D08UGB Wcorina 10100417223D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 52 56 0 0 0 0 0 0 0999 V2000 -2.3280 -3.1764 -0.5520 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9065 4.6785 -1.1667 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2346 2.0948 -0.1336 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0748 4.5560 0.0641 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 10.4407 0.6465 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7046 9.9049 -0.3281 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 -0.3704 -0.3316 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5997 -0.5175 -0.3738 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1302 -1.7099 -0.4688 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2396 4.0757 -0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8699 1.6874 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0954 3.0880 -0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5871 1.8593 -1.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4652 1.1423 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8231 0.7924 1.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 0.9834 -1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5023 0.2810 0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8556 0.1323 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5211 0.4820 -1.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4667 0.9405 2.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8618 -0.0673 2.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8144 0.5932 3.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 0.0901 3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3848 0.3458 -0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1733 -1.6827 -0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 2.2575 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 3.7123 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5851 5.4265 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8106 5.8420 -0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 6.3564 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2712 8.1115 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1545 7.1757 -0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 7.6905 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6356 9.5400 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4725 1.3919 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8463 3.7141 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2277 3.6153 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0429 1.5781 -2.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6615 1.6769 -1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3214 1.2503 -2.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0307 0.3656 -2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4733 1.3293 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8553 -0.4586 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3115 0.7081 4.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0209 -0.1787 4.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 1.7028 0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9637 1.8579 -1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9332 3.3978 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7503 6.0311 0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1054 7.4979 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3531 8.4115 1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 11.3654 0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 29 1 0 0 0 0 3 24 1 0 0 0 0 3 26 1 0 0 0 0 4 27 2 0 0 0 0 5 34 1 0 0 0 0 5 52 1 0 0 0 0 6 34 2 0 0 0 0 7 18 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 24 2 0 0 0 0 9 25 2 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 M END $$$$