IFLAB-ZINC04194908 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -0.7510 1.4600 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -0.0500 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -0.3710 -1.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -1.7020 -1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -2.5810 -0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -1.9540 -2.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -3.3300 -2.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -3.5700 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -1.1100 -3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -0.9140 -3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 -2.7700 -3.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 -2.2760 -5.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8290 -1.1840 -5.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0280 -2.9250 -5.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3080 -2.3560 -7.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4320 -2.7990 -7.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6940 -2.1800 -8.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8110 -2.5390 -9.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6830 -3.5280 -9.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4180 -4.1480 -8.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3010 -3.7870 -7.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8300 -3.9550 -9.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2940 -3.4820 -11.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8030 -2.5990 -11.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5520 -4.1950 -11.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -2.6150 -6.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -2.4680 -7.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 1.8980 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 1.8850 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 1.7550 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -0.4590 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -0.4730 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -4.0460 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -3.4910 -3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -3.4820 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -4.5540 -3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -0.4180 -4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -0.9770 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -0.9900 -4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 0.0880 -3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 -3.8520 -3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -2.2670 -3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8440 -2.7100 -5.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 -4.0060 -5.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -1.4070 -9.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9680 -2.0270 -10.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0770 -4.9230 -7.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1440 -4.3010 -6.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3710 -4.6900 -9.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3640 -5.2700 -11.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8720 -3.8230 -12.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3480 -4.0120 -10.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -2.5270 -3.7770 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5330 -2.6410 -4.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 53 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 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 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END