IFLAB-ZINC05239592 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.2960 0.6990 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 1.1270 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 3.0130 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 3.4480 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 4.9790 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 5.4250 -1.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 5.4880 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 5.7040 -1.8630 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 5.6730 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3990 5.8660 -2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6390 5.7950 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7020 5.5350 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5450 5.3430 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3090 5.4170 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 5.2260 0.6380 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.2370 5.4460 0.6840 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 5.8210 -2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 6.4000 -3.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 5.5540 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 5.3480 -4.3710 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 5.6280 -4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 6.6180 -5.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 6.8540 -5.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 6.0960 -4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 5.0980 -3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 4.8610 -3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -0.3570 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 0.9880 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 0.8850 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 1.3810 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 0.0530 3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 1.6750 3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 3.2600 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 3.4900 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 3.0310 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 3.0440 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 5.4390 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 5.3660 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3400 6.0670 -3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5490 5.9440 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5970 5.1450 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 6.4020 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 4.6320 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 7.2150 -5.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 7.6270 -5.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 6.2790 -4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 4.4990 -3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 4.0650 -2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 1.5160 1.5570 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9680 1.2660 1.5430 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 17 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END