ASINEX-ZINC04534979 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 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 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0240 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -2.6680 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 -3.5960 -0.5420 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1020 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 -2.5620 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0210 -1.7380 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2690 -2.6220 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3190 -3.3890 1.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7220 -4.1410 1.7580 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.4390 -4.8180 2.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7560 -3.1750 1.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0550 -5.3900 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5550 -6.6670 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8170 -7.6460 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5790 -7.3490 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0790 -6.0730 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8220 -5.0940 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8950 -5.7550 -2.6870 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.1240 -6.6180 -3.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3360 -4.6300 -2.8410 O 0 5 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 -0.3410 -2.6000 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -3.7470 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0340 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 1.1810 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0130 -1.1140 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 -1.1030 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1580 -1.9960 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2330 -3.3080 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5290 -3.4550 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9600 -6.8990 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4260 -8.6440 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7820 -8.1140 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2160 -4.0980 -0.6860 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 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END