SIAL-ZINC04523361 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.2900 1.5660 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 0.0480 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -0.4750 1.0160 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5110 -1.2930 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -1.0960 1.9750 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.7760 2.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6290 0.1470 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -0.7420 0.2290 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -2.0960 2.8240 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0640 -1.9570 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.0850 2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -2.7520 3.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -3.2380 2.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -4.4620 2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 -4.6700 3.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -5.5780 1.6780 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9360 -5.8870 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 -5.1320 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -5.1140 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -4.6830 -1.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 -4.2640 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -4.2790 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 -4.7120 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 0.5970 1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 1.2190 2.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -0.4220 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 2.1010 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 1.8570 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 1.9380 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -3.1070 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -5.4270 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 -4.6750 -2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5120 -3.9290 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0890 -3.9570 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 -4.7270 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 0.0000 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -1.5140 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -0.1090 -2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -6.7350 2.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -6.9120 3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -7.5620 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 0.7530 0.8930 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 42 -1 M END