@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443506 55 59 1 SMALL USER_CHARGES @ATOM 1 Cl1 14.9870 -16.4856 -2.0940 Cl 1 noname -0.0591 2 C1 13.4130 -16.2365 -1.5189 C.2 1 noname 0.0479 3 C2 12.9610 -14.9445 -1.1589 C.2 1 noname 0.0524 4 C3 12.5410 -17.3415 -1.3849 C.2 1 noname 0.0195 5 O1 13.7819 -13.8555 -1.2979 O.3 1 noname -0.1896 6 C4 11.6369 -14.8285 -0.6999 C.2 1 noname 0.0608 7 N1 11.2710 -17.1714 -0.9238 N.2 1 noname -0.2147 8 C5 13.9048 -12.8615 -0.3648 C.2 1 noname 0.0198 9 N2 10.9149 -13.7764 -0.3069 N.3 1 noname -0.0041 10 C6 10.8189 -15.9424 -0.5858 C.2 1 noname 0.0863 11 C7 13.8768 -13.1024 1.0241 C.2 1 noname -0.0079 12 C8 14.1008 -11.5484 -0.8248 C.2 1 noname -0.0079 13 C9 9.6929 -14.2174 0.0481 C.2 1 noname -0.0080 14 N3 9.6219 -15.5544 -0.1228 N.2 1 noname -0.1813 15 C10 14.0187 -12.0414 1.9341 C.2 1 noname -0.0056 16 C11 14.2437 -10.4874 0.0841 C.2 1 noname -0.0056 17 C12 8.6648 -13.3854 0.5221 C.2 1 noname 0.0313 18 C13 14.2057 -10.7164 1.4792 C.2 1 noname -0.0176 19 C14 7.3658 -13.7013 0.9212 C.2 1 noname 0.0389 20 C15 8.7548 -12.0114 0.6922 C.2 1 noname -0.0493 21 C16 14.3526 -9.6443 2.3902 C.2 1 noname 0.0099 22 N4 6.7538 -12.5653 1.2982 N.2 1 noname -0.3207 23 C17 6.6948 -15.0052 0.9602 C.3 1 noname 0.0458 24 N5 7.5758 -11.5734 1.1612 N.3 1 noname -0.0282 25 O2 14.2366 -8.4583 2.0003 O.2 1 noname -0.2963 26 N6 14.6256 -9.8663 3.6982 N.3 1 noname -0.0750 27 C18 7.2478 -10.2304 1.4692 C.3 1 noname -0.0372 28 C19 14.7795 -8.8203 4.6482 C.3 1 noname 0.0281 29 C20 15.0905 -9.3812 5.9763 C.2 1 noname -0.0486 30 C21 14.2124 -9.1932 7.0643 C.2 1 noname -0.0531 31 C22 16.2824 -10.1092 6.1743 C.2 1 noname -0.0531 32 C23 14.5184 -9.7291 8.3273 C.2 1 noname -0.0594 33 C24 16.5893 -10.6451 7.4363 C.2 1 noname -0.0594 34 C25 15.7063 -10.4551 8.5134 C.2 1 noname -0.0613 35 H1 12.8549 -18.2804 -1.6338 H 1 noname 0.0857 36 H2 11.2208 -12.8564 -0.2758 H 1 noname 0.1545 37 H3 13.7518 -14.0513 1.3761 H 1 noname 0.0650 38 H4 14.1337 -11.3634 -1.8277 H 1 noname 0.0650 39 H5 13.9827 -12.2473 2.9331 H 1 noname 0.0631 40 H6 14.3797 -9.5423 -0.2787 H 1 noname 0.0631 41 H7 9.5718 -11.4314 0.4962 H 1 noname 0.0816 42 H8 7.3447 -15.8072 0.6173 H 1 noname 0.0296 43 H9 6.3848 -15.2152 1.9832 H 1 noname 0.0296 44 H10 5.8118 -14.9702 0.3213 H 1 noname 0.0296 45 H11 14.7255 -10.7822 4.0013 H 1 noname 0.1317 46 H12 8.0887 -9.5633 1.2733 H 1 noname 0.0453 47 H13 6.3987 -9.9183 0.8613 H 1 noname 0.0453 48 H14 6.9767 -10.1593 2.5233 H 1 noname 0.0453 49 H15 15.5935 -8.1612 4.3403 H 1 noname 0.0483 50 H16 13.8575 -8.2362 4.6843 H 1 noname 0.0483 51 H17 13.3474 -8.6671 6.9384 H 1 noname 0.0626 52 H18 16.9283 -10.2501 5.3964 H 1 noname 0.0626 53 H19 13.8783 -9.5900 9.1094 H 1 noname 0.0622 54 H20 17.4532 -11.1710 7.5714 H 1 noname 0.0622 55 H21 15.9292 -10.8450 9.4304 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 35 1 8 5 8 1 9 6 9 1 10 6 10 2 11 7 10 1 12 8 11 2 13 8 12 1 14 9 13 1 15 9 36 1 16 10 14 1 17 11 15 1 18 11 37 1 19 12 16 2 20 12 38 1 21 13 17 1 22 13 14 2 23 15 18 2 24 15 39 1 25 16 18 1 26 16 40 1 27 17 19 1 28 17 20 2 29 18 21 1 30 19 22 2 31 19 23 1 32 20 24 1 33 20 41 1 34 21 25 2 35 21 26 1 36 22 24 1 37 23 42 1 38 23 43 1 39 23 44 1 40 24 27 1 41 26 28 1 42 26 45 1 43 27 46 1 44 27 47 1 45 27 48 1 46 28 29 1 47 28 49 1 48 28 50 1 49 29 30 2 50 29 31 1 51 30 32 1 52 30 51 1 53 31 33 2 54 31 52 1 55 32 34 2 56 32 53 1 57 33 34 1 58 33 54 1 59 34 55 1 @SUBSTRUCTURE 1 noname 1