IFLAB-ZINC04167130 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 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 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 0.1410 2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4780 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -1.8710 3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -2.6360 2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -2.0090 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -2.7510 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -4.1720 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -2.5360 4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -1.9290 5.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -2.6860 6.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -4.0040 6.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -4.2770 4.5170 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 -2.1030 7.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 -1.1260 6.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 -0.5600 8.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1740 0.3310 7.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 0.6640 6.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 0.9140 9.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9560 1.8900 8.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6560 2.4730 9.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3240 2.1410 10.9940 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 1.1620 1.2190 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1150 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -3.7140 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -4.6420 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -4.4700 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -4.4880 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 -4.7710 6.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -1.5750 8.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -2.9050 7.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 -1.6540 6.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 -0.3240 6.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 -0.8260 9.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 1.4420 9.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3330 0.1120 9.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6790 1.3620 8.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4970 2.6930 8.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6490 3.3610 9.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0680 3.7070 10.5130 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 11 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 44 45 1 0 0 0 0 M END