CHEMDIV-ZINC04936453 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.3560 0.3530 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -0.4470 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -0.6890 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -1.4720 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -2.0230 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -1.7850 -2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -1.0160 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -2.3940 -3.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -2.3740 -4.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -3.8010 -2.6250 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -4.2450 -3.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -3.5830 -1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -5.0150 -2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -5.8450 -3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -6.8180 -3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -6.9490 -1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -6.1330 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -5.1660 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -6.4550 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -7.5860 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 -7.8410 -1.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -8.7990 -2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -8.9930 -3.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 -9.6240 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 -10.6610 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8770 -11.4920 -1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0550 -11.2200 -0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.3080 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 0.8890 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 1.1030 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -0.2700 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 -1.6590 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -2.6470 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.8590 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -1.3880 -4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -2.5460 -5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -3.1270 -4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -5.7430 -4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -7.4510 -4.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -4.5430 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -6.7960 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -5.5930 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -8.5030 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -7.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 -10.1290 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 -8.9370 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3110 -10.1650 -3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -11.3490 -2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4490 -12.3620 -2.4680 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 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 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 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 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 M CHG 1 49 -1 M END