MMs02994542 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 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 1.3018 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3073 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 -2.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9054 -2.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8998 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4979 -0.7261 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5371 -1.3261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5034 -2.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 1.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0960 -0.7166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3867 1.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6830 2.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9848 1.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6940 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6995 -2.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4033 -2.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0013 -2.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0068 -4.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 1.5191 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 1.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6906 1.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1851 3.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 -4.4904 0.0000 C 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 -1.0414 0.5962 0.0000 H 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 0.2703 -2.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 -2.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5937 1.2095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3034 -2.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5078 -3.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7034 -2.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1004 -1.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3453 2.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6786 3.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0218 2.1515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0317 -0.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8068 -4.4567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0112 -5.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2068 -4.4479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3851 3.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 4.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 3.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4146 -4.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -5.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8146 -4.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END