IFLAB-ZINC04942554 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.4970 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.5200 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.4240 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -0.5780 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -0.9080 -2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -1.0840 -3.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -0.9310 -3.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -0.6050 -2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -1.1540 -5.3200 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -0.4250 -5.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -0.9280 -6.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -2.7530 -5.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -3.3180 -4.4110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4160 -2.7240 -3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -4.7700 -4.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -5.4010 -3.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -4.7840 -4.2420 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 -4.3660 -3.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 -5.7050 -5.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -3.3160 -4.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -0.4400 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -1.0270 -2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -1.3400 -4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.4900 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -3.3160 -6.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -5.3170 -5.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -4.7840 -3.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -6.4900 -3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -5.0490 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -2.4090 -4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -3.3990 -6.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 M END