IBS-ZINC04089903 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 39 0 0 1 0 0 0 0 0999 V2000 -0.8790 0.9160 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.3330 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.4750 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -0.2990 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -0.3280 2.6670 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5790 0.4330 2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -0.0110 3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 0.5930 5.3290 P 0 0 3 0 0 0 0 0 0 0 0 0 -0.4590 1.7680 5.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 0.8670 6.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 1.2040 7.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -0.0160 8.7760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7970 -0.7990 8.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 0.4760 10.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 0.5700 10.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -0.6950 5.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -1.2180 5.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -1.6780 3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -2.6280 2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 1.8290 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 0.9050 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 0.9740 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -1.2060 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 0.3770 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -1.3880 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -0.5320 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -1.1440 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 0.6080 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -0.8860 4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 0.7820 3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -0.0010 6.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 1.7080 6.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 1.7330 8.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 1.9130 7.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 0.6850 10.8320 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2530 -0.6260 8.3230 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3860 -1.5590 8.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -0.7020 7.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -0.0420 8.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -1.6700 4.1710 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 35 -1 M CHG 1 36 1 M CHG 1 40 -1 M END