IBS-ZINC05155987 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7010 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7790 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0820 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.8190 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -3.9000 -2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -4.2890 -4.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -3.4410 -4.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -2.5600 -3.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -1.5390 -3.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -1.3930 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -0.3850 -2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 0.4790 -3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 0.3370 -4.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -0.6660 -4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 1.2640 -5.9160 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5560 2.1520 -5.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 1.1400 -6.8130 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1350 -5.3720 -4.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -6.0240 -4.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -6.9600 -4.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -5.6980 -2.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -4.6740 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -4.4020 -0.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -6.4810 -2.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -5.7990 -6.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1620 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6220 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -3.8590 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1410 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -3.4550 -5.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 -2.0680 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -0.2720 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 1.2660 -3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -0.7740 -5.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 -7.2630 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -5.8270 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -6.9350 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -5.2650 -6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -6.8710 -6.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -5.5790 -6.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 12 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 22 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 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 28 1 0 0 0 0 26 27 2 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END