IBS-ZINC01829066 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.1880 1.8140 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 0.5480 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.2050 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 0.2920 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 1.5790 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 2.3310 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 -0.4650 -0.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 0.1820 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.3440 -0.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 -0.7470 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1030 -0.4070 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2660 -1.2210 -0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4520 -0.4610 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7540 -0.9330 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8160 -0.0290 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 1.3510 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2940 1.8400 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2510 0.9310 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5400 1.3560 -0.1770 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3810 -2.6760 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 -3.3230 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3050 -4.8420 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4890 -5.6580 2.6220 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8650 -5.3460 3.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4560 -5.0400 3.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 -2.3490 -0.1040 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -1.8270 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 -2.9160 0.6240 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 2.3980 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 0.1470 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -1.1640 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 2.0120 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 3.3210 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9800 -1.9940 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8280 -0.4060 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4210 2.0410 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1080 2.9090 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5850 -3.0900 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2870 -2.9650 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2960 -3.0350 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 -2.9500 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 -5.1420 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0910 -5.2320 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -7.0610 2.2870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 M CHG 1 44 -1 M END