CHEMBRIDGE-ZINC00456850 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.5520 2.0530 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 0.6490 -1.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -0.1630 -2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 0.2840 -3.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -1.6330 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -2.3250 -2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -3.8120 -2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -4.3810 -2.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -3.7370 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -2.2500 -1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -5.4740 -3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -5.9350 -4.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -6.1110 -3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -6.2580 -1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -6.8530 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 -7.3060 -2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -7.1640 -3.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -6.5640 -4.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 -7.6510 -5.0860 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5060 -8.1760 -4.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -7.5270 -6.2140 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4570 2.4640 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 2.1530 -2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 2.5950 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -1.7620 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -2.2180 -3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -1.8690 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -4.3290 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -3.9250 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -4.2030 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -3.8430 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -1.7410 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -2.1440 -2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 -5.9060 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8200 -6.9670 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 -7.7720 -2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -6.4490 -5.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END