@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439716 39 41 1 SMALL USER_CHARGES @ATOM 1 F1 13.9226 -10.8654 -6.4222 F 1 noname -0.1660 2 C1 13.8756 -10.5593 -5.0842 C.3 1 noname 0.4191 3 F2 15.1815 -10.4763 -4.6622 F 1 noname -0.1660 4 F3 13.2896 -11.6353 -4.4622 F 1 noname -0.1660 5 C2 13.1466 -9.3103 -4.7292 C.2 1 noname 0.0117 6 C3 12.5046 -8.4553 -5.6541 C.2 1 noname 0.0561 7 C4 13.0775 -8.9403 -3.3672 C.2 1 noname 0.0008 8 N1 11.8645 -7.3463 -5.2171 N.2 1 noname -0.2569 9 N2 12.4755 -8.6572 -6.9791 N.3 1 noname -0.1108 10 C5 12.4065 -7.7793 -2.9202 C.2 1 noname -0.0334 11 C6 11.7935 -6.9893 -3.9151 C.2 1 noname 0.0074 12 C7 12.3515 -7.4242 -1.5381 C.2 1 noname -0.0251 13 C8 13.4334 -7.7222 -0.6681 C.2 1 noname -0.0193 14 C9 11.2135 -6.7652 -0.9941 C.2 1 noname -0.0284 15 C10 13.3534 -7.3642 0.6868 C.2 1 noname -0.0510 16 C11 11.1444 -6.4112 0.3678 C.2 1 noname -0.0047 17 N3 14.2163 -7.5231 1.7008 N.3 1 noname -0.0113 18 C12 12.2324 -6.7221 1.1928 C.2 1 noname 0.0147 19 C13 13.6363 -6.9931 2.8009 C.2 1 noname 0.0025 20 C14 15.4972 -8.1391 1.6099 C.3 1 noname -0.0513 21 N4 12.4163 -6.4981 2.4998 N.2 1 noname -0.2084 22 N5 14.2212 -6.9751 4.0219 N.3 1 noname -0.1059 23 C15 13.6822 -6.4590 5.1509 C.2 1 noname 0.1376 24 O1 12.5471 -5.9320 5.1869 O.2 1 noname -0.2749 25 C16 14.4491 -6.5140 6.3949 C.3 1 noname 0.0099 26 H1 13.5255 -9.5522 -2.6841 H 1 noname 0.0637 27 H2 12.0115 -8.0212 -7.5460 H 1 noname 0.1258 28 H3 12.9094 -9.4252 -7.3780 H 1 noname 0.1258 29 H4 11.2995 -6.1293 -3.6701 H 1 noname 0.0846 30 H5 14.2774 -8.1831 -1.0110 H 1 noname 0.0649 31 H6 10.4124 -6.5452 -1.5871 H 1 noname 0.0629 32 H7 10.3214 -5.9411 0.7458 H 1 noname 0.0646 33 H8 16.1132 -7.5961 0.8909 H 1 noname 0.0437 34 H9 15.3822 -9.1710 1.2729 H 1 noname 0.0437 35 H10 16.0072 -8.1420 2.5729 H 1 noname 0.0437 36 H11 15.1051 -7.3650 4.0939 H 1 noname 0.1399 37 H12 15.4140 -6.9940 6.2279 H 1 noname 0.0324 38 H13 14.6100 -5.5010 6.7639 H 1 noname 0.0324 39 H14 13.8901 -7.0829 7.1389 H 1 noname 0.0324 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 7 26 1 11 8 11 2 12 9 27 1 13 9 28 1 14 10 12 1 15 10 11 1 16 11 29 1 17 12 13 2 18 12 14 1 19 13 15 1 20 13 30 1 21 14 16 2 22 14 31 1 23 15 17 1 24 15 18 2 25 16 18 1 26 16 32 1 27 17 19 1 28 17 20 1 29 18 21 1 30 19 22 1 31 19 21 2 32 20 33 1 33 20 34 1 34 20 35 1 35 22 23 1 36 22 36 1 37 23 24 2 38 23 25 1 39 25 37 1 40 25 38 1 41 25 39 1 @SUBSTRUCTURE 1 noname 1