@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3257 31 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.3531 8.6779 -1.3248 Cl 1 noname -0.0846 2 C1 -0.0992 7.0109 -1.1918 C.2 1 noname -0.0123 3 C2 -1.0023 6.1089 -1.7848 C.2 1 noname -0.0248 4 C3 1.0167 6.5189 -0.4897 C.2 1 noname -0.0248 5 C4 -0.7893 4.7239 -1.6757 C.2 1 noname -0.0426 6 C5 1.2257 5.1328 -0.3806 C.2 1 noname -0.0426 7 C6 0.3246 4.2249 -0.9716 C.2 1 noname -0.0445 8 C7 0.5406 2.7699 -0.8665 C.3 1 noname 0.0265 9 N1 -0.5285 2.1659 -0.1505 N.3 1 noname -0.1007 10 C8 -0.6105 0.8329 0.0725 C.2 1 noname 0.0426 11 N2 0.3674 0.0199 -0.4004 N.2 1 noname -0.2421 12 C9 -1.6926 0.2769 0.7866 C.2 1 noname -0.0151 13 C10 0.3463 -1.3190 -0.2153 C.2 1 noname 0.0481 14 C11 -1.6897 -1.1290 0.9647 C.2 1 noname 0.0510 15 C12 -2.7547 1.0410 1.3187 C.2 1 noname -0.0219 16 N3 -0.6797 -1.8790 0.4637 N.2 1 noname -0.2516 17 C13 -2.7378 -1.7539 1.6637 C.2 1 noname -0.0088 18 C14 -3.7988 0.4090 2.0167 C.2 1 noname -0.0525 19 C15 -3.7909 -0.9848 2.1888 C.2 1 noname -0.0370 20 H1 -1.8163 6.4509 -2.2987 H 1 noname 0.0638 21 H2 1.6807 7.1609 -0.0547 H 1 noname 0.0638 22 H3 -1.4494 4.0779 -2.1097 H 1 noname 0.0626 23 H4 2.0387 4.7869 0.1314 H 1 noname 0.0626 24 H5 0.5975 2.3459 -1.8716 H 1 noname 0.0482 25 H6 1.4786 2.5569 -0.3485 H 1 noname 0.0482 26 H7 -1.2345 2.7360 0.1905 H 1 noname 0.1300 27 H8 1.0983 -1.9020 -0.5853 H 1 noname 0.1062 28 H9 -2.7767 2.0541 1.2027 H 1 noname 0.0630 29 H10 -2.7368 -2.7659 1.7918 H 1 noname 0.0645 30 H11 -4.5639 0.9651 2.3998 H 1 noname 0.0622 31 H12 -4.5509 -1.4408 2.6959 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 20 1 6 4 6 2 7 4 21 1 8 5 7 2 9 5 22 1 10 6 7 1 11 6 23 1 12 7 8 1 13 8 9 1 14 8 24 1 15 8 25 1 16 9 10 1 17 9 26 1 18 10 11 2 19 10 12 1 20 11 13 1 21 12 14 1 22 12 15 2 23 13 16 2 24 13 27 1 25 14 17 2 26 14 16 1 27 15 18 1 28 15 28 1 29 17 19 1 30 17 29 1 31 18 19 2 32 18 30 1 33 19 31 1 @SUBSTRUCTURE 1 noname 1