MMs03589191 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.4156 -0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 -1.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1095 -2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 -1.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2844 0.7061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4371 1.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3759 -0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7347 -1.6788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8499 -0.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8279 -1.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3018 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7978 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2718 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2498 -0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7538 -1.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2798 -2.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7317 -2.9000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 14.7237 -0.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2197 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6937 1.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2417 2.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3459 1.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8419 2.7868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3968 1.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1325 0.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3968 -1.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -2.7523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 -3.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3304 1.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4311 -2.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0154 1.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6686 1.9228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8830 -3.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5303 2.5060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9163 0.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8728 1.8478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4710 2.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1516 3.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4594 3.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3318 1.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 3 0 0 0 0 M END