IBS-ZINC06658602 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.2070 0.2920 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -0.9650 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -1.1560 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -0.0910 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 1.1690 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 1.3580 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0720 -0.3170 -0.5160 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1610 -1.3520 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 0.6280 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 1.6420 -1.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 -0.1010 0.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 -1.0160 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 -2.1380 1.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5900 -0.4930 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 -1.6390 3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 -1.1270 4.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6780 -0.1080 5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 1.0450 4.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9930 0.5430 3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7670 0.3930 6.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2290 1.1670 7.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6790 0.5250 8.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6020 -0.6930 8.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1640 1.4030 9.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 0.8980 10.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 1.7830 11.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 3.1570 11.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8130 3.6440 10.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 2.7650 9.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 3.2940 7.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3120 2.5260 7.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 0.4390 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -1.7990 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -2.1440 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 2.0100 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 2.3390 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 0.8020 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3610 -0.0080 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 -2.2140 3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7210 -2.3390 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6940 -1.9790 4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1160 -0.6720 3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8960 -0.6170 5.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5170 1.7290 5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 1.6290 3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 1.3990 2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 0.1040 3.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2970 -0.4680 6.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5120 1.0000 5.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -0.1750 10.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 1.4020 12.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8440 3.8510 12.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9050 4.7180 9.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 0.2690 -2.8060 O 0 5 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 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 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 54 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 M CHG 1 54 -1 M END