IBS-ZINC02393649 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.6980 1.2960 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -0.1880 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -0.8280 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -2.2030 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -2.9420 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -2.3130 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -0.9380 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -4.6810 -0.0530 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -5.0460 -1.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -4.9280 1.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -5.3760 0.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -5.5290 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -4.5470 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -4.6600 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -4.4300 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -5.3900 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 -3.6570 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 -2.5940 -0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2330 -4.0590 1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4880 -3.3110 1.3020 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2230 -2.2880 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3250 -3.2960 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3590 -3.9580 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8560 -5.0290 2.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 1.8110 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 1.5690 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 1.6510 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -0.2560 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -2.6810 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -2.8780 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -0.4520 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -5.3990 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -6.5590 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -3.5250 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -4.7400 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 -5.6710 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -3.3930 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -4.5540 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -6.4150 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -5.1460 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -4.9240 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7770 -2.8420 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6000 -4.3120 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2500 -2.7250 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4230 -3.3530 2.7340 O 0 5 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 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 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 M CHG 1 45 -1 M END