IFLAB-ZINC04031852 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.4620 1.1500 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -0.1240 0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -0.5460 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.8000 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -2.3530 -1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -1.6550 -3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -0.3930 -3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 0.1580 -2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -2.2750 -4.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -3.0410 -3.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -1.9580 -5.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 -2.4260 -6.6890 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9170 -3.4070 -6.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -2.6350 -7.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.8540 -7.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 -1.4540 -7.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2900 -1.9890 -8.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 -1.0610 -8.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 0.3370 -9.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2150 0.9070 -7.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -0.0240 -7.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2830 0.9940 -6.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8580 -0.4020 -6.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4880 -0.9670 -7.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 -1.3280 -6.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 1.9450 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 1.1690 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 1.3330 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -2.3540 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -3.3300 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 0.1880 -4.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 1.1390 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -1.3980 -5.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 -2.9990 -8.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -2.0660 -9.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 -1.4620 -9.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6490 1.0050 -9.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 0.2840 -10.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 1.9050 -8.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -0.0540 -8.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 0.4030 -6.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0860 1.6740 -7.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 1.4140 -5.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6180 -0.3340 -5.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9150 -1.9590 -7.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3150 -0.3250 -8.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 -0.9190 -5.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 -2.3200 -5.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -3.5600 -8.6150 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 49 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 M CHG 1 49 -1 M END