NIH-ZINC03007081 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.9640 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.3930 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -1.8070 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -0.8120 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 -0.3790 -2.2520 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 -1.5490 -1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 -2.2410 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 -3.3140 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 -3.0540 1.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 -4.5900 -0.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1290 -1.7710 -1.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6850 -1.0330 -2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0310 -0.1720 -3.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0880 -1.2690 -3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6670 -0.5060 -4.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9770 -0.7320 -4.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7180 -1.7120 -4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1510 -2.4710 -3.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8400 -2.2600 -2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3920 -1.9930 -4.5250 S 0 0 0 0 0 0 0 0 0 0 0 0 -14.0290 -2.5980 -3.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8480 -0.7870 -5.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3750 -3.1320 -5.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4590 -4.5670 -5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5650 -5.1870 -6.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3380 -4.8490 -7.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.3920 -3.4470 -7.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2830 -2.7380 -7.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.1660 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -2.2160 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -2.4820 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -3.4800 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -2.0160 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -4.7970 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 -5.3000 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6500 -2.4570 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0900 0.2600 -4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4260 -0.1420 -5.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7350 -3.2340 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3970 -2.8560 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5070 -5.0480 -5.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6990 -4.6980 -4.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5520 -6.2710 -6.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5330 -4.7980 -5.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2540 -3.2800 -8.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3590 -3.0520 -7.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4060 -1.6590 -7.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3120 -3.0320 -7.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -0.5370 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 0.9160 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.5120 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 58 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 58 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END