PUBCHEM-ZINC03020553 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -4.2450 0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 -4.7530 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -3.7980 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7930 -4.1870 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 -5.5460 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 -6.5070 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7870 -6.1100 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -7.1230 -0.0130 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9860 -8.3080 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -6.7700 -0.0220 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.5340 -5.9660 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8180 -7.1480 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5120 -5.0380 0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9170 -5.4550 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7940 -4.3370 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0910 -4.8260 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9270 -5.4070 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4440 -6.8030 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3870 -6.8450 1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3590 -5.7020 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -2.1110 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -2.1010 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 -2.7480 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5760 -3.4430 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 -7.5580 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2860 -4.0950 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0330 -6.3660 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9460 -3.5650 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2740 -3.8980 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6430 -4.0040 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9390 -5.6040 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8000 -4.7880 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9790 -5.4340 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2950 -7.4170 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0100 -7.2190 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8920 -6.7750 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8600 -7.7980 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4870 -5.9550 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8050 -4.7890 1.8900 H 0 0 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END