IFLAB-ZINC04032879 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 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 -2.3750 0.1120 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -0.5060 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -1.9050 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -2.5980 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -3.9550 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -4.6710 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -5.8900 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -4.0440 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -4.5680 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -2.6670 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -2.0200 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 -4.6990 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6590 -5.0520 -1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9330 -5.7750 -1.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4800 -6.1890 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9160 -5.9620 -3.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7640 -6.9190 -2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3320 -7.3480 -3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5290 -8.0280 -3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1760 -8.2880 -2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6100 -7.8590 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4100 -7.1840 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4650 -9.0200 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1140 -9.2810 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3140 -9.9630 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8720 -10.3880 -2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2320 -10.1320 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0360 -9.4450 -3.7230 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 -2.3230 1.1910 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 0.0810 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8730 -2.0410 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -2.5940 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 -5.6140 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0360 -4.0710 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7650 -4.1370 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8880 -5.6790 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 -5.9560 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8310 -7.1470 -4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9680 -8.3600 -4.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1120 -8.0600 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9700 -6.8570 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6780 -8.9510 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8170 -10.1660 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8110 -10.9210 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6730 -10.4660 -4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5400 -9.2410 -4.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 14 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 13 2 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 15 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 13 1 0 0 0 0 13 14 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 M END