ENAMINE-ZINC05748938 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.9100 2.5870 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 0.8610 0.1060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 0.5730 1.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -0.0440 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -0.4250 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -1.1340 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -1.4630 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 -1.0830 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -0.3770 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -1.4340 2.4670 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5070 -0.6010 3.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -2.5570 2.6250 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7500 -2.3670 -0.0520 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 -1.8840 1.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -4.0740 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4130 -4.9860 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5170 -4.5310 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 3.2480 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 2.7550 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 2.7940 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -0.1680 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -1.4320 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -0.0830 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -4.3780 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -4.1370 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 -6.3040 0.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0550 -6.8490 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 12 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 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END