IBS-ZINC02128004 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 0.7030 0.6270 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -0.4090 -0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -0.8070 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -1.8460 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -2.3480 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 -1.8230 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -0.7730 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -0.2710 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1210 -2.3570 0.1630 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1720 -3.4170 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 -2.1920 1.8870 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 -0.8080 1.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1760 -3.4170 1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9390 -3.4590 3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0690 -4.4560 3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8460 -5.7970 3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8860 -6.7250 3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1550 -6.3210 2.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3860 -4.9900 2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3470 -4.0610 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8100 -2.6710 2.9030 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7060 0.8180 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 1.5570 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 0.3230 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -2.2670 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -3.1540 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -0.3380 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 0.5370 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8500 -3.1620 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7410 -4.3970 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2570 -3.7090 3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3320 -2.4630 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8570 -6.1220 3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7050 -7.7630 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9630 -7.0440 2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3740 -4.6760 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5340 -3.0270 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1170 -1.5810 -0.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6340 -1.0460 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4630 -0.8670 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 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 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 M CHG 1 21 -1 M END