@MOLECULE 3-(4-bromo-2-fluorobenzyl)-4-oxo-3h-phthalazin-1-ylacetic acid 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -4.8344 0.2343 1.1616 Br 1 UNL1 -0.0429 2 F -1.2097 1.5470 -2.2743 F 1 UNL1 -0.1551 3 O 1.1005 -2.9961 -0.8106 O.2 1 UNL1 -0.5019 4 O 3.3962 4.0703 0.3823 O.3 1 UNL1 -0.5715 5 O 2.1928 2.4826 1.3840 O.2 1 UNL1 -0.4733 6 N 1.2955 -0.8777 -1.5724 N.ar 1 UNL1 -0.2921 7 N 1.8119 0.3595 -1.5252 N.ar 1 UNL1 -0.1367 8 C 3.3215 -0.3397 0.2525 C.ar 1 UNL1 0.0204 9 C 2.7563 -1.6245 0.2314 C.ar 1 UNL1 -0.1548 10 C 0.0717 -0.9978 -2.3966 C.3 1 UNL1 -0.0360 11 C 2.7859 0.6323 -0.6871 C.ar 1 UNL1 0.0434 12 C 1.6696 -1.9307 -0.7026 C.ar 1 UNL1 0.5433 13 C -1.1412 -0.6909 -1.5649 C.ar 1 UNL1 -0.1294 14 C 3.3054 2.0351 -0.7509 C.3 1 UNL1 -0.3318 15 C 4.3465 -0.0573 1.1669 C.ar 1 UNL1 -0.1616 16 C 3.2012 -2.6164 1.1147 C.ar 1 UNL1 -0.0720 17 C 4.7843 -1.0442 2.0373 C.ar 1 UNL1 -0.0929 18 C 4.2147 -2.3248 2.0137 C.ar 1 UNL1 -0.1647 19 C -1.7154 0.5826 -1.5246 C.ar 1 UNL1 0.2202 20 C -1.7043 -1.6887 -0.7654 C.ar 1 UNL1 -0.0820 21 C -2.8162 0.8903 -0.7234 C.ar 1 UNL1 -0.2387 22 C -2.8047 -1.4179 0.0455 C.ar 1 UNL1 -0.1949 23 C 2.8730 2.8146 0.4541 C.2 1 UNL1 0.6446 24 C -3.3395 -0.1345 0.0532 C.ar 1 UNL1 0.0305 25 H 0.0346 -2.0469 -2.7897 H 1 UNL1 0.1772 26 H 0.1614 -0.3288 -3.2862 H 1 UNL1 0.1761 27 H 2.9361 2.5580 -1.6737 H 1 UNL1 0.2142 28 H 4.4148 2.0496 -0.8538 H 1 UNL1 0.1953 29 H 4.7874 0.9371 1.2036 H 1 UNL1 0.1610 30 H 2.7403 -3.6080 1.0819 H 1 UNL1 0.1779 31 H 5.5771 -0.8238 2.7532 H 1 UNL1 0.1552 32 H 4.5695 -3.0870 2.7061 H 1 UNL1 0.1608 33 H -1.2652 -2.6936 -0.7678 H 1 UNL1 0.1873 34 H -3.2324 1.8982 -0.7119 H 1 UNL1 0.1903 35 H -3.2246 -2.2115 0.6644 H 1 UNL1 0.1767 36 H 3.1308 4.6522 1.1356 H 1 UNL1 0.3578 @BOND 1 26 10 1 2 25 10 1 3 10 6 1 4 10 13 1 5 2 19 1 6 27 14 1 7 6 7 ar 8 6 12 ar 9 13 19 ar 10 13 20 ar 11 7 11 ar 12 19 21 ar 13 28 14 1 14 3 12 2 15 33 20 1 16 20 22 ar 17 14 11 1 18 14 23 1 19 21 34 1 20 21 24 ar 21 12 9 ar 22 11 8 ar 23 22 24 ar 24 22 35 1 25 24 1 1 26 9 8 ar 27 9 16 ar 28 8 15 ar 29 4 23 1 30 4 36 1 31 23 5 2 32 30 16 1 33 16 18 ar 34 15 29 1 35 15 17 ar 36 18 17 ar 37 18 32 1 38 17 31 1