IBS-ZINC02153131 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 1 0 0 0 0 0999 V2000 -0.5460 3.3820 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 2.1080 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 2.1630 1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 1.0300 2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -0.1750 1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -0.2440 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 0.8810 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 0.7410 -1.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 0.2700 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 1.0800 -3.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 1.7260 -3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 0.9280 -2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 1.7760 -5.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 1.2960 -6.7990 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3160 1.5180 -6.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 1.7530 -8.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3540 1.6360 -8.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 0.6870 -8.9080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5970 0.8030 -8.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 0.7520 -10.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 2.1300 -10.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 2.2230 -11.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 3.4980 -11.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 4.5660 -10.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 4.7050 -10.7040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5910 4.9040 -11.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 3.3630 -10.1970 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8430 3.1640 -8.6250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1750 3.3300 -8.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 4.0230 -7.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 4.9160 -7.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 3.4130 -10.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 5.9700 -9.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -0.5130 -8.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.1970 -6.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -0.9900 -6.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 3.4560 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 3.4340 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 4.2600 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 3.1010 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 1.0900 3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -1.0630 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -1.2020 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 0.3550 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -0.7910 -2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 2.1210 -3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 0.6180 -4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 1.7090 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 2.7630 -3.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -0.0610 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 1.4280 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 1.4990 -6.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 2.8590 -5.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -0.0560 -10.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 0.5850 -10.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 1.3250 -12.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 3.3110 -11.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 3.8440 -12.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 4.3140 -9.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 5.5170 -11.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 2.5190 -10.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 4.2700 -10.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 3.4990 -11.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 6.8560 -10.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 6.0990 -9.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 5.9740 -8.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 1.1090 -4.5280 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5750 0.1140 -4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 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 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 5 6 2 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 10 67 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 11 67 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 13 67 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END