IFLAB-ZINC02710718 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.0010 1.5320 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 0.0020 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0120 -0.3720 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.5060 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 0.1670 2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -1.6480 1.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -2.5270 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -3.5080 0.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -2.3750 -1.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6690 -2.8490 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.5980 -1.4870 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -3.0280 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -1.9830 2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -2.7850 3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -3.0510 2.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -3.2080 4.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -3.8680 5.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -4.7140 4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -5.3650 5.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -5.1740 7.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -4.3310 7.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -3.6830 6.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 1.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.8960 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 1.8880 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -2.5450 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -2.9150 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -4.0870 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -2.5700 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -1.0660 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -3.0540 4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -4.8640 3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -6.0230 5.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -5.6830 7.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -4.1840 8.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -3.0280 7.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END