@MOLECULE (4r,5r)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino}-1-hydroxyethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide 43 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.9985 1.8026 0.6743 C.2 1 UNL1 -0.1064 2 C -3.8998 1.9076 -0.3336 C.2 1 UNL1 0.4516 3 C -2.7569 2.3765 0.5483 C.2 1 UNL1 -0.1964 4 N -3.1544 2.5035 1.7812 N.2 1 UNL1 -0.0340 5 O -4.4621 2.1815 1.9327 O.2 1 UNL1 0.0297 6 C -8.6370 -1.3307 0.6087 C.1 1 UNL1 -0.1908 7 C -9.4581 -1.7915 1.5795 C.1 1 UNL1 0.4409 8 O -10.0288 -2.2485 2.4680 O.2 1 UNL1 -0.1214 9 C -8.0641 -0.1303 0.5396 C.1 1 UNL1 -0.0832 10 C -7.5200 1.0663 0.4075 C.1 1 UNL1 0.0350 11 C -6.2354 1.4378 0.5536 C.1 1 UNL1 0.0067 12 BR -8.3738 -2.5436 -0.8420 Br 1 UNL1 0.0466 13 O -11.4470 -0.5310 0.2332 O.2 1 UNL1 -0.4853 14 C -11.8361 0.2435 -0.5116 C.2 1 UNL1 0.4857 15 BR -8.7213 2.5170 -0.0453 Br 1 UNL1 -0.0323 16 O -3.9123 1.6936 -1.5017 O.2 1 UNL1 -0.2917 17 C -1.3936 2.6615 0.0703 C.2 1 UNL1 0.6707 18 O -0.7895 3.6860 0.2164 O.2 1 UNL1 -0.3567 19 N -0.8612 1.6004 -0.6709 N.am 1 UNL1 -0.5081 20 C 0.1125 0.9519 -0.9742 C.1 1 UNL1 0.5255 21 C 1.0324 0.1365 -1.3668 C.1 1 UNL1 -0.5228 22 C 1.8338 -0.7023 -1.8808 C.3 1 UNL1 0.3502 23 O 2.9270 -1.3736 -1.9225 O.3 1 UNL1 -0.1534 24 C 3.8307 -1.2632 -0.8600 C.ar 1 UNL1 0.2035 25 C 3.5559 -1.7284 0.4344 C.ar 1 UNL1 -0.2274 26 C 4.5783 -1.6278 1.3334 C.ar 1 UNL1 0.1940 27 C 5.8541 -1.1405 1.1789 C.ar 1 UNL1 -0.2544 28 C 5.9838 -0.7230 -0.1233 C.ar 1 UNL1 0.1331 29 C 5.1004 -0.7339 -1.1559 C.ar 1 UNL1 -0.2030 30 BR 5.5382 -0.0771 -2.8487 Br 1 UNL1 0.0696 31 BR 1.9095 -2.4680 0.9222 Br 1 UNL1 0.0661 32 C 6.8777 -1.1007 2.2342 C.2 1 UNL1 0.5519 33 C 8.1118 -0.5290 1.8217 C.3 1 UNL1 -0.1565 34 O 6.7029 -1.5200 3.3526 O.2 1 UNL1 -0.3627 35 N 9.1473 -0.0732 1.4901 N.3 1 UNL1 0.2036 36 C 10.2274 0.4106 1.1277 C.3 1 UNL1 -0.1335 37 C 11.3660 0.8950 0.7416 C.3 1 UNL1 -0.1341 38 C 11.8138 2.3656 0.8794 C.2 1 UNL1 0.4459 39 C 13.1630 2.2955 0.3114 C.2 1 UNL1 -0.0885 40 C 13.5142 1.1318 -0.0989 C.2 1 UNL1 -0.0896 41 C 12.5009 0.0870 0.0760 C.2 1 UNL1 0.4457 42 O 12.4858 -1.0697 -0.2015 O.2 1 UNL1 -0.3134 43 O 11.1807 3.2654 1.3323 O.2 1 UNL1 -0.3105 @BOND 1 30 29 1 2 23 22 1 3 23 24 1 4 22 21 1 5 16 2 2 6 21 20 3 7 29 24 ar 8 29 28 ar 9 20 19 1 10 24 25 ar 11 12 6 1 12 19 17 am 13 14 13 2 14 2 3 1 15 2 1 1 16 42 41 2 17 28 27 ar 18 40 41 1 19 40 39 2 20 15 10 1 21 17 18 2 22 17 3 1 23 41 37 1 24 39 38 1 25 10 9 2 26 10 11 2 27 25 31 1 28 25 26 ar 29 9 6 2 30 3 4 2 31 11 1 2 32 6 7 2 33 1 5 1 34 37 38 1 35 37 36 1 36 38 43 2 37 36 35 1 38 27 26 ar 39 27 32 1 40 35 33 1 41 7 8 2 42 4 5 1 43 33 32 1 44 32 34 2