IBS-ZINC05176897 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.1360 1.6510 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 0.1470 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -0.5210 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -1.9190 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -2.6990 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -2.0190 0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -0.6120 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 0.0450 1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -4.1510 -0.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -4.8680 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -4.3510 2.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -6.3520 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -7.0670 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -8.4190 2.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -9.1750 3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -8.6170 4.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -9.3800 5.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -10.7170 5.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -11.2920 4.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -10.5400 3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -11.2030 2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -10.4770 1.0780 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0360 -7.0080 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -8.2120 -0.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -6.1470 -1.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.7760 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -4.2150 -2.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 2.0260 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 2.0200 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 2.0710 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 0.0410 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -2.3770 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -2.5780 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 0.6110 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -0.6910 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 0.7180 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -6.5300 2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -9.0330 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -7.5810 4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -8.9270 6.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -11.3130 6.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -12.3400 4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -6.5810 -2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -12.4180 2.1900 O 0 0 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 9 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 2 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 22 -1 M END