D04JGA Wcorina 11010620293D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 50 53 0 1 0 999 V2000 0.0781 2.6046 -0.0736 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3444 1.1712 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5341 2.6672 -0.2237 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 3.4424 1.1353 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0857 2.7032 2.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6436 1.4779 2.4866 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 0.6858 1.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 1.1238 -1.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7949 0.4843 -2.5775 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -2.5494 -2.8638 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3144 1.4310 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 1.4597 -2.4415 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1785 3.9060 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3983 0.3358 -0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8385 -1.8630 -1.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 0.3950 -3.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5709 0.9992 -3.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0553 -0.6465 1.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7821 -0.9978 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 3.9696 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4329 5.0759 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 3.6087 1.1323 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4548 6.3595 -0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1097 -1.4848 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 6.2989 -0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2003 5.1953 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 7.8985 -0.4441 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5856 2.4073 2.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2224 3.5653 3.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3964 2.9995 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1392 4.4177 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 1.5541 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7505 0.6102 0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 1.9380 -2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1432 0.7157 -1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9435 -0.0809 -4.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 1.0992 -4.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3092 -1.0228 2.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1483 3.0613 -0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 5.0291 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1013 4.1312 1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4058 -2.5159 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4931 7.2090 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 5.2453 -0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1265 3.3201 2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9218 2.0393 3.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 1.6516 1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2929 3.7657 3.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0854 3.0370 4.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 4.5075 3.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 30 1 0 0 0 0 2 7 2 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 18 1 0 0 0 0 8 11 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 16 1 0 0 0 0 10 15 3 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 17 1 0 0 0 0 12 34 1 0 0 0 0 13 20 1 0 0 0 0 13 21 2 0 0 0 0 14 19 2 0 0 0 0 14 35 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 24 2 0 0 0 0 18 38 1 0 0 0 0 19 24 1 0 0 0 0 20 26 2 0 0 0 0 20 39 1 0 0 0 0 21 25 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 23 26 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$