MMs01611352 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 -0.7405 1.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2404 1.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2594 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7595 -1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 0.0329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2594 -1.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7593 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4998 0.0549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7403 1.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2404 1.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9998 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7402 1.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7592 -1.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2592 -1.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0187 -2.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2782 -3.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5187 -2.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3914 -1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8214 -1.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8323 -3.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4092 -3.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.0523 -4.1051 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1329 2.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8328 2.3591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -2.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1671 -2.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1348 -1.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4764 -2.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5596 -2.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8899 -1.6518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8649 1.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5233 2.5286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1097 1.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4401 2.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6346 -1.6463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9763 -2.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8516 -0.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0123 -0.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7870 -1.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 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 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 M END