@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444634 37 39 1 SMALL USER_CHARGES @ATOM 1 Cl1 16.0456 -21.2857 -3.1597 Cl 1 noname -0.0004 2 C1 15.8705 -20.4967 -1.6797 C.2 1 noname 0.0860 3 N1 15.4355 -19.2177 -1.6356 N.2 1 noname -0.2167 4 N2 16.1654 -21.1336 -0.5246 N.2 1 noname -0.2270 5 C2 15.2804 -18.5317 -0.4746 C.2 1 noname 0.0435 6 C3 16.0314 -20.5186 0.6743 C.2 1 noname 0.0475 7 N3 14.8304 -17.2447 -0.4796 N.3 1 noname 0.0027 8 C4 15.5774 -19.1776 0.7453 C.2 1 noname -0.0193 9 C5 16.3513 -21.2196 1.8483 C.2 1 noname 0.0407 10 C6 14.4934 -16.5027 -1.5675 C.2 1 noname -0.0424 11 C7 15.4404 -18.5666 2.0103 C.2 1 noname 0.0263 12 C8 16.2273 -20.5995 3.1033 C.2 1 noname 0.0622 13 C9 13.3474 -15.6906 -1.4745 C.2 1 noname -0.0470 14 C10 15.2623 -16.4706 -2.7514 C.2 1 noname -0.0470 15 C11 15.7473 -19.2735 3.1863 C.2 1 noname 0.0477 16 O1 16.5723 -21.3214 4.2043 O.3 1 noname -0.2628 17 C12 12.9553 -14.8806 -2.5544 C.2 1 noname -0.0328 18 C13 14.8713 -15.6616 -3.8333 C.2 1 noname -0.0328 19 O2 15.5733 -18.6325 4.3743 O.3 1 noname -0.2652 20 C14 17.6572 -20.8714 5.0203 C.3 1 noname 0.0424 21 C15 13.7152 -14.8686 -3.7363 C.2 1 noname -0.0245 22 C16 14.6383 -19.1564 5.3213 C.3 1 noname 0.0424 23 O3 13.3442 -14.0936 -4.7792 O.3 1 noname -0.2898 24 H1 14.6893 -16.8287 0.3843 H 1 noname 0.1357 25 H2 16.6843 -22.1825 1.7913 H 1 noname 0.0674 26 H3 15.1073 -17.6046 2.0873 H 1 noname 0.0659 27 H4 12.7893 -15.6896 -0.6194 H 1 noname 0.0640 28 H5 16.1103 -17.0316 -2.8294 H 1 noname 0.0640 29 H6 12.1193 -14.3006 -2.4773 H 1 noname 0.0650 30 H7 15.4292 -15.6486 -4.6873 H 1 noname 0.0650 31 H8 17.8091 -21.5893 5.8263 H 1 noname 0.0535 32 H9 18.5711 -20.8074 4.4284 H 1 noname 0.0535 33 H10 17.4392 -19.8964 5.4573 H 1 noname 0.0535 34 H11 14.6052 -18.4914 6.1853 H 1 noname 0.0535 35 H12 13.6433 -19.2084 4.8783 H 1 noname 0.0535 36 H13 14.9372 -20.1503 5.6573 H 1 noname 0.0535 37 H14 12.5282 -13.5705 -4.6292 H 1 noname 0.2181 @BOND 1 1 2 1 2 2 3 1 3 2 4 2 4 3 5 2 5 4 6 1 6 5 7 1 7 5 8 1 8 6 9 2 9 6 8 1 10 7 10 1 11 7 24 1 12 8 11 2 13 9 12 1 14 9 25 1 15 10 13 2 16 10 14 1 17 11 15 1 18 11 26 1 19 12 16 1 20 12 15 2 21 13 17 1 22 13 27 1 23 14 18 2 24 14 28 1 25 15 19 1 26 16 20 1 27 17 21 2 28 17 29 1 29 18 21 1 30 18 30 1 31 19 22 1 32 20 31 1 33 20 32 1 34 20 33 1 35 21 23 1 36 22 34 1 37 22 35 1 38 22 36 1 39 23 37 1 @SUBSTRUCTURE 1 noname 1