IFLAB-ZINC04158449 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 -1.6650 0.3880 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 0.4280 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -0.2730 2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -0.2860 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -0.1290 -0.4020 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3400 -0.4800 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -0.9410 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -0.3970 -2.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 1.2830 -0.6150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 1.7690 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 0.9480 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 1.4320 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9380 2.7340 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 3.5540 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 3.0740 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 3.9510 -1.2870 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1440 3.4920 -2.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 5.1320 -0.9980 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2960 3.2590 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0140 2.2540 1.5060 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 3.6530 -0.3000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 4.3570 1.7020 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 0.9600 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 -0.6460 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 0.8190 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 1.4650 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -1.3100 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -0.2440 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 0.2360 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -1.3450 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 0.1520 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 1.8790 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 -0.0690 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 0.7940 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3240 4.5700 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -2.2700 -1.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -2.7480 -2.3670 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 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END