IFLAB-ZINC04325748 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0260 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -2.6710 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.5320 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.1060 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 -2.6160 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -3.8300 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 -1.8970 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3210 -2.5420 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4640 -1.9500 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5730 -2.7180 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9250 -2.3140 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9370 -3.2480 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6360 -4.6100 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3180 -5.0220 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2870 -4.0850 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5360 -4.2870 0.0420 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.6280 -5.5430 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9300 -5.0980 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2290 -3.7820 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2320 -2.8250 0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -2.5990 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -3.7500 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.0460 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 1.1850 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -0.9280 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1680 -1.2610 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0850 -6.0760 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6730 -5.8480 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9520 -4.9350 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1980 -3.9430 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2150 -3.4170 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END