NIH-ZINC00452829 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.2830 1.6190 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 0.0960 -0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5770 -0.2760 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -0.5050 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -2.0290 1.1710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2480 -2.4520 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -2.4250 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -0.3210 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -2.3320 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 -2.1360 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 -2.7510 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -3.2470 -0.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -2.6610 -2.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7410 -3.1290 -2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6230 -3.7720 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8750 -4.2080 -2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2580 -4.0060 -3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 -3.3670 -4.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1320 -2.9290 -4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8450 -3.1120 -6.3680 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -2.6090 2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 1.9260 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 2.0500 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 2.0540 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -0.2460 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -0.0670 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -3.5140 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -2.0620 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 0.0510 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 0.0420 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -1.8060 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -3.4000 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -1.0740 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -2.6150 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 -2.2110 -3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3710 -3.9520 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5500 -4.7060 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2320 -4.3480 -4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 -2.4320 -4.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -2.2250 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -3.7010 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -2.3530 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -1.8330 0.0680 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9470 -2.1880 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 43 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END