IBS-ZINC05302971 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.4020 1.2030 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 0.2580 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 0.9730 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -0.3370 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -1.8180 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -2.3480 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -1.4650 0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -0.0880 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 0.4690 0.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8090 0.4550 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 -0.6510 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -1.8110 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 1.8700 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1970 2.4200 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5110 3.7760 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7500 4.5980 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 4.0630 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 2.7080 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -3.7010 -0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -4.7990 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -6.1400 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -8.5360 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -9.6690 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -9.9550 -0.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -8.8220 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -7.6400 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.5800 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 0.6880 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 2.0640 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.5530 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 0.2950 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 1.3400 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 1.8300 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -2.4020 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 -0.6560 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8040 1.8080 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3500 4.1900 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 5.6520 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 4.6990 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 2.3170 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 -3.8870 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -4.6400 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -4.8160 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -6.3920 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -6.0890 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -8.2710 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -8.7950 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -10.5790 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -9.4240 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -9.1150 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -8.5590 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -7.8870 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -6.7610 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -7.2910 -0.6060 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0710 -7.0170 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 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 34 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 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 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 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 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END