CHEMBRIDGE-ZINC00461693 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 0.1040 1.9030 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 0.4100 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -0.3490 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -0.6590 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -1.3550 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -1.7440 3.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -1.4380 3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.7330 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -0.4150 2.7410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 0.7510 3.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 1.5030 3.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 1.1190 3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 2.3090 4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 2.6120 4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 1.7620 3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 0.5460 3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 0.2260 2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -0.9890 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -1.8580 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 -1.5320 1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3790 -0.3620 2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8240 -0.0510 2.5750 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.6270 -0.9390 2.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2110 1.0920 2.4110 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2160 -1.2850 2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -2.3220 1.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 2.2560 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 2.4520 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 2.0650 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 0.0560 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 0.2480 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -0.3570 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 -1.5960 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -2.2880 4.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -1.7420 4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 3.0010 4.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 3.5430 4.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8580 2.0250 3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 -2.7910 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 -2.2200 1.5360 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 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END