@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447085 48 51 1 SMALL USER_CHARGES @ATOM 1 F1 26.2638 -13.6048 3.5214 F 1 noname -0.1661 2 C1 26.4228 -14.6727 2.6734 C.3 1 noname 0.4164 3 F2 27.0647 -15.6497 3.3964 F 1 noname -0.1661 4 F3 27.2647 -14.2537 1.6704 F 1 noname -0.1661 5 C2 25.1657 -15.2157 2.0874 C.2 1 noname 0.0029 6 C3 23.8717 -14.6936 2.3355 C.2 1 noname 0.0066 7 C4 25.2537 -16.3276 1.2165 C.2 1 noname -0.0254 8 C5 22.7226 -15.2466 1.7595 C.2 1 noname -0.0060 9 C6 23.5067 -13.5576 3.1755 C.3 1 noname -0.0120 10 C7 24.1086 -16.8896 0.6255 C.2 1 noname -0.0438 11 N1 21.6136 -14.5696 2.1586 N.3 1 noname -0.1283 12 C8 22.8396 -16.3516 0.8936 C.2 1 noname -0.0309 13 C9 21.9796 -13.4806 3.0066 C.3 1 noname 0.0150 14 C10 20.3056 -14.8526 1.8516 C.2 1 noname 0.1367 15 O1 19.9905 -15.8365 1.1467 O.2 1 noname -0.2721 16 C11 19.1855 -14.0365 2.3517 C.3 1 noname 0.0751 17 C12 19.1105 -12.7485 1.6557 C.2 1 noname -0.0081 18 N2 19.2775 -11.6234 2.3208 N.2 1 noname -0.2268 19 N3 18.8685 -12.6944 0.3188 N.3 1 noname 0.0400 20 C13 19.2384 -10.4014 1.7798 C.2 1 noname -0.0239 21 C14 18.8044 -11.5004 -0.3231 C.2 1 noname 0.0583 22 N4 19.4444 -9.3154 2.6028 N.3 1 noname -0.1067 23 C15 18.9914 -10.3083 0.3989 C.2 1 noname 0.0684 24 O2 18.5824 -11.4704 -1.5520 O.2 1 noname -0.2904 25 C16 19.4233 -7.9443 2.1759 C.3 1 noname 0.0281 26 C17 19.7013 -9.4713 4.0069 C.3 1 noname 0.0281 27 C18 18.3502 -7.1823 2.9699 C.3 1 noname 0.0599 28 C19 18.6313 -8.7143 4.8090 C.3 1 noname 0.0599 29 O3 18.5762 -7.3593 4.3669 O.3 1 noname -0.3786 30 H1 26.1666 -16.7346 1.0086 H 1 noname 0.0628 31 H2 23.9746 -12.6395 2.8186 H 1 noname 0.0330 32 H3 23.7666 -13.7446 4.2186 H 1 noname 0.0330 33 H4 24.2006 -17.6896 -0.0003 H 1 noname 0.0623 34 H5 22.0196 -16.7685 0.4546 H 1 noname 0.0639 35 H6 21.4996 -13.5685 3.9826 H 1 noname 0.0443 36 H7 21.7166 -12.5265 2.5486 H 1 noname 0.0443 37 H8 19.2995 -13.8835 3.4257 H 1 noname 0.0438 38 H9 18.2465 -14.5655 2.1837 H 1 noname 0.0438 39 H10 18.7414 -13.5144 -0.1821 H 1 noname 0.1386 40 H11 18.9463 -9.4163 -0.0890 H 1 noname 0.0708 41 H12 20.3962 -7.4963 2.3869 H 1 noname 0.0459 42 H13 19.2173 -7.8093 1.1169 H 1 noname 0.0459 43 H14 19.7043 -10.5103 4.3369 H 1 noname 0.0459 44 H15 20.6783 -9.0423 4.2359 H 1 noname 0.0459 45 H16 18.4012 -6.1203 2.7270 H 1 noname 0.0580 46 H17 17.3632 -7.5633 2.7060 H 1 noname 0.0580 47 H18 17.6603 -9.1893 4.6600 H 1 noname 0.0580 48 H19 18.8833 -8.7403 5.8690 H 1 noname 0.0580 @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 30 1 11 8 11 1 12 8 12 2 13 9 13 1 14 9 31 1 15 9 32 1 16 10 12 1 17 10 33 1 18 11 14 1 19 11 13 1 20 12 34 1 21 13 35 1 22 13 36 1 23 14 15 2 24 14 16 1 25 16 17 1 26 16 37 1 27 16 38 1 28 17 18 2 29 17 19 1 30 18 20 1 31 19 21 1 32 19 39 1 33 20 22 1 34 20 23 2 35 21 24 2 36 21 23 1 37 22 25 1 38 22 26 1 39 23 40 1 40 25 27 1 41 25 41 1 42 25 42 1 43 26 28 1 44 26 43 1 45 26 44 1 46 27 29 1 47 27 45 1 48 27 46 1 49 28 29 1 50 28 47 1 51 28 48 1 @SUBSTRUCTURE 1 noname 1