PUBCHEM-ZINC00597051 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 0.7910 1.3540 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 1.0120 2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 3.0410 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 3.4610 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 4.9280 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 5.3830 -1.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 5.4370 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 5.1170 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 5.2820 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 5.7450 -1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 6.0480 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 5.8960 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 6.1150 -2.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 5.8000 -2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 5.9330 -2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 5.6470 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 5.7910 -2.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 6.2240 -4.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 6.5190 -4.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 6.3840 -4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 6.6910 -4.9230 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3590 6.5550 -4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 7.0900 -6.1340 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9490 6.3910 -5.0580 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.2220 5.9420 -1.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1870 5.7050 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 0.2850 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 1.9410 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 1.6510 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 1.5630 2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -0.0460 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 1.1140 2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 3.6380 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 3.1350 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 3.3030 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 2.8300 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 5.0630 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 5.6080 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7060 4.7510 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0980 5.0350 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3860 6.4060 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 5.3080 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 5.5640 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 6.8590 -5.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 6.8190 -4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1880 4.6540 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0260 6.3660 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1740 5.9330 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 1.5870 0.8950 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0320 1.0540 0.6720 H 0 0 0 0 0 0 0 0 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 1 49 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 14 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 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 45 1 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 49 1 M END