BR3NQ1 -OEChem-04022108073D 52 55 0 1 0 0 0 0 0999 V2000 -4.9030 4.3493 -0.2810 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 1.0083 -1.4064 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0713 -1.1624 -1.3441 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 1.1389 0.8806 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8115 4.2331 0.8606 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9503 3.7412 0.2818 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -2.4664 -0.2113 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0927 -2.5985 2.1924 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 -2.0621 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 -2.9891 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6325 -2.2998 0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8989 -1.7763 0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 -1.6301 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3613 -1.9193 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 -2.1258 -2.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 -1.5253 1.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 -0.8723 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1386 -1.9764 -1.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2093 -1.8164 3.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4842 0.1175 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9259 -2.3367 3.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 -0.9867 -2.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 0.0603 -1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5041 0.1387 -1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5203 1.9707 1.1337 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5758 1.1747 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8654 0.4048 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2038 1.8938 2.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0088 2.4768 -0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2985 1.7068 -0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 3.3857 0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3702 2.7429 -0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 -3.7312 -1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 -3.5415 0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3504 -1.3968 -2.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 -3.1241 -2.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 -1.8932 -3.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7201 -1.1209 1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -0.8341 1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0143 -2.7858 -2.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8052 -1.6402 4.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 -2.5695 4.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6938 -1.0307 -2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 1.6619 0.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5113 0.9969 -1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5923 -0.3989 -1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0519 2.2459 3.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0061 0.8617 2.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3326 2.5044 2.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2743 3.2746 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3623 1.8993 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0368 5.1459 0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 23 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 20 1 0 0 0 0 4 25 1 0 0 0 0 5 31 1 0 0 0 0 5 52 1 0 0 0 0 6 31 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 11 1 0 0 0 0 8 21 2 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 2 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 22 2 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 23 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 25 31 1 0 0 0 0 25 44 1 0 0 0 0 26 29 1 0 0 0 0 26 45 1 0 0 0 0 27 30 2 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 32 2 0 0 0 0 29 50 1 0 0 0 0 30 32 1 0 0 0 0 30 51 1 0 0 0 0 M END $$$$