IBS-ZINC05047318 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -1.9260 -1.3680 -5.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 -0.5560 -4.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 0.1050 -3.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2620 0.6670 -3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 0.6810 -3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 0.3820 -4.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -0.3930 -5.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 1.8190 -2.0350 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 1.3520 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 1.8140 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 1.6310 1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 1.5530 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 1.3790 3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2980 1.3900 2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6440 1.5520 1.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7430 1.2270 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3670 0.2420 2.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7480 0.0300 2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5300 0.8040 2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9350 1.7950 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5500 2.0010 1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9930 3.1020 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6920 4.1850 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9100 2.7000 -0.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2470 3.6250 -1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5710 0.4830 -1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 -0.6010 -0.7920 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3140 -2.3900 -5.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -0.9360 -6.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.4180 -5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 2.3840 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 1.5970 3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 1.2640 4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7800 -0.3880 3.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2100 -0.7440 3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6030 0.6370 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5500 2.4080 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8100 4.5620 -1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2250 3.8080 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2010 3.1850 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 0.9050 -2.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 2 0 0 0 0 M CHG 1 27 -1 M END