@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446319 60 64 1 SMALL USER_CHARGES @ATOM 1 F1 10.3384 -11.7702 2.7556 F 1 noname -0.2410 2 C1 10.7643 -13.0571 2.9987 C.3 1 noname 0.1368 3 C2 9.8403 -13.7171 4.0397 C.3 1 noname -0.0039 4 C3 12.2033 -13.0271 3.5517 C.3 1 noname -0.0039 5 C4 10.7243 -13.8290 1.6658 C.3 1 noname 0.0877 6 C5 9.9613 -13.0160 5.4017 C.3 1 noname -0.0017 7 C6 12.2422 -12.3610 4.9367 C.3 1 noname -0.0017 8 O1 11.0872 -15.2009 1.8588 O.3 1 noname -0.2620 9 N1 11.3532 -13.0690 5.8707 N.3 1 noname -0.3164 10 C7 11.2542 -16.0099 0.7739 C.2 1 noname 0.0398 11 C8 10.4792 -17.1798 0.6389 C.2 1 noname 0.0293 12 C9 12.2261 -15.7088 -0.2000 C.2 1 noname -0.0181 13 N2 9.5362 -17.5007 1.5600 N.2 1 noname -0.2198 14 C10 10.6701 -18.0367 -0.4739 C.2 1 noname 0.0234 15 C11 12.4151 -16.5548 -1.3049 C.2 1 noname -0.0463 16 C12 8.7431 -18.6037 1.5080 C.2 1 noname 0.0109 17 C13 9.8751 -19.1916 -0.5709 C.2 1 noname -0.0327 18 C14 11.6391 -17.7167 -1.4448 C.2 1 noname -0.0455 19 C15 7.7851 -18.8326 2.5340 C.2 1 noname -0.0584 20 C16 8.9151 -19.4796 0.4131 C.2 1 noname -0.0120 21 N3 7.4981 -18.0736 3.6171 N.3 1 noname -0.1051 22 C17 6.9241 -19.9305 2.6211 C.2 1 noname 0.0334 23 C18 6.5181 -18.6975 4.3091 C.2 1 noname 0.0129 24 C19 8.0200 -16.8865 4.0361 C.2 1 noname -0.0634 25 N4 6.1521 -19.8395 3.7131 N.2 1 noname -0.2185 26 C20 5.9941 -18.1595 5.4931 C.2 1 noname 0.0276 27 C21 7.5360 -16.2965 5.2171 C.2 1 noname -0.0170 28 C22 6.5160 -16.9374 5.9531 C.2 1 noname 0.0526 29 O2 5.9890 -16.4304 7.1071 O.3 1 noname -0.2656 30 C23 6.4399 -15.1974 7.6762 C.3 1 noname 0.0768 31 C24 5.6359 -14.9064 8.9472 C.3 1 noname 0.0703 32 O3 6.0758 -13.6723 9.5082 O.3 1 noname -0.3821 33 C25 5.4118 -13.2373 10.6903 C.3 1 noname 0.0357 34 H1 10.1333 -14.7600 4.1647 H 1 noname 0.0313 35 H2 8.8053 -13.6760 3.6967 H 1 noname 0.0313 36 H3 12.8502 -12.4770 2.8678 H 1 noname 0.0313 37 H4 12.5762 -14.0480 3.6437 H 1 noname 0.0313 38 H5 11.4112 -13.3450 0.9688 H 1 noname 0.0605 39 H6 9.7143 -13.7820 1.2528 H 1 noname 0.0605 40 H7 9.6332 -11.9790 5.3177 H 1 noname 0.0429 41 H8 9.3252 -13.5280 6.1237 H 1 noname 0.0429 42 H9 13.2621 -12.4010 5.3207 H 1 noname 0.0429 43 H10 11.9392 -11.3170 4.8537 H 1 noname 0.0429 44 H11 11.3892 -12.5630 6.7597 H 1 noname 0.1222 45 H12 12.8031 -14.8728 -0.1019 H 1 noname 0.0650 46 H13 13.1210 -16.3267 -2.0058 H 1 noname 0.0623 47 H14 9.9881 -19.8316 -1.3588 H 1 noname 0.0630 48 H15 11.7860 -18.3256 -2.2518 H 1 noname 0.0629 49 H16 8.3511 -20.3235 0.3171 H 1 noname 0.0646 50 H17 6.8781 -20.7024 1.9562 H 1 noname 0.0861 51 H18 8.7530 -16.4135 3.5132 H 1 noname 0.0797 52 H19 5.2550 -18.6414 6.0051 H 1 noname 0.0687 53 H20 7.9260 -15.4095 5.5322 H 1 noname 0.0663 54 H21 6.2889 -14.3794 6.9703 H 1 noname 0.0596 55 H22 7.4978 -15.2663 7.9352 H 1 noname 0.0596 56 H23 4.5769 -14.8403 8.6943 H 1 noname 0.0590 57 H24 5.7878 -15.7143 9.6643 H 1 noname 0.0590 58 H25 5.8408 -12.2893 11.0143 H 1 noname 0.0529 59 H26 4.3488 -13.0983 10.4883 H 1 noname 0.0529 60 H27 5.5377 -13.9773 11.4813 H 1 noname 0.0529 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 34 1 7 3 35 1 8 4 7 1 9 4 36 1 10 4 37 1 11 5 8 1 12 5 38 1 13 5 39 1 14 6 9 1 15 6 40 1 16 6 41 1 17 7 9 1 18 7 42 1 19 7 43 1 20 8 10 1 21 9 44 1 22 10 11 1 23 10 12 2 24 11 13 2 25 11 14 1 26 12 15 1 27 12 45 1 28 13 16 1 29 14 17 2 30 14 18 1 31 15 18 2 32 15 46 1 33 16 19 1 34 16 20 2 35 17 20 1 36 17 47 1 37 18 48 1 38 19 21 1 39 19 22 2 40 20 49 1 41 21 23 1 42 21 24 1 43 22 25 1 44 22 50 1 45 23 26 1 46 23 25 2 47 24 27 2 48 24 51 1 49 26 28 2 50 26 52 1 51 27 28 1 52 27 53 1 53 28 29 1 54 29 30 1 55 30 31 1 56 30 54 1 57 30 55 1 58 31 32 1 59 31 56 1 60 31 57 1 61 32 33 1 62 33 58 1 63 33 59 1 64 33 60 1 @SUBSTRUCTURE 1 noname 1