CHEMBRIDGE-ZINC00471691 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -4.7980 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -5.0620 -1.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -5.5030 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -5.4810 0.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -5.0840 1.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -5.9320 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 -5.9020 -2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 -6.3020 -3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6520 -6.7320 -2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7020 -6.7630 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6070 -6.3700 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9310 -7.2240 -0.7710 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.8970 -7.5750 -1.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9770 -7.2520 0.4460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -5.5660 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -6.2800 -4.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5100 -7.0440 -3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6450 -6.3990 0.3660 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 35 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