IFLAB-ZINC04939505 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 2.0120 0.8350 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 0.7370 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.6910 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 -1.3750 -2.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -2.6920 -3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -3.3500 -3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -2.6930 -3.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -1.3670 -3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -0.6850 -3.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -1.1710 -4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -2.3040 -4.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -0.1530 -4.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -0.2270 -5.6110 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5120 0.3490 -5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 0.4490 -6.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -0.3600 -7.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -1.8520 -7.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 -3.3330 -7.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -3.7870 -5.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 -2.3030 -4.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 -5.4030 -7.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 1.8780 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 0.4650 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 0.2530 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 1.3670 -3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 1.1620 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 -0.8750 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 -3.2000 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -4.3760 -3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -3.2530 -4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 0.2730 -3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -0.3620 -3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 0.8600 -4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -1.4500 -8.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 -1.2690 -7.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 -3.4390 -8.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -3.9080 -7.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -4.3740 -5.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -4.1990 -4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -1.7220 -5.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -2.2150 -3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -5.9640 -6.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 -5.4480 -8.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -5.7730 -6.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 1.7020 -6.6800 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9960 -1.6960 -5.9380 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0750 -2.1970 -5.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 -3.9570 -6.7120 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5970 -3.4700 -6.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 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 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 15 16 2 0 0 0 0 15 45 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 17 46 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 48 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 46 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 48 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 45 -1 M CHG 1 46 1 M CHG 1 48 1 M END