NIH-ZINC04167160 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 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 -1.3600 -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 -2.8030 -3.9380 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -4.7050 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -6.3870 0.5510 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -5.8960 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -4.6030 -0.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -6.7560 -1.6850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -8.0880 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -8.5360 -0.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -9.0210 -2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -10.4670 -1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -11.4000 -2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -11.7680 -2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -12.6230 -3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -13.1130 -4.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -12.7460 -4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -11.8940 -4.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -14.2030 -5.7750 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -14.0890 -7.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -13.9600 -5.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -15.7460 -5.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -16.5170 -5.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -17.8880 -6.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -18.4920 -5.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -17.7640 -4.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -16.3890 -4.2860 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 -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 -3.9830 -4.3560 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -6.3980 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -8.8890 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -8.7980 -2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -10.6000 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -10.6900 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -11.3850 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 -12.9100 -3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -13.1280 -5.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -11.6110 -4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -16.6470 -4.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -15.9900 -6.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -18.5240 -6.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -17.7630 -7.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -18.3110 -4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 -17.6390 -5.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -15.7780 -4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -16.5060 -3.3220 H 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 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 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 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 39 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 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 M END