IBS-ZINC05180081 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.7900 0.3700 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -0.6450 -0.6160 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0500 -1.5190 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -0.0080 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -1.0090 1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -1.4220 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -2.0260 0.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -1.0680 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 -2.5290 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 -3.8900 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -4.3500 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 -3.4790 -0.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 -2.1910 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 -1.7180 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 -1.3160 -0.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4060 -1.8190 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 -0.6730 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6930 0.0250 -1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5890 1.0760 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1760 1.4300 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8660 0.7320 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9740 -0.3230 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -5.6970 -0.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -4.8260 -0.2120 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3980 -5.3630 0.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -5.0590 -1.2490 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8270 0.6730 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -0.0830 -2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 1.2440 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 0.2560 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 0.8890 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -1.8900 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -0.5460 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -2.1460 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -0.5430 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -0.1920 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -1.5360 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -0.3700 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4550 -2.2930 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 -2.5490 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2350 -0.2510 -2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8310 1.6220 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8750 2.2520 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3240 1.0080 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7350 -0.8710 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -6.3260 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 -6.0100 -0.8060 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 8 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END