IBS-ZINC02277371 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -0.6480 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.7150 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -2.1160 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -2.8240 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -4.1170 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -4.6250 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 -3.7170 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -2.1090 0.0360 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 -6.0820 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1760 -6.5280 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 -7.9220 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 -8.2680 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 -7.0330 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -6.6180 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -1.7280 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -0.0960 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -0.2410 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -2.5890 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 -3.9370 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 -9.3530 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2770 -7.8630 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 -7.8530 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 -8.3600 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -8.9420 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 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 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 28 29 1 0 0 0 0 M END