@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443935 30 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 5.5701 -11.9622 -1.0593 Cl 1 noname -0.0724 2 C1 5.9470 -10.5751 -0.1542 C.2 1 noname 0.0230 3 C2 4.9809 -9.8380 0.5738 C.2 1 noname 0.0224 4 C3 7.2931 -10.1550 -0.1441 C.2 1 noname -0.0016 5 Cl2 3.3348 -10.2520 0.6329 Cl 1 noname -0.0727 6 C4 5.3859 -8.6979 1.2929 C.2 1 noname -0.0144 7 C5 7.7120 -9.0109 0.5759 C.2 1 noname -0.0278 8 C6 6.7289 -8.2919 1.2940 C.2 1 noname -0.0318 9 C7 9.0791 -8.5978 0.5799 C.2 1 noname 0.0131 10 C8 9.4381 -7.2237 0.6350 C.2 1 noname 0.0195 11 C9 10.1361 -9.5438 0.5310 C.2 1 noname 0.0322 12 N1 10.7381 -6.8256 0.6410 N.2 1 noname -0.2096 13 C10 11.4661 -9.1047 0.5401 C.2 1 noname 0.0983 14 C11 11.7331 -7.7396 0.5961 C.2 1 noname 0.1006 15 O1 12.6171 -9.8247 0.5051 O.3 1 noname -0.3617 16 C12 13.1122 -7.6105 0.5931 C.2 1 noname 0.1138 17 C13 13.6161 -8.9066 0.5381 C.2 1 noname 0.0503 18 N2 13.9161 -6.5234 0.6331 N.2 1 noname -0.2184 19 C14 15.0072 -9.0655 0.5242 C.2 1 noname 0.0912 20 C15 15.2642 -6.6994 0.6182 C.2 1 noname 0.0635 21 N3 15.7871 -7.9544 0.5652 N.2 1 noname -0.2174 22 N4 15.5672 -10.2796 0.4732 N.3 1 noname -0.0997 23 H1 7.9790 -10.6880 -0.6821 H 1 noname 0.0645 24 H2 4.7058 -8.1539 1.8280 H 1 noname 0.0638 25 H3 6.9849 -7.4668 1.8380 H 1 noname 0.0629 26 H4 8.7160 -6.5026 0.6591 H 1 noname 0.0846 27 H5 9.9461 -10.5468 0.5011 H 1 noname 0.0658 28 H6 15.8831 -5.8893 0.6482 H 1 noname 0.1062 29 H7 15.0081 -11.0715 0.4463 H 1 noname 0.1258 30 H8 16.5332 -10.3655 0.4653 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 6 8 2 9 6 24 1 10 7 9 1 11 7 8 1 12 8 25 1 13 9 10 2 14 9 11 1 15 10 12 1 16 10 26 1 17 11 13 2 18 11 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