MMs01982214 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4999 0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2606 -1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 -2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7393 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2606 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 2.5732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5213 2.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2605 1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 -0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2391 -1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7303 1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 3.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5341 3.6672 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8367 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2670 0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3734 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0495 -1.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6191 -1.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5127 -0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1559 -2.4960 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7606 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 0.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6086 1.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0914 1.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1299 -3.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -3.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0211 -2.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3634 -1.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 1.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9435 3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5262 2.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5177 0.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3599 -3.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3684 -1.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5213 -2.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7212 -2.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 39 40 1 0 0 0 0 M END