NIH-ZINC01051306 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -1.4920 0.0850 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -0.0310 0.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -0.2330 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 0.0560 2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -0.1270 3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -0.6070 4.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -0.9020 3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -0.7170 2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 0.0560 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -0.1300 -0.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 0.4670 -2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -0.4520 -3.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -0.0710 -4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 1.2260 -4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 2.1470 -3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 1.7750 -2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 1.6820 -6.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 0.9870 -7.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -0.1780 -7.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 1.8460 -8.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2870 2.6550 -8.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 1.0150 -9.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 0.1100 -10.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 0.2500 -9.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 1.3610 -8.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 2.4590 -8.5630 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9300 3.0250 -9.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 3.4930 -7.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 3.7370 -6.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 1.1030 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -0.1300 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -0.6460 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 0.4600 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 0.1130 4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -0.7500 5.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -1.2840 4.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -0.9960 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -1.4610 -2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -0.8070 -5.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 3.1620 -3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 2.4990 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 2.6820 -6.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 1.6900 -10.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 0.4150 -9.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -0.6990 -10.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 -0.4530 -9.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 1.7910 -8.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 0.9360 -7.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 3.9770 -7.5920 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 9 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 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 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 M CHG 1 49 -1 M END