@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443934 30 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 4.1515 -9.2911 -1.1471 Cl 1 noname -0.0774 2 C1 3.7334 -7.7139 -1.6250 C.2 1 noname 0.0125 3 C2 4.6294 -6.6108 -1.5610 C.2 1 noname -0.0038 4 C3 2.4083 -7.5199 -2.0660 C.2 1 noname 0.0096 5 C4 5.9844 -6.7208 -1.1469 C.2 1 noname 0.0145 6 C5 4.1523 -5.3317 -1.9310 C.2 1 noname -0.0256 7 C6 1.9552 -6.2428 -2.4390 C.2 1 noname -0.0005 8 C7 6.4774 -5.9457 -0.0648 C.2 1 noname 0.0225 9 C8 6.8874 -7.5818 -1.8169 C.2 1 noname 0.0350 10 C9 2.8312 -5.1476 -2.3669 C.2 1 noname -0.0206 11 Cl2 0.3621 -6.0227 -2.9659 Cl 1 noname -0.0824 12 N1 7.7774 -6.0337 0.3292 N.2 1 noname -0.2087 13 C10 8.2194 -7.6518 -1.3858 C.2 1 noname 0.0986 14 C11 8.6314 -6.8657 -0.3117 C.2 1 noname 0.1036 15 O1 9.2474 -8.3978 -1.8648 O.3 1 noname -0.3617 16 C12 9.9745 -7.1407 -0.1187 C.2 1 noname 0.1143 17 C13 10.3144 -8.0817 -1.0867 C.2 1 noname 0.0505 18 N2 10.8724 -6.6676 0.7753 N.2 1 noname -0.2184 19 C14 11.6375 -8.5397 -1.1136 C.2 1 noname 0.0912 20 C15 12.1515 -7.1246 0.7314 C.2 1 noname 0.0635 21 N3 12.5144 -8.0446 -0.2025 N.2 1 noname -0.2174 22 N4 12.0425 -9.4457 -2.0136 N.3 1 noname -0.0997 23 H1 1.7632 -8.3129 -2.1099 H 1 noname 0.0654 24 H2 4.7703 -4.5186 -1.8950 H 1 noname 0.0630 25 H3 5.8553 -5.3116 0.4382 H 1 noname 0.0846 26 H4 6.5833 -8.1468 -2.6119 H 1 noname 0.0658 27 H5 2.5161 -4.2126 -2.6319 H 1 noname 0.0638 28 H6 12.8404 -6.7765 1.3985 H 1 noname 0.1062 29 H7 11.4154 -9.7987 -2.6626 H 1 noname 0.1258 30 H8 12.9634 -9.7466 -2.0116 H 1 noname 0.1258 @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 23 1 8 5 8 2 9 5 9 1 10 6 10 2 11 6 24 1 12 7 11 1 13 7 10 1 14 8 12 1 15 8 25 1 16 9 13 2 17 9 26 1 18 10 27 1 19 12 14 2 20 13 15 1 21 13 14 1 22 14 16 1 23 15 17 1 24 16 18 1 25 16 17 2 26 17 19 1 27 18 20 2 28 19 21 2 29 19 22 1 30 20 21 1 31 20 28 1 32 22 29 1 33 22 30 1 @SUBSTRUCTURE 1 noname 1