IBS-ZINC04834851 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 35 0 0 1 0 0 0 0 0999 V2000 0.0740 1.5530 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 0.0360 0.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1080 -0.2510 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -0.5270 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -1.2380 0.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -0.5290 -1.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -0.4300 -2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 0.1510 -2.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -1.0670 -3.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -1.1010 -4.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.7610 -5.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -1.7970 -7.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -2.4350 -8.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -3.0100 -7.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -2.3410 -9.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -2.9080 -10.5910 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8430 -2.6170 -10.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -4.4260 -10.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.3520 -11.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -1.6450 -11.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 1.8590 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 2.0110 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 1.9780 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.0440 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -1.5250 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -1.6390 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -0.0710 -5.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -1.2210 -5.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -2.7890 -5.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -1.3420 -7.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -1.8300 -9.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -4.8790 -9.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -4.7360 -10.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -4.8510 -11.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -0.2270 2.3800 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2930 -2.6540 -12.9220 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 M CHG 1 35 -1 M CHG 1 36 -1 M END