IBS-ZINC04137408 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.2730 0.4690 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 0.8070 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 2.6870 1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 3.1030 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 4.5370 0.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 5.4610 -0.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6850 5.1400 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 6.7960 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 6.5950 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 5.1390 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 4.6230 0.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 7.4120 0.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 7.9690 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 9.1100 -0.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 8.1390 -1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 7.7300 -2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 7.8970 -3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 8.4740 -2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 8.8900 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 8.7240 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 9.4680 -0.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 9.6910 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 5.4470 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 4.9820 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 4.9640 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 5.4060 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 5.8660 2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 5.8890 1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 6.4060 4.1000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -0.6020 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 0.8520 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 0.6450 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 1.1580 3.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -0.2800 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 1.2780 3.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 3.0300 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 3.1000 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 2.8140 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 2.6030 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 9.8430 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 7.2910 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 7.5820 -4.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 8.5880 -3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 9.0540 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1690 8.7450 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 10.3730 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 10.1660 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 4.6440 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 4.6140 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 5.3940 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 6.2580 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 1.1810 1.8490 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2730 0.8450 1.4630 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 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 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