IFLAB-ZINC04078850 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 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 0.0230 -0.7590 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.4560 0.6740 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0070 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7100 -1.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.8960 -2.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -2.4370 -3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -1.2390 -3.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -3.3790 -4.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -2.9200 -5.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -3.8680 -6.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -3.3950 -8.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -4.2890 -9.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -5.6510 -8.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -6.1260 -7.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -5.2450 -6.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -6.6040 -10.0640 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0280 -6.1890 -11.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -7.8030 -9.8510 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0300 -0.2650 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 0.9330 2.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -1.2240 3.6320 C 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 0.0340 -3.8510 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -4.4430 -4.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -1.8570 -5.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -2.3330 -8.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -3.9260 -10.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -7.1910 -7.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -5.6170 -5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -1.4410 3.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -0.7740 4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -2.1480 3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END