IBS-ZINC04691090 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0580 1.4660 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0010 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -0.7100 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -0.6920 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.1040 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -2.1990 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -2.8310 -0.0310 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -4.5640 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -5.0960 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -6.4420 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -7.2550 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -8.6220 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -9.2300 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -8.4520 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -7.0630 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -5.8120 -0.0200 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -10.6280 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -11.2310 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -10.5640 1.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -12.7350 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -13.1580 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -14.6620 1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -15.3170 2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -16.6960 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -17.4210 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 -16.7660 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -15.3860 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 1.8470 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 1.8210 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 1.8200 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -0.8860 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -1.6640 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -0.1080 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -2.5530 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -2.5540 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -6.7970 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -9.2310 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -8.9220 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -11.1610 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -13.1540 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -13.1020 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 -12.7400 2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -12.7920 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 -14.7510 3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -17.2080 3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -18.4990 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 -17.3320 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 -14.8740 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 6 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 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 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 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M END