MMs01958052 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 47 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 1.5000 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7408 -1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2409 -1.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7367 -2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1113 -1.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9649 -0.3535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4136 0.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3186 -2.7365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2087 -1.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9071 -0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0288 0.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4521 0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7538 -1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6321 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6216 -3.5026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1918 -3.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7183 -5.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8289 -4.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7272 2.4055 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.7769 -4.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5695 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0084 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 2.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3662 2.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6336 -2.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3378 0.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3495 1.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8924 -1.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1168 -5.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7948 -5.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5410 -3.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9079 -5.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4409 -5.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4184 -3.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 -5.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1514 -4.2271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1173 -4.9392 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 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 42 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 32 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 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 42 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 42 43 1 0 0 0 0 M END