NIH-ZINC04079219 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -3.8960 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 -4.6460 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -4.1100 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -6.1490 0.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2820 -6.4830 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -6.6040 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -8.0960 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 -8.9440 -1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -10.3130 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -10.8330 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -9.9840 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -8.6160 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 -6.7280 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 -8.1380 0.8330 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8480 -8.4130 0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 -9.0460 0.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -7.8110 2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 -7.3790 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -7.1220 4.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -7.2980 5.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 -7.7320 4.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -7.9920 3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 -7.9230 5.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -6.8810 6.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 -6.8440 7.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -6.6360 8.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 -7.0400 6.5920 N 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 -3.4310 -2.1110 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -2.1010 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -4.3250 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -6.3490 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -6.1040 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 -8.5380 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 -10.9760 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -11.9020 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -10.3900 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -7.9520 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 -6.2840 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2350 -7.2420 2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8800 -6.7840 5.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -8.3340 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -8.9220 5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -7.8060 4.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -7.1400 6.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -5.9000 5.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 -7.0010 7.1960 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 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 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 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 57 1 0 0 0 0 M END