IBS-ZINC02071976 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 1.1690 -0.2270 -2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -0.5480 -1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -1.1740 -1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -2.3800 -1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -3.1040 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -4.2580 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -5.0870 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -4.7630 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 -3.6170 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -2.7880 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -5.6120 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5920 -5.3290 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7950 -4.1430 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 -3.2310 1.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0110 -4.1870 1.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7170 -5.2430 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9620 -6.3640 0.1590 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.9660 -5.4930 1.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5620 -4.5660 2.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8490 -3.9720 2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -6.0940 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8380 -6.6210 1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1050 -4.5020 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2280 -5.5330 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4580 -4.8850 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4170 -4.3480 0.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 0.2250 -2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.4100 -3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.3460 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -0.4760 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -1.3890 -3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -4.5090 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 -5.9730 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 -3.3500 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -1.9040 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 -6.5330 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7860 -5.1100 3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8840 -3.7510 3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3580 -3.3470 2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6480 -3.3910 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9620 -5.5700 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8440 -6.9210 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3850 -7.3290 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0590 -7.1880 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8620 -4.0820 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3950 -3.6810 1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9700 -6.3410 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3920 -5.9850 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8250 -5.0940 1.8020 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.0630 -5.5910 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 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 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 49 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 3 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END