IBS-ZINC05452382 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -2.2410 3.6380 2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 4.4330 1.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 3.7700 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 2.3880 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 1.7080 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 2.4260 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 3.8070 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7080 4.4830 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 5.8410 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 6.4510 -0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 4.5070 -1.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2220 3.7490 -2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8560 0.2330 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -0.4130 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 -0.3980 0.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2970 0.3660 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0960 -0.0290 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2810 -1.5470 1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 -2.2340 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 -1.8620 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1000 -1.9390 2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4070 -2.2800 2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8170 -2.5720 3.8390 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.7060 -2.8510 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7470 -2.4000 4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7250 -2.0210 3.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1900 -2.3000 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3900 -1.5150 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 4.2900 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 3.0410 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 2.9780 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 1.8360 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2880 1.9020 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 6.1550 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 7.5350 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 6.1270 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9010 3.1530 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7980 4.4280 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6230 3.0900 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0750 1.4330 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8770 0.1370 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5560 0.2860 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0720 0.4560 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3830 -1.9060 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0540 -3.3140 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5910 -2.2670 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -2.2670 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7390 -2.5520 5.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3250 -3.3290 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1620 -1.8300 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8290 -1.6760 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4200 -0.4520 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9950 -1.9760 0.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5150 -1.6660 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 53 54 1 0 0 0 0 M END