IBS-ZINC05163489 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -2.5710 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -2.8400 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -3.2950 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 -3.3310 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -2.8590 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -2.7900 2.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 -3.1520 3.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -3.0810 4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -3.4510 5.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1930 -3.9030 5.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4710 -3.9860 3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 -3.6110 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 -3.6810 1.5460 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -3.7610 -1.8480 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.2750 -3.6350 -1.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 -3.0770 -3.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8600 -5.4780 -2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4830 -6.4190 -1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 -7.7650 -1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 -8.1720 -2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -7.2310 -3.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 -5.8840 -3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0730 -7.6730 -4.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -2.6700 -2.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -2.7330 5.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -3.3940 6.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9450 -4.1920 5.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4370 -4.3380 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0930 -6.1020 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8130 -8.5010 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 -9.2240 -2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 -5.1480 -3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 -7.7550 -5.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 -6.9420 -4.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 -8.6430 -4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -2.3380 -2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -2.8820 -3.1390 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 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 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 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END