MMs01081227 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 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 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -1.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 -2.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0099 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7549 -1.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 -1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1412 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 -2.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5603 -0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -0.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7705 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1431 -0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3056 -1.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4681 -3.2326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3533 0.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7259 0.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9361 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7736 2.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4009 3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 2.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9837 3.2950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -1.3133 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7507 0.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7393 -2.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 -1.3190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1039 1.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0861 -3.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 -3.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7748 -3.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5395 -2.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6405 1.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8559 -1.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0342 0.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2710 4.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0927 2.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 -0.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 -2.3606 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 23 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 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 3 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 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 M END