IBS-ZINC02261717 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 0 0 0 0 0 0999 V2000 0.3170 1.8990 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 0.3960 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -0.2200 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -1.6000 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -2.3630 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -1.7470 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -0.3680 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -4.1210 -0.4280 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -4.5820 -1.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -4.4290 0.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -4.6120 -0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 -4.5600 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -5.6530 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -5.6060 -3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -4.4560 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 -3.3580 -2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -3.4180 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -4.4000 -4.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -5.5460 -5.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 -5.5000 -6.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 -4.4480 -7.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -6.6220 -7.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 -6.6010 -8.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6620 -7.9930 -9.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7560 -8.3240 -8.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -6.7740 -4.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -7.7670 -5.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -7.5700 -6.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -9.1230 -4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 2.2900 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 2.1930 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 2.3020 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 0.3760 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -2.0810 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -2.3430 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 0.1130 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -6.5400 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -6.4550 -4.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -2.4680 -3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -2.5730 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 -3.4450 -5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 -7.4440 -6.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9560 -5.8820 -8.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -6.3120 -9.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9990 -8.0000 -10.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 -8.7260 -8.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1400 -9.1950 -8.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -6.9110 -3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -9.1090 -3.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -9.8730 -5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -9.3670 -4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 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 26 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END