IBS-ZINC02138486 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 1.3960 -0.1540 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.1930 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -1.2260 -2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -0.4970 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -0.3980 -1.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1970 -0.9890 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -1.0010 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1820 -0.1290 0.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 0.9990 -1.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 1.4410 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 1.6280 -2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 1.0630 -3.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 3.1300 -2.8040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6620 3.6370 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 3.6280 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 5.1170 -2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4510 5.7130 -1.3880 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 7.4390 -1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 3.4430 -4.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 4.2670 -4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 4.8470 -3.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 4.4690 -6.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 5.2290 -6.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 5.4040 -8.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 4.8260 -8.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 4.0690 -8.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 3.8920 -6.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 3.1360 -6.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 2.7190 -6.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 2.8890 -5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3830 2.2070 -4.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 0.0890 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 0.6090 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -1.1190 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 0.7980 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -2.2370 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -1.2230 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -1.0110 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -1.5020 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 0.1940 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 3.0360 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 3.4760 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 5.7020 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 5.2930 -3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2650 7.9740 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 7.9210 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6030 7.4970 -3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 5.6830 -6.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 5.9920 -8.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 4.9630 -10.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 3.6240 -9.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 -2.2610 -0.3010 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 52 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 M CHG 1 52 -1 M END