@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3526 30 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.7787 4.6053 6.0856 Cl 1 noname -0.0837 2 C1 2.5767 4.8703 4.4277 C.2 1 noname -0.0144 3 C2 1.6497 4.1024 3.6958 C.2 1 noname -0.0244 4 C3 3.3297 5.8624 3.7737 C.2 1 noname -0.0490 5 C4 1.4816 4.3094 2.3098 C.2 1 noname -0.0212 6 C5 3.1536 6.0875 2.3988 C.2 1 noname -0.0527 7 N1 0.5846 3.6185 1.5589 N.3 1 noname 0.0066 8 C6 2.2306 5.3175 1.6719 C.2 1 noname -0.0539 9 C7 0.3496 2.2765 1.5969 C.2 1 noname 0.0519 10 N2 1.0505 1.4716 2.4370 N.2 1 noname -0.2105 11 C8 -0.6204 1.6996 0.7480 C.2 1 noname 0.0199 12 C9 0.8565 0.1347 2.5030 C.2 1 noname 0.0552 13 C10 -0.8054 0.2976 0.8350 C.2 1 noname 0.0568 14 C11 -1.4025 2.4366 -0.1649 C.2 1 noname 0.0038 15 N3 -0.0695 -0.4372 1.7021 N.2 1 noname -0.2204 16 C12 -1.7555 -0.3422 0.0201 C.2 1 noname 0.0653 17 C13 -2.3475 1.7867 -0.9748 C.2 1 noname 0.0260 18 C14 -2.5415 0.3888 -0.8978 C.2 1 noname 0.0534 19 N4 -3.4636 -0.2381 -1.6907 N.2 1 noname -0.0120 20 O1 -4.1086 0.3599 -2.5107 O.2 1 noname -0.1444 21 O2 -3.6756 -1.4220 -1.6057 O.3 1 noname -0.1444 22 H1 1.0916 3.3915 4.1718 H 1 noname 0.0655 23 H2 4.0046 6.4284 4.2918 H 1 noname 0.0638 24 H3 3.6966 6.8115 1.9269 H 1 noname 0.0623 25 H4 0.0945 4.1285 0.8969 H 1 noname 0.1357 26 H5 2.1075 5.4905 0.6740 H 1 noname 0.0639 27 H6 1.4024 -0.4342 3.1491 H 1 noname 0.1062 28 H7 -1.2915 3.4477 -0.2478 H 1 noname 0.0631 29 H8 -1.8745 -1.3531 0.0951 H 1 noname 0.0670 30 H9 -2.9025 2.3397 -1.6298 H 1 noname 0.0647 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 22 1 6 4 6 2 7 4 23 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 24 1 12 7 9 1 13 7 25 1 14 8 26 1 15 9 10 2 16 9 11 1 17 10 12 1 18 11 13 1 19 11 14 2 20 12 15 2 21 12 27 1 22 13 16 2 23 13 15 1 24 14 17 1 25 14 28 1 26 16 18 1 27 16 29 1 28 17 18 2 29 17 30 1 30 18 19 1 31 19 20 2 32 19 21 1 @SUBSTRUCTURE 1 noname 1