NIH-ZINC01078538 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 0.9160 1.7970 -1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 0.3110 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.5100 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 0.0050 -3.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -1.9910 -2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -2.7470 -3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -4.1390 -3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -4.7950 -2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -4.0440 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -2.6470 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -6.1560 -2.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -6.8720 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -8.3430 -1.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0850 -8.4410 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -9.2290 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -11.0330 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -11.6770 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -13.0010 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -14.0650 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -13.5700 -1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -12.2750 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -11.2000 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -8.8590 -2.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -8.1940 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 1.9970 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 2.1800 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 2.3580 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -0.0270 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 0.1560 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -2.2630 -4.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -4.7120 -3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -4.5080 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -2.1030 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -6.7560 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -6.5080 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -8.8330 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -9.3260 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -11.3290 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -10.1910 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -11.8530 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -11.8140 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -12.8280 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -13.4110 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -14.9650 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -14.3560 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -13.4060 -2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -14.3350 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -11.9100 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -12.4690 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -10.3220 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -10.9070 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -10.6100 -0.4730 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8260 -10.3930 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 52 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 41 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END