IFLAB-ZINC05241610 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.1120 1.5330 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 0.0040 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -0.5860 1.4250 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -2.3380 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -3.1540 2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -4.5180 2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -5.0890 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.2670 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -2.9040 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -6.5550 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -7.2690 1.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -7.1040 -0.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -8.4820 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -9.1380 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -10.5840 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -10.9740 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -9.5900 0.7350 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -12.4250 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -13.2630 -0.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -12.9160 -2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -11.5450 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -14.3150 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -14.9320 -1.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -14.7250 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -8.4500 -2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -8.1460 -3.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -8.1530 -2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 1.9170 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 1.8880 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 1.8860 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -0.3790 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -0.3490 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.7120 3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -5.1500 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -4.7050 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -2.2680 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -6.5350 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -12.6600 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -12.6000 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -12.8800 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -13.6650 -2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -11.6360 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -11.1680 -3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -14.0080 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -14.7460 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -15.7160 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -8.3940 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -7.6970 -3.1900 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 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END