IBS-ZINC06757615 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.9660 1.1940 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -0.3120 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -1.0600 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -2.4420 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -3.0810 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -2.3320 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -0.9400 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -3.0140 -2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -4.3490 -2.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -4.4980 -3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -3.2730 -4.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -2.4360 -3.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -5.8040 -4.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -6.2190 -4.8630 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -7.3640 -6.0500 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -7.6060 -6.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -6.9460 -7.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -8.8570 -5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -9.4140 -6.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -10.5840 -5.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -11.1980 -4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -10.6410 -3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -9.4680 -4.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -8.8690 -3.6520 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3310 -9.4710 -2.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -7.7730 -3.9990 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0490 1.5500 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 1.6040 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 1.5160 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -0.5640 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -3.0220 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -4.1600 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -0.3550 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -5.6770 -5.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -6.5650 -3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -5.8240 -4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -8.9340 -6.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -11.0190 -6.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -12.1130 -4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -11.1210 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 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 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END