IFLAB-ZINC04167113 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 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 -1.2000 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -2.0250 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -2.6710 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.9290 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -0.5340 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1050 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -2.6180 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 -2.0310 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1820 -2.8080 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9410 -4.1230 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -4.3630 0.0180 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.5820 -2.2510 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7390 -1.3010 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1000 -0.7590 1.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4690 0.1060 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6730 0.4380 3.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8410 0.6520 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2260 1.5490 3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5060 2.0560 3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4150 1.6760 2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0360 0.7830 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7560 0.2770 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6760 2.1770 2.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.5590 1.7440 1.2650 C 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 -0.3370 -2.5990 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -3.7500 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 0.0440 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 1.1840 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6880 -4.9030 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7680 -1.7080 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2970 -3.0680 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5530 -1.8440 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0230 -0.4830 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7350 -1.0240 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5200 1.8450 4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8050 2.7500 4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7460 0.4890 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4600 -0.4130 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5320 2.2180 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1450 2.0220 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6740 0.6610 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 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 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END