0.4190 2.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 2.8080 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 2.5200 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 2.4230 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 0.6360 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.3660 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -0.8290 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 0.7930 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -2.4750 -2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 -3.4450 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2580 -4.1520 -3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0260 -2.7070 -3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -0.9600 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5150 -1.8210 -5.2670 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.5260 -6.4140 -2.5970 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 M CHG 1 34 -1 M CHG 1 35 -1 M END