IBS-ZINC05207416 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3850 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 1.1940 -0.6930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0110 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4220 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1010 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 2.1400 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 3.3560 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 1.3940 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -0.0010 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -0.6350 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 2.0500 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5710 2.2710 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9390 2.9570 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4020 3.1750 2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 2.8180 3.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5890 3.7670 3.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0140 3.9680 4.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3160 3.6080 5.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4490 3.1740 5.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0770 3.9770 6.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 3.8750 7.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8720 4.3520 8.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0260 4.9340 8.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2180 5.0440 6.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2430 4.5660 6.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1470 4.5250 4.6850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5500 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -1.7730 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 3.1800 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 1.4190 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 3.0110 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 2.9020 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 1.3100 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6570 2.3260 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 3.9170 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1450 4.0530 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0040 3.4230 8.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7330 4.2720 9.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7800 5.3040 8.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1190 5.4990 6.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 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 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 27 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 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 M END