MMs01689151 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 1.4797 -0.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4325 0.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9122 0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4391 -0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9189 -0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8716 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3447 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 1.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3513 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3041 1.0878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7772 2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7838 0.8420 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0297 2.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 -0.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2635 0.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7905 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2702 -1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2230 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6960 1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2163 1.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6488 2.6673 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 16.7027 -0.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2296 -1.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1967 1.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1838 0.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1967 -1.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0805 -1.3775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5248 -0.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6769 -1.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3404 -2.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1069 2.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 2.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9521 -1.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3965 -0.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9007 2.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3556 3.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6537 2.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0283 -1.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6918 -2.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7948 2.8782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1061 -1.9674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6512 -2.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3532 -1.1243 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 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 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 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 41 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END