NIH-ZINC04038319 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 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 -2.8010 -3.9620 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 -4.5630 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 -4.0040 -1.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -2.5440 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -1.9650 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7730 -5.0000 -2.1260 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -4.2470 -3.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 -6.2430 -2.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3850 -5.3050 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4330 -4.4670 -1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7010 -4.7000 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9270 -5.7710 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8760 -6.6180 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6020 -6.3820 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1140 -7.7710 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3230 -8.1690 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0990 -9.2630 2.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9360 -10.0600 2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4520 -11.1020 3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0750 -11.3810 3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2290 -10.5960 2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7500 -9.5110 2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1740 -8.6050 1.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 -10.8820 2.7400 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 -3.4300 -2.1110 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -4.2870 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -4.2940 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 -5.6460 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -4.3130 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6030 -2.2940 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6320 -2.1290 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 -0.8760 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 -2.3090 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2600 -3.6270 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5150 -4.0420 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9180 -5.9520 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7840 -7.0380 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2780 -7.7060 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9960 -9.8540 2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1250 -11.7240 4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6890 -12.2160 4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 -11.7530 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4270 -11.0810 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2090 -10.0200 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 11 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 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 52 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END