PUBCHEM-ZINC05138480 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 1 0 0 0 0 0999 V2000 -0.3870 1.6350 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 0.1310 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -0.3890 -1.1670 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6660 0.0380 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -1.9370 -1.1710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4390 -2.2930 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -2.3910 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -2.9110 1.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -2.1450 0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8110 -2.4600 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -2.0300 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 -1.5040 -0.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -2.6540 -1.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -3.0710 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.7960 -2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -2.3360 -3.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 -3.6050 -1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -3.5280 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -4.3030 -2.7870 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2090 -4.0400 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 -4.1340 -3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3160 -5.3090 -4.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 0.2690 -2.8800 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 1.9320 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 2.2080 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 1.9180 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -0.3640 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -0.1270 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -1.7200 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -1.9480 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -3.5410 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -4.6420 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -3.2280 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -2.4740 -3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -3.8910 -4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -0.6430 -3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 -2.2520 1.9140 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.2570 -2.9840 -4.1940 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5070 -5.7910 -2.7360 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5890 -6.2170 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 -6.0850 -3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3280 -6.1250 -3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 23 36 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 M CHG 1 37 -1 M CHG 1 38 -1 M CHG 1 39 1 M END