PUBCHEM-ZINC06031761 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 1 0 0 0 0 0999 V2000 -2.7490 0.0370 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -1.1560 -1.0920 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4250 -2.0750 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -1.2740 0.0160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6790 -2.3530 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -0.4640 1.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0580 -1.1190 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -0.4540 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -0.1350 0.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -0.8050 -0.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -0.8520 -2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -1.0860 -2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -1.2970 -3.9100 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -1.7590 -4.9050 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3130 -0.9010 -4.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -1.9180 -6.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -2.3620 -6.5560 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8690 -1.4820 -6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -3.1010 -4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -3.3260 -7.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -3.7060 -7.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -4.5900 -9.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -3.5960 -10.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -2.7050 -9.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -4.6750 -11.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -0.5180 -2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -1.4980 -3.5230 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6690 0.9060 1.6660 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7070 0.8140 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 1.4700 2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 1.8290 0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 2.0150 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 0.9860 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -0.0180 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 0.0620 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -2.6830 -6.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -0.9840 -6.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -3.2590 -3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -3.9680 -4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -4.2480 -7.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 -2.7940 -7.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -4.2380 -6.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -4.7610 -9.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -5.5540 -8.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -4.5490 -10.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -3.0850 -11.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -2.5190 -9.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -1.7290 -9.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -5.6420 -11.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 -4.8030 -11.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 -4.0920 -12.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 2.4500 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 0.8030 3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 1.6210 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -3.0150 -5.2210 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0860 -3.8780 -5.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -2.3160 -4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 -3.9000 -10.2690 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3470 -3.0010 -10.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 0.7010 -2.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 55 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 58 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 60 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 55 1 M CHG 1 58 1 M END