ASINEX-ZINC04075991 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -4.7980 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -5.0640 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -5.5150 -0.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -5.6420 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -5.1720 1.4240 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8450 -6.0990 0.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8140 -6.4500 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 -6.3660 -1.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1160 -6.9360 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3460 -7.0340 1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5630 -7.4890 2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5560 -7.8480 1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3360 -7.7540 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1240 -7.2950 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4030 -8.1400 -0.8250 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.4740 -8.5410 -0.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2100 -8.0580 -2.0250 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -4.9220 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -6.1660 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5720 -6.7540 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7420 -7.5650 3.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5080 -8.2040 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9550 -7.2180 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 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 10 35 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END