MMs00658459 MOE2007 2D CORINA 3.40 0006 02.08.2006 32 35 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 -0.7565 -1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0131 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4869 -2.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2434 -1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7091 -1.6296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 -0.8312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -3.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -3.7254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1536 -3.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4564 -3.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7516 -3.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0544 -3.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3497 -3.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3421 -5.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0393 -6.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7441 -5.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4413 -6.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -5.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8432 -6.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0317 -7.6483 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 11.6525 -3.1614 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.9477 -3.9180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6600 -1.6615 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5948 1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9565 -1.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6183 -3.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1052 1.0286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4624 -1.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0605 -1.9484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3783 -6.0101 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END