MMs03681797 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 41 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 0.7743 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5486 -2.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3719 -1.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3997 -0.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5104 -2.0590 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5496 -2.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8233 -1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8515 0.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -2.1079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4209 -1.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7056 -2.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0185 -1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0468 0.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3032 -2.2057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6161 -1.4803 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.6161 -2.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6444 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9573 0.7448 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.9799 1.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9008 -2.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2138 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4821 -3.5587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5139 0.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 1.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0278 -0.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5209 -3.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1681 -3.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5764 -1.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6648 -0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8129 0.4232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0854 -3.3077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 -0.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2094 -0.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9171 -3.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4595 -3.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2806 -3.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4589 -0.1667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2553 1.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5682 -4.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8726 -3.7544 0.0000 O 0 5 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 4 1 0 0 0 0 2 7 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 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 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 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 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 24 41 1 0 0 0 0 M CHG 1 42 -1 M END