IBS-ZINC02198133 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7000 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0790 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0660 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2560 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.9690 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -6.6800 -0.7460 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -6.2630 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -4.9680 1.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -7.2310 2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -8.5680 1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -9.4640 2.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -10.8360 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -11.7480 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -13.1030 3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -13.5520 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -12.6470 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -11.2900 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -15.2820 1.7230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -15.4300 0.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -15.9050 2.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -15.7860 1.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -15.3160 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -15.6460 0.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -15.1010 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -14.2730 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -14.2120 -0.5810 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -6.7640 3.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -6.3930 4.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1620 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6210 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.5980 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1390 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -4.5620 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -8.9200 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -9.1480 3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -11.3980 4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -13.8120 4.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -13.0010 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -10.5840 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -16.4100 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -15.3100 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -13.7310 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 31 32 3 0 0 0 0 M END