MMs00213986 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 46 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 -1.3033 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 2.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0173 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 2.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2947 0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 4.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6153 2.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9821 2.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9922 3.4759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4922 3.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2497 4.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5072 6.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0072 6.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2497 4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7807 4.4758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7497 4.7532 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.2855 0.8980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7094 0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0128 -1.0428 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.0520 -0.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0027 -2.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7452 -3.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2142 -3.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3796 -1.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0069 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3391 0.1365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3218 2.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6338 0.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0098 5.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0862 2.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1132 7.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4132 7.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3891 0.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8833 1.6135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9089 0.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2049 -1.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0278 -2.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6461 -3.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1094 -4.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3327 -4.3458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4142 -3.1586 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END