NIH-ZINC06499044 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 1 0 0 0 0 0999 V2000 -3.8840 0.9020 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 0.0350 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 0.3070 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -0.0780 -2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -1.9430 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -3.0890 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -4.3640 0.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -4.9730 1.9960 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2650 -4.9950 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -6.4360 1.6200 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0980 -6.3790 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -5.1090 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -4.8350 -1.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -7.2370 -0.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -6.9750 2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -7.0710 1.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -7.3170 3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -7.2900 4.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -7.7280 5.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -7.9790 5.7490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -8.3050 6.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -7.7440 4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -8.0200 4.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -7.9260 6.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -7.7780 7.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -8.3140 8.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -8.5420 9.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -6.8730 4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -4.1320 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -3.5990 3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -2.8290 4.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -2.5780 3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -3.0980 2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -3.8670 1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -1.8180 4.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -1.6280 3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 1.3470 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 1.7190 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 0.3100 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 0.6080 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -0.7510 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 0.2630 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 1.3230 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -1.0820 -2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 -0.0420 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 0.6230 -3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -1.7670 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -2.1750 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 -2.8820 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -3.2130 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -7.0900 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -8.6990 3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -8.4960 5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 -7.0910 4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -8.8420 10.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -9.3510 9.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -7.6240 9.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -6.0810 3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -6.4730 4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -7.7270 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -3.7850 4.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -2.4300 5.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -2.9330 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -4.2680 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 -2.5850 3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 -1.0560 2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -1.0460 4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 -0.6310 0.1790 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5840 -0.8550 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 2 68 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 3 68 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 68 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 2 0 0 0 0 15 17 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 28 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END