MMs00684508 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 40 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 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2548 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5097 -2.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 -1.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 -1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1223 -2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5506 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 -0.5660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5296 0.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1313 -0.0972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7608 -2.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5985 -4.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1334 -2.3472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3436 -3.2334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7162 -2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9265 -3.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7641 -5.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9743 -5.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3469 -5.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5093 -3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2990 -2.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4614 -1.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5572 -6.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7548 -1.2851 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 1.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0961 1.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1135 -3.6295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5864 -3.6395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 -3.6641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2633 -1.1543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8461 -1.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 -5.4898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8445 -7.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6073 -3.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5595 -0.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4273 -7.3661 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 26 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 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 33 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 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M END