CHEMBRIDGE-ZINC04981104 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.5750 1.0230 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -0.4230 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -1.2620 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -0.9140 0.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1170 -2.0080 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -0.6450 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -1.2790 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -1.0520 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -0.6200 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -0.3340 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 -1.3860 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7540 -0.9130 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5820 0.0750 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5420 1.4200 -0.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2130 1.9630 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3970 0.9820 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6970 2.1590 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8460 3.0280 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0120 3.7800 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0650 3.6720 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9560 2.8200 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7820 2.0750 -1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2870 4.4540 -0.1230 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.3400 5.2030 0.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1980 4.3220 -0.9530 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6430 1.2640 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 1.2610 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 1.6850 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -2.3090 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -0.9250 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 0.4360 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -1.0400 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 -0.8760 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -2.3600 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -0.4660 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -0.7570 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 0.7530 1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6390 -2.3620 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9130 -1.4500 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2030 -1.0680 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6650 -1.8730 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1880 0.1190 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6020 -0.3230 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6900 2.1370 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2480 2.9330 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 1.3440 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8470 0.8390 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0590 3.1160 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0730 4.4310 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7590 2.7230 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7160 1.4440 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3410 -0.3880 -0.4220 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9060 -0.2640 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 52 1 M END