IFLAB-ZINC02458596 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 0 0 0 0 0 0999 V2000 0.0340 1.4110 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 2.0480 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 1.2720 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -0.0880 0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -0.7230 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -0.0350 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -0.7800 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -1.6700 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 -2.2410 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -1.7630 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -0.6320 1.0920 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 -2.1970 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -3.0840 0.2480 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4740 1.8240 0.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 1.9700 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 3.1180 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -1.8010 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -1.9090 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 -2.9680 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 -0.6320 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -1.6700 1.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 14 2 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 M CHG 1 13 -1 M END