ASINEX-ZINC04954580 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 2.5540 0.3680 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -0.8260 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -1.0290 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -0.2710 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -0.5620 3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -1.6230 3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -2.3930 2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -2.0990 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.8980 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -4.2470 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -4.5250 -1.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -5.4290 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -3.3790 -1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -2.3820 -0.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -3.2940 -2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -2.1100 -3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 -1.9840 -4.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -3.0390 -5.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 -4.2220 -5.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -4.3500 -3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 -2.9120 -6.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -1.8180 -6.8280 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9630 -5.2480 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -6.5010 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -7.4590 1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -7.1740 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 -5.9320 1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -4.9740 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -1.9300 4.9890 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1030 -1.1800 5.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -2.9200 5.0790 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5010 0.3470 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 0.4230 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 1.2560 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 0.5530 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 0.0470 4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -3.2150 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -1.2700 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -1.0540 -4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -5.0550 -5.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -5.2870 -3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -6.7410 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -8.4250 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -7.9200 2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -5.7100 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -4.0150 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -3.9130 -7.4130 O 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 8 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 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 47 2 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 22 -1 M CHG 1 29 1 M CHG 1 31 -1 M END