IBS-ZINC04981689 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.3610 2.2080 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 2.8940 4.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 4.4360 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 4.5660 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 6.0320 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 6.1570 -0.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 6.3990 -0.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6840 5.5860 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 6.4520 -2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 6.2480 -2.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 6.0740 -1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 5.8820 -2.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 6.2210 -4.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 6.6590 -2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 6.8110 -4.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8850 6.7130 -2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8080 7.7510 -2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9380 7.7980 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1630 6.8210 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2520 5.7860 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1170 5.7250 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4790 4.8300 0.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6740 4.9530 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 7.7100 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 7.7850 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9050 8.9870 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 10.1150 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 10.0410 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 8.8340 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 11.1420 -0.0930 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 1.1610 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 2.5280 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 2.3270 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 3.2840 4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 1.8420 4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 3.4560 4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 4.7860 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 5.0390 3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 3.9640 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 4.2170 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 6.6350 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 6.3820 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 6.9510 -4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6360 8.5150 -2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6500 8.6000 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0500 6.8640 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4100 4.9180 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7330 4.1280 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6600 5.8980 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5400 4.9250 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 6.9040 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 9.0450 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 11.0540 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 8.7740 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 3.0290 2.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 55 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 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 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 54 1 0 0 0 0 M END