MMs01453935 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 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 1.0861 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 -0.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2584 -3.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 -1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4032 0.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7901 0.8069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6752 2.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8176 3.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2173 2.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4312 1.3779 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0676 0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3871 0.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 2.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6646 -0.0521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9842 0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3369 0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3714 1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6582 2.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1828 2.1479 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6075 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4650 -2.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0205 -1.9659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 0.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8689 0.8277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8277 -0.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1202 -1.7465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6196 -2.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9192 -2.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 3.7858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1352 3.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -0.8765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8128 -0.9198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6310 -1.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5609 0.9401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1768 3.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2370 -3.1462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9344 -1.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 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 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END