NIH-ZINC04039051 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 1 0 0 0 0 0999 V2000 -0.0680 1.5390 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 0.0720 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -0.7180 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -2.0140 0.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -3.2300 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -4.3700 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -4.3080 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -3.1390 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -1.9280 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -0.6900 -1.2710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.4400 2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 0.0720 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 0.4310 4.5550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3160 1.2120 4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 1.0480 4.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 1.0390 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 1.4440 3.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 0.3900 2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 0.1510 1.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 1.6260 6.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 0.6800 6.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 0.5200 8.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 1.3220 9.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 1.9170 10.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 2.8280 9.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 2.1090 8.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -0.7440 5.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -0.6780 6.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -1.7630 7.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -2.8860 7.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -2.9880 6.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -1.9250 5.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -0.7500 2.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 2.0440 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 1.8340 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 1.8910 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -3.2140 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -5.3360 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -5.2380 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -3.0900 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 2.5530 5.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 1.8940 6.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -0.0560 7.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 0.1450 6.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 0.1140 7.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 -0.2840 8.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4150 0.6590 9.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2030 2.1040 8.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 3.2610 10.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 3.6460 9.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 1.3190 9.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 2.8190 8.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 0.2130 6.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -1.7340 8.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -3.7600 7.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -2.0620 4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -0.5840 3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 1.4360 7.7170 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1400 2.1660 7.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END