IBS-ZINC04028969 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 0.4290 0.8940 2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 2.7010 3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 3.8200 2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 3.2700 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 4.0180 2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 3.4970 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 2.2650 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 1.4930 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 2.0280 1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 1.2720 1.3360 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0510 0.2870 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 1.0900 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 2.3720 -0.9950 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0630 2.0790 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 3.2670 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 2.7680 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 3.5480 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9760 4.8470 -1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 5.3730 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 4.5910 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1600 5.4900 -1.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 6.7720 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 3.0570 -0.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.2400 0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 -0.3310 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9540 1.9660 1.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 3.1530 1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 4.1150 2.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 0.1680 2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 1.4380 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 0.4030 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 3.1170 3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 2.0190 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 4.3940 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 4.5050 2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 4.9830 3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 0.4030 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 0.5710 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 1.7570 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7570 3.1330 -2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 6.3840 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 5.0360 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3330 7.1220 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2330 6.7180 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 7.4940 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 3.6850 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -1.3120 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 -0.4940 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 0.2710 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1280 3.6190 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4060 2.8660 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 1.8900 1.8870 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3800 2.5480 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 52 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 52 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END