CHEMSTAR-ZINC04504212 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.1580 1.5590 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 2.2120 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 1.4970 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 0.1290 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -0.5240 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 0.1910 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -0.6500 0.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6230 -1.7160 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -0.1310 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 -0.2300 0.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 -0.3640 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 -0.4610 -1.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -0.3780 -1.3170 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3000 -1.1750 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 0.9570 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 1.9580 -1.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 1.0380 -2.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 2.2800 -3.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 2.3590 -4.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 3.6140 -4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 3.8430 -5.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 5.2200 -5.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 5.7680 -4.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 4.8000 -4.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 7.2760 -4.9470 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8670 8.0720 -5.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 7.6610 -4.2970 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7640 2.1170 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 3.2810 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.0080 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -1.5930 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -0.3200 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 0.9070 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -0.7520 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 -0.2030 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 0.2380 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 1.4680 -4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 3.1060 -5.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 5.7460 -6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 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 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 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 36 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END