IFLAB-ZINC03912494 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -1.9620 -1.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -2.6420 -2.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -4.0330 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -4.6670 -3.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -3.9260 -4.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -2.6100 -4.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -1.9720 -3.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -6.0510 -3.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -4.8180 -1.2350 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4180 -5.1500 -1.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -5.1310 -0.2660 O 0 5 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 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.4570 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 -2.0380 -5.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -6.5850 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -6.4860 -4.2240 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 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 26 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END