CHEMDIV-ZINC03897700 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -2.5580 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -3.9060 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -4.4520 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -5.8190 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -6.6570 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -6.1040 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -4.7360 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -8.1230 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 -8.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -8.9290 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -10.3080 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -10.9210 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -12.2400 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 -12.7680 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -11.4460 -0.0540 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -14.2120 -0.0520 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9530 -15.0380 -0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -14.5750 -0.0650 O 0 5 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 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 -3.8040 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -6.2430 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -6.7480 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -4.3070 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -8.5460 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 -12.8440 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END