IFLAB-ZINC04317466 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3850 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 1.1960 -0.6910 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0200 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.4340 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 2.1030 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 2.1540 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 1.4950 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 0.1010 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 -0.3380 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.6530 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -1.8690 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 3.6610 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 4.1380 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 5.4610 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 6.2590 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 5.9410 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7540 5.0280 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0550 5.4830 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3180 6.8420 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2790 7.7540 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9680 7.3130 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 8.2040 -0.0220 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -1.7710 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 3.1830 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 4.0340 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 4.0250 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 3.5010 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5510 3.9670 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8720 4.7760 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3400 7.1920 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4920 8.8130 -0.0310 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 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 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 M END