IFLAB-ZINC04159259 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 0.1230 1.3730 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 0.0090 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -0.6940 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -0.0350 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 1.3340 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 2.0350 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -0.8210 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -2.0290 0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -0.0210 0.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 -0.6800 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 0.3010 -0.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8650 0.8520 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5690 -0.3830 -0.4100 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4610 -1.4400 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4370 -0.1130 0.8270 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4770 0.0740 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 1.2660 1.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2960 2.0430 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4440 1.2820 0.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0630 1.7020 2.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 1.4260 3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7090 1.9770 4.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 2.6100 4.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0990 2.4700 3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1310 2.9680 2.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9710 3.6390 3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8590 3.8540 4.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5610 4.3900 4.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8080 3.3660 5.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7270 3.5740 6.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -1.0750 1.7100 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1800 0.2560 -1.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0790 -0.1140 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 1.9210 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -0.5070 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -1.7580 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 1.8740 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 3.0980 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 -0.9660 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 -1.5690 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 0.8140 3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8670 4.1040 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 38 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 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 31 -1 M END