NIH-ZINC04295036 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 68 0 0 1 0 0 0 0 0999 V2000 -0.6650 -1.6260 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -1.0380 0.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6780 0.0410 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -1.7280 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -2.3120 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -1.2400 1.5620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.5800 2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 0.2620 1.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -1.0110 3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -0.8550 4.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 0.5980 4.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 1.4330 5.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 1.3690 4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.0730 4.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 2.2200 6.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 2.1860 6.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 3.1820 6.6190 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8510 2.6080 6.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 4.3660 5.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 5.6110 6.3210 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 4.9590 8.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 3.7130 7.9600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 3.0290 9.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 1.9750 9.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 3.6750 10.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 3.1410 11.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 3.0680 11.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 4.1590 12.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 1.7860 11.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -2.4520 3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -2.7420 2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -4.0370 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -5.0720 3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -4.8110 4.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -3.5160 4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -2.7080 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -1.4530 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -1.1810 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -1.9390 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -1.4600 4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -1.2130 5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 1.0050 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 0.6470 5.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 1.8640 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 1.9330 4.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.4660 4.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.0530 3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 4.7920 5.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 4.1330 4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 5.6650 8.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 4.7700 8.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 4.0230 11.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 2.8230 12.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 2.3080 11.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 4.2670 12.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 3.8660 13.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 5.1530 12.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 1.0030 11.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 1.4580 12.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 1.8390 11.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -1.9570 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -4.2350 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -6.0810 3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -5.6180 4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -3.3720 4.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -1.6170 -0.9550 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 66 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 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 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 M CHG 1 66 -1 M END