MMs00721943 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 38 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 -0.7581 1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2581 1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2418 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7418 -1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2417 -1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7417 -1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4835 -2.6451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9835 -2.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7416 -1.3603 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.7253 -3.9583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2253 -3.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9834 -2.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4834 -2.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2252 -3.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4671 -5.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9671 -5.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2090 -6.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7090 -6.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7252 -3.9960 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1647 2.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8646 2.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 -2.3561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1353 -2.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1064 1.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6352 -2.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8770 -3.6806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1188 -4.9937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3900 -1.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0899 -1.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0605 -6.3238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9508 -7.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3443 -8.9049 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 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 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 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 2 0 0 0 0 18 23 1 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 21 22 2 0 0 0 0 21 36 1 0 0 0 0 36 37 1 0 0 0 0 M END