D0H8OH Wcorina 11010620313D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 61 64 0 0 0 999 V2000 -0.0166 1.3745 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1794 2.0849 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 2.1661 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 -0.6775 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 -0.8317 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 1.4282 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4771 1.2945 -0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 2.6843 1.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1761 3.3543 -0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.0305 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4539 0.0064 0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5055 -1.3563 -1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0888 -2.0161 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6761 2.2110 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7011 -0.6882 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 2.3631 -1.3958 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7199 -2.0321 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 3.5283 -2.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 1.3241 -2.3055 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0046 -2.7501 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8327 3.2402 -3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7909 1.8511 -3.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0244 -4.1494 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 -2.0337 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -4.8152 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3985 -2.7002 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 -4.0988 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7054 -4.8183 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8629 -4.1283 -0.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7224 -6.0332 -0.0428 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1586 3.1647 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2271 -1.7574 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4112 1.8280 -0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 1.0501 -1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 3.3233 1.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 3.2577 1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6221 1.8412 2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9911 2.9900 -1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1018 3.9297 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3482 3.9898 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3749 -0.5531 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 0.2533 1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6618 -1.9713 -1.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 -1.9557 -1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6161 -0.5156 -2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9016 -1.6470 1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9979 -2.6175 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2472 -2.6278 0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 3.1952 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4281 1.6798 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6287 -0.1352 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 -2.5851 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3578 4.5143 -1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 3.9562 -4.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 1.3072 -4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0969 -4.7027 -0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1919 -0.9538 -0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -5.8951 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3263 -2.1475 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6811 -4.6435 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 32 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 2 0 0 0 0 5 33 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 16 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 2 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 53 1 0 0 0 0 19 22 2 0 0 0 0 19 54 1 0 0 0 0 20 23 2 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 25 27 2 0 0 0 0 25 58 1 0 0 0 0 26 28 2 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 61 1 0 0 0 0 M END $$$$