D0O4LO Wcorina 08120616573D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 -0.1867 1.6908 -0.8235 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1361 1.7603 -0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 0.6022 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3335 -0.1506 0.2172 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 0.4909 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0439 -0.0000 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 -0.5249 0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0047 -0.9764 0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6503 -0.9092 -0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 -0.3894 -1.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 0.0647 -1.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7778 0.2383 0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -1.0483 0.6566 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5108 1.0990 1.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 -1.4013 1.2413 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2484 -2.0648 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6128 -2.3142 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4308 -3.1915 2.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4656 -2.5001 3.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1345 -2.2453 2.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 2.6692 -1.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 3.3508 -0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6735 4.3185 -1.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 4.6087 -2.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3925 3.9307 -3.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6593 2.9625 -2.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2834 -1.4792 -0.8658 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3194 5.8249 -3.6454 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 -0.6102 2.1614 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2325 3.0906 -0.8728 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 4.0495 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4856 2.4388 -1.0279 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5179 -1.3830 1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5076 -0.3397 -2.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1944 0.4699 -2.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6277 -1.7236 0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.0162 -0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3728 -1.4286 -0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2655 -2.8207 0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0579 -1.3622 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0219 -4.1583 1.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3945 -3.3359 2.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 -3.1394 3.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8927 -1.5510 3.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4498 -1.7402 3.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 -3.1958 2.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 3.1242 0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 4.8490 -0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 4.1587 -4.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1263 2.4339 -3.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5943 3.4232 1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8929 4.9124 0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2239 4.3889 0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 2 30 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$