D0OC6H Wcorina 11010620303D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 46 47 0 0 0 999 V2000 0.5589 1.2499 0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9579 -0.7534 1.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4811 -0.2169 0.5460 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6920 -11.8092 -1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 -12.5569 -1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4314 -12.0229 -0.7755 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4673 -10.7913 -0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 -10.0436 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7255 -10.5738 -0.9612 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -8.7430 0.0827 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7787 -7.9850 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8555 -6.7628 0.4634 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9564 -5.9371 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2142 -6.4923 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3003 -5.6746 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1346 -4.3034 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8827 -3.7437 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7907 -4.5559 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 -8.4037 -0.7717 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 -13.8972 -1.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4498 -14.9604 -2.2348 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5593 -4.0063 0.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4645 -2.5835 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0135 -2.1533 0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -0.6299 0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3162 -0.7319 -0.5392 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.8744 -6.3709 -0.4645 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 1.5564 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2051 1.6480 -0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0633 1.6336 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3358 -0.3696 2.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9002 -1.8417 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9916 -0.4469 1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5718 -12.2392 -1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4131 -10.3586 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9134 -8.3809 0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1488 -6.4547 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3457 -7.5626 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9850 -3.6684 -0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7565 -2.6728 -0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7899 -2.2614 -0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1005 -2.1268 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6881 -2.4754 1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3775 -2.6100 -0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -0.1732 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2374 -0.3078 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 20 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 19 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 22 1 0 0 0 0 20 21 3 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M CHG 2 3 1 26 -1 M END $$$$