IFLAB-ZINC03855901 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.4850 0.4220 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -1.0150 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -1.7710 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -1.0550 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -0.4770 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 -0.5280 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 -1.1670 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -1.7490 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -1.6870 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -2.5800 -2.5780 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 -2.0280 -3.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -2.5990 -3.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 -4.1890 -2.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 -4.4680 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5420 -4.3590 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4520 -4.6130 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9920 -4.9640 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -5.0680 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -4.8180 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 -5.4330 2.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 -5.5200 2.8260 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.6910 -1.2440 -0.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5810 -1.0150 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 0.4290 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 0.9610 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 0.9860 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -1.5180 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -1.2990 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8040 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -1.8040 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 0.0230 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -0.0510 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -2.1400 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -4.7030 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 -4.0770 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5190 -4.5330 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7100 -5.1560 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -4.8880 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5870 -1.2960 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3270 -1.6350 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6050 0.0460 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 -5.6210 3.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 42 2 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 21 -1 M END