IFLAB-ZINC04942297 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -1.8840 0.1380 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -1.1680 -0.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -1.2530 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.3040 1.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -2.6630 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -3.1640 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -2.4730 3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -2.8510 4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -2.3080 6.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -1.3780 6.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -1.0000 5.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -1.5460 3.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.8730 7.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -1.5250 8.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 0.3250 7.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 0.9710 9.1050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2580 0.1920 9.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 1.8790 9.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 1.1010 10.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 2.2140 10.9470 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 0.9960 11.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 1.9070 8.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 2.1760 7.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -3.6930 -0.0740 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -2.3540 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -2.5730 -2.8060 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 0.2790 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 0.1740 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 0.9490 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -4.2470 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -3.5850 4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -2.6270 7.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -0.3120 5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -1.2520 3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 0.8690 7.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 2.4420 10.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 2.6210 8.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 0.6540 9.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 0.3110 10.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 1.4910 11.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 0.5480 10.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 0.2140 11.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 2.2630 9.8770 O 0 5 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 25 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 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 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 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 20 21 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 43 -1 M END