CHEMBRIDGE-ZINC04978012 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.1580 1.5110 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 0.0120 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -0.5150 -1.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -1.8590 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -2.6180 -0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -2.3040 -2.4040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8860 -1.9540 -3.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -1.7180 -2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -2.2590 -3.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 -3.7810 -3.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -3.8300 -2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -5.8240 -3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -6.3740 -5.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -7.2210 -5.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -7.7520 -6.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -7.4520 -7.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -6.6150 -7.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -6.0800 -6.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -5.0360 -6.3460 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 -8.6270 -6.4520 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9870 -8.7900 -5.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6570 -9.1440 -7.5370 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8240 1.9770 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 1.7440 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 1.9600 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -0.2060 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -0.4440 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6240 -2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -1.9530 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -1.8890 -4.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -1.8750 -3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -4.1340 -4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -4.1900 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -4.2550 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -4.2420 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -6.1190 -3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -6.2300 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 -7.4660 -4.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 -7.8560 -8.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -6.3820 -8.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -4.3100 -3.6790 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7430 -3.9430 -4.4920 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 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 10 41 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 41 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 38 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 41 1 M END