IFLAB-ZINC00131521 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.9690 1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -2.6540 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -4.0640 2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -4.8240 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -6.1790 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -6.8150 2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -6.1030 3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -4.7090 3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -3.9620 4.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -2.6590 4.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -2.0120 3.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -7.3180 -0.5010 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.0630 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -0.2350 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -2.4520 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -4.3410 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -7.8900 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -6.6100 4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -2.0880 5.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -0.2240 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 15 2 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 24 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 17 28 1 0 0 0 0 M END