NIH-ZINC00245589 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.0830 2.3460 -1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 0.7080 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 3.1760 0.7620 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2420 2.7410 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 4.4650 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 4.3630 0.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 3.4520 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 2.5940 -0.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 3.5480 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1990 2.7330 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5120 3.0950 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4990 4.1780 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9130 4.7480 1.1360 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 3.4590 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 4.3950 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 4.5910 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 3.8410 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 2.9300 2.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 2.7640 2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 1.6410 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 2.1690 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 3.3660 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 0.5420 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 0.0330 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 0.5680 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 5.2850 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 4.7920 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 5.0220 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 1.9100 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4190 2.5890 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3460 4.6630 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 4.9820 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 5.3130 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 3.9570 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 2.0220 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 2.1200 -0.3490 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8920 2.1960 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 36 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 36 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 36 1 M END