IBS-ZINC06662402 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -0.0630 1.1500 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -0.2180 -0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.6560 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 0.1570 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -0.3750 2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -1.7280 3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -2.5460 2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -2.0200 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -2.7490 0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -4.1230 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -2.3350 4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -3.2820 4.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -1.7990 4.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -2.3130 5.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 -1.8430 7.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 -2.4170 8.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 -1.7700 8.9160 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0800 -0.8550 8.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1950 -2.5050 9.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0140 -2.2440 10.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4680 -3.6240 9.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 -4.3760 10.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -3.6010 8.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 -4.4400 8.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 1.3980 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 1.3160 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 1.8040 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 1.2150 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 0.2960 3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -3.5930 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -4.2480 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -4.5370 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -4.6800 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -1.0500 4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 -3.4080 5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -1.9720 5.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -0.7490 7.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -2.1270 7.2350 H 0 0 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 23 2 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 17 1 M END