MMs00745543 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 41 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 -1.5000 0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2453 1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4905 2.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7547 1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 1.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2547 1.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2452 -1.3181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -1.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4905 -2.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9905 -2.6308 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7358 -3.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2358 -3.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9905 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4905 -2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2357 -3.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4810 -5.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9810 -5.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2263 -6.5470 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.7357 -3.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7453 1.3127 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 -1.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1038 -1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0868 3.6449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6132 3.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8709 -0.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2041 -1.1934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6415 -2.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5412 -0.1411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8743 -0.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3614 -3.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6946 -3.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6066 -4.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9398 -5.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3943 -1.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0942 -1.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3773 -6.2768 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 M END