MMs01371211 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 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 1.5000 0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -1.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7538 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7461 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2461 1.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7538 -1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2538 -1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1391 -2.4854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5286 0.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5643 -2.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5598 -0.5177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1319 -0.0584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7804 -2.8957 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1489 -2.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3651 -3.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2127 -4.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7336 -2.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0411 -1.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5324 -0.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1466 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0348 -3.2916 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.6147 -2.5921 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0036 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6569 -2.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3569 -2.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 2.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 2.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6274 -1.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9657 -2.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4750 -1.2887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0097 -1.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2355 -0.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1293 0.1249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END