IFLAB-ZINC00952046 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 2.4430 0.7620 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -0.0580 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -0.5620 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -1.2440 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -1.1680 -0.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -0.4140 -0.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -1.7380 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -1.0840 -3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -1.6490 -4.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -2.8640 -4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -3.5170 -3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -2.9600 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -1.8840 0.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -0.3810 2.5890 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9630 0.1100 2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -1.7480 3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -2.5300 3.0880 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2170 -2.0100 3.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -3.6990 2.7520 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1370 0.4680 2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 1.8060 3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 2.5850 3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 2.0250 3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 0.6850 3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.0910 2.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 3.0020 3.6840 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 0.0990 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 1.4360 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 1.3440 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -0.1350 -3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -1.1400 -5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -3.3030 -5.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -4.4660 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -3.4740 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -1.3580 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -1.6130 4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -2.2760 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 2.2430 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 3.6310 3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.2480 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -1.1360 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END