IBS-ZINC05347439 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 0.1450 1.5530 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 0.1910 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -0.5460 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 0.1060 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 1.4740 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 2.1980 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 3.6600 -0.6860 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3330 4.2960 -0.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 4.2260 -0.8880 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8260 -0.6300 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -2.1310 -0.4310 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2400 -2.3430 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -2.5390 0.5670 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7590 -2.2000 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -1.9210 0.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -2.2510 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -3.7660 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -4.4640 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -4.0630 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 -2.8940 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 -2.5050 0.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 2.1160 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -0.3090 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 1.9800 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -0.2740 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -0.4480 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -1.9170 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -1.7530 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -4.0150 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -4.0980 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -4.1620 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -5.5440 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -4.4040 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -4.5180 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 -4.0040 -0.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 -4.4590 -0.6180 H 0 0 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END