IFLAB-ZINC04139566 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.4670 -2.3360 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -2.2070 -0.9270 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0700 -2.5930 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -0.7310 -0.3560 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6700 -0.7960 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -0.2710 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -0.2640 1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 0.2030 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 0.5460 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 0.3140 -1.0880 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 -0.1500 -1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 0.8830 -2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 2.6770 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 1.5890 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 3.2590 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 4.4920 -1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 5.7050 -2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 6.8400 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 6.7750 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5140 5.5780 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1390 4.4410 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -3.1230 -0.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -3.9230 1.2450 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -4.3700 2.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -3.1100 1.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -5.3510 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -3.3480 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -1.6350 -3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -2.1850 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -0.5930 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 0.2770 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 0.9240 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -0.3550 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -1.0750 -2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 1.0390 -3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 0.5560 -2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 3.5920 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 2.8910 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9780 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 1.4640 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 2.7740 -3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 3.4950 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 5.7820 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 7.7780 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1180 7.6610 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3470 5.5340 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6940 3.5180 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -2.9640 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -5.9010 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -5.9780 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -5.0280 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 0.2890 -1.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 2.2250 -1.8700 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5290 2.0890 -1.0360 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 4 1 0 0 0 0 2 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 52 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 52 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 53 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END