NIH-ZINC02765053 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.2050 1.3770 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -0.1050 0.0080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7690 -0.6360 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -0.3460 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 0.1260 2.5450 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0520 1.2190 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -0.4840 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -0.6870 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 -0.6350 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 0.0600 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7390 -0.3540 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 -1.1840 1.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 0.3070 -0.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9250 0.1700 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7310 -0.6850 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1070 -0.7640 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6910 0.0100 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8920 0.8620 -2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5180 0.9450 -1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6020 1.8230 -3.4000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -0.2280 3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 1.7500 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 1.5170 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 2.0050 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -1.4220 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 0.1500 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -1.5760 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -0.0610 3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -0.4200 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -1.7790 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -0.3950 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -1.7240 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 1.1490 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -0.2100 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 0.9640 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3240 -1.3070 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7210 -1.4330 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7610 -0.0570 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9200 1.6190 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 0.2280 3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 0.1370 4.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -1.3120 3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -0.1510 1.1750 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0510 0.8750 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 43 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 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 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END