IBS-ZINC05051991 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.2410 0.5320 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 0.8310 3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 2.7150 1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 3.1240 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 4.5560 0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 5.4790 -0.4200 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7250 5.1550 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 6.8130 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 6.6120 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 5.1570 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 4.6420 0.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 7.4260 0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 7.9860 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 9.1270 -0.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 8.1550 -1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 7.7490 -2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 7.9140 -3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 8.4850 -2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 8.8980 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 8.7350 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 9.4700 -0.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 9.6690 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 5.4690 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 4.9950 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 4.9890 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 5.4530 1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 5.9200 2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 5.9280 1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 5.4480 2.7630 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -0.5410 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 0.9440 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 0.7060 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.2090 3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -0.2590 3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 1.2730 3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 3.0860 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 3.1060 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 2.8350 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 2.6180 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 9.8590 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 7.3140 -3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 7.6020 -4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 8.5980 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 9.0620 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 8.7150 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 10.3520 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 10.1330 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 4.6440 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 4.6320 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 6.2880 3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 6.3070 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 1.2080 1.8620 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2610 0.8450 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END