IFLAB-ZINC04497565 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.0340 1.5920 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 0.0900 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.6080 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -1.9990 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -2.6760 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -1.9780 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.5990 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 0.1390 -2.4340 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2790 -0.4720 -3.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 1.3570 -2.4390 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2810 0.1230 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 1.3290 2.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -0.5480 3.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 0.1770 4.9400 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1630 1.0210 4.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 0.6410 5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -0.4700 6.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -0.6370 6.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -1.2460 6.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -0.7680 6.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -2.3680 7.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -3.0270 7.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -4.1320 8.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -4.5860 9.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -3.9300 8.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0010 -2.8240 7.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -4.3640 8.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6130 -5.2450 9.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -6.3220 9.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -5.6720 9.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 2.0380 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 1.9140 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 1.9100 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -2.5450 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -3.7520 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -2.5120 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -1.5100 3.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 0.7480 4.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 1.5790 5.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -0.2230 6.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -1.6060 5.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -2.6760 7.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -4.6440 9.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 -2.3140 7.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 -5.7140 9.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -4.6840 10.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -6.8790 8.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -7.0010 10.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END