D01MPE Wcorina 11010620243D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 78 82 0 1 0 999 V2000 -0.0183 1.4957 0.0103 C 0 0 1 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 -0.0183 -0.6878 -1.1485 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3827 1.0550 -1.1793 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 2.0540 -0.0004 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2539 0.8453 -2.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1676 -0.0139 -2.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7758 -5.1074 -2.6039 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7268 1.9717 -1.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1466 -5.3760 -2.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 1.5246 -3.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -4.2256 -1.3139 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7205 -0.1956 -3.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3984 3.4947 -0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0513 2.1542 -1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.6066 1.0542 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5332 -3.6763 -2.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1462 -5.9205 -1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6886 -5.8606 -3.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6003 1.9238 0.0067 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2338 -2.1368 -1.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9141 4.4757 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8737 3.8327 -1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 1.3406 -4.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6386 -5.6566 -1.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0257 -3.4125 -2.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 -2.4304 -1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5273 0.4830 -4.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3703 6.1394 -1.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 5.7971 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8591 5.1525 -2.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7773 2.1899 -6.2487 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9572 -3.9437 -1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8868 -6.0739 -4.9581 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3563 7.4386 -1.6517 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9684 -5.1657 -1.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 2.6464 -2.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0457 -6.1251 -3.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5115 -6.5719 -6.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7944 7.7175 -2.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3217 -5.4322 -1.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8597 -5.9077 -2.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5332 1.8435 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 1.9761 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 2.1941 -3.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5608 -0.8647 -3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9984 -3.0961 -3.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9602 -3.3845 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5687 -5.6542 -0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3291 -6.9764 -1.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 -2.5871 -1.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1598 -2.5554 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3271 4.2087 1.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 3.0641 -2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2116 -5.9485 -2.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1734 -6.2369 -0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 -2.3565 -2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6031 -3.6788 -3.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2459 -1.9801 -0.3840 H 0 0 0 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43 1 0 0 0 0 2 3 1 0 0 0 0 2 16 2 0 0 0 0 3 7 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 14 1 0 0 0 0 5 44 1 0 0 0 0 6 11 2 0 0 0 0 6 7 1 0 0 0 0 7 13 2 0 0 0 0 8 18 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 15 1 0 0 0 0 10 19 2 0 0 0 0 10 36 1 0 0 0 0 11 24 1 0 0 0 0 11 45 1 0 0 0 0 12 33 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 28 1 0 0 0 0 13 46 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 15 20 2 0 0 0 0 15 37 1 0 0 0 0 17 26 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 25 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 34 1 0 0 0 0 19 38 1 0 0 0 0 21 27 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 30 1 0 0 0 0 22 53 1 0 0 0 0 23 31 2 0 0 0 0 23 54 1 0 0 0 0 24 32 1 0 0 0 0 24 28 2 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 33 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 2 0 0 0 0 29 35 1 0 0 0 0 29 31 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 39 1 0 0 0 0 35 40 1 0 0 0 0 36 41 2 0 0 0 0 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