B4USV1 -OEChem-04042106123D 39 43 0 1 0 0 0 0 0999 V2000 5.2072 1.1111 0.0708 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.6678 -1.2175 1.7503 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7766 1.9664 0.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7612 -2.6210 -1.5312 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6733 -1.9791 0.6528 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 -4.1325 0.0129 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2318 -0.4180 0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6427 0.9045 -0.3248 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0582 1.3582 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1793 -0.8260 -0.1310 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1906 0.7899 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 2.2189 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2917 -1.5565 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4609 -0.4287 1.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 0.3865 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1362 -1.3428 -1.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 1.6825 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 0.2387 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9709 -2.8922 -0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4095 2.7900 0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3318 1.3461 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 2.6216 0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5168 0.8059 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2509 1.5792 0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1293 0.6063 -0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9777 0.1066 -1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2565 2.4703 -2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4251 2.9948 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9119 -2.5832 0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1306 -1.4906 -0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 0.5368 2.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7287 -0.9618 2.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8788 -1.4831 -1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 -0.7114 -2.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9261 -0.7525 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 3.7904 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4317 3.4951 0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6868 -4.4544 0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6815 -4.7708 -0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 5 10 1 0 0 0 0 5 19 2 0 0 0 0 6 19 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 M END $$$$