@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446265 56 60 1 SMALL USER_CHARGES @ATOM 1 F1 19.3226 -11.6847 0.6080 F 1 noname -0.1587 2 C1 19.0116 -10.4187 0.6700 C.2 1 noname 0.0471 3 C2 18.7475 -9.7986 1.9071 C.2 1 noname 0.0381 4 C3 18.9375 -9.6736 -0.5178 C.2 1 noname 0.0076 5 N1 18.7925 -10.5356 3.0431 N.3 1 noname -0.1118 6 C4 18.3855 -8.4375 1.9391 C.2 1 noname 0.0130 7 C5 18.5795 -8.3166 -0.4748 C.2 1 noname -0.0128 8 C6 19.6715 -10.3505 4.0632 C.2 1 noname 0.1217 9 C7 18.2885 -7.6775 0.7511 C.2 1 noname -0.0068 10 O1 20.4674 -9.3845 4.0562 O.2 1 noname -0.2542 11 N2 19.7495 -11.1795 5.1362 N.3 1 noname -0.1255 12 C8 17.8784 -6.2494 0.7482 C.3 1 noname 0.4161 13 C9 19.0234 -12.3054 5.3783 C.2 1 noname -0.0158 14 F2 17.6194 -5.7374 1.9992 F 1 noname -0.1661 15 F3 18.8644 -5.4714 0.1912 F 1 noname -0.1661 16 F4 16.7304 -6.0934 0.0082 F 1 noname -0.1661 17 C10 18.5753 -13.1854 4.3693 C.2 1 noname -0.0166 18 C11 18.7494 -12.6264 6.7213 C.2 1 noname -0.0298 19 C12 17.7973 -14.3234 4.6703 C.2 1 noname -0.0309 20 C13 18.0223 -13.7834 7.0454 C.2 1 noname -0.0483 21 C14 17.2722 -15.1323 3.6334 C.2 1 noname -0.0148 22 C15 17.5463 -14.6253 6.0264 C.2 1 noname -0.0424 23 C16 16.7492 -14.7283 2.4024 C.2 1 noname -0.0020 24 C17 17.1412 -16.5253 3.6384 C.2 1 noname -0.1058 25 C18 16.3541 -15.8672 1.7134 C.2 1 noname 0.0590 26 C19 16.5441 -13.4662 1.8184 C.2 1 noname -0.0190 27 N3 16.6022 -16.9382 2.4775 N.3 1 noname -0.0436 28 N4 15.8011 -15.7862 0.4815 N.2 1 noname -0.2517 29 C20 15.9621 -13.3652 0.5305 C.2 1 noname -0.0368 30 C21 15.6070 -14.5791 -0.1164 C.2 1 noname 0.0041 31 C22 15.7420 -12.0941 -0.0814 C.2 1 noname -0.0724 32 C23 15.8560 -11.9231 -1.4823 C.2 1 noname -0.0482 33 C24 15.4110 -10.9561 0.6945 C.2 1 noname -0.0482 34 C25 15.6570 -10.6670 -2.0813 C.2 1 noname -0.0657 35 C26 15.2120 -9.6990 0.0996 C.2 1 noname -0.0657 36 C27 15.3369 -9.5510 -1.2903 C.2 1 noname -0.0327 37 N5 15.1629 -8.3469 -1.8582 N.3 1 noname -0.1555 38 H1 19.1305 -10.1176 -1.4168 H 1 noname 0.0654 39 H2 18.2005 -11.2985 3.0922 H 1 noname 0.1386 40 H3 18.1785 -8.0025 2.8391 H 1 noname 0.0646 41 H4 18.5154 -7.7915 -1.3477 H 1 noname 0.0629 42 H5 20.3814 -10.9184 5.8243 H 1 noname 0.1385 43 H6 18.8283 -12.9973 3.3993 H 1 noname 0.0645 44 H7 19.0793 -12.0163 7.4694 H 1 noname 0.0639 45 H8 17.8292 -14.0063 8.0224 H 1 noname 0.0623 46 H9 16.9983 -15.4483 6.2824 H 1 noname 0.0629 47 H10 17.4232 -17.1422 4.4015 H 1 noname 0.0796 48 H11 16.8171 -12.6272 2.3285 H 1 noname 0.0637 49 H12 16.4151 -17.8582 2.2355 H 1 noname 0.1537 50 H13 15.1770 -14.5631 -1.0414 H 1 noname 0.0846 51 H14 16.1030 -12.7120 -2.0813 H 1 noname 0.0629 52 H15 15.3080 -11.0310 1.7076 H 1 noname 0.0629 53 H16 15.7539 -10.5680 -3.0923 H 1 noname 0.0639 54 H17 14.9809 -8.8940 0.6826 H 1 noname 0.0639 55 H18 14.9728 -7.5729 -1.3052 H 1 noname 0.1242 56 H19 15.2338 -8.2479 -2.8202 H 1 noname 0.1242 @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 38 1 8 5 8 1 9 5 39 1 10 6 9 2 11 6 40 1 12 7 9 1 13 7 41 1 14 8 10 2 15 8 11 1 16 9 12 1 17 11 13 1 18 11 42 1 19 12 14 1 20 12 15 1 21 12 16 1 22 13 17 2 23 13 18 1 24 17 19 1 25 17 43 1 26 18 20 2 27 18 44 1 28 19 21 1 29 19 22 2 30 20 22 1 31 20 45 1 32 21 23 1 33 21 24 2 34 22 46 1 35 23 25 2 36 23 26 1 37 24 27 1 38 24 47 1 39 25 28 1 40 25 27 1 41 26 29 2 42 26 48 1 43 27 49 1 44 28 30 2 45 29 31 1 46 29 30 1 47 30 50 1 48 31 32 2 49 31 33 1 50 32 34 1 51 32 51 1 52 33 35 2 53 33 52 1 54 34 36 2 55 34 53 1 56 35 36 1 57 35 54 1 58 36 37 1 59 37 55 1 60 37 56 1 @SUBSTRUCTURE 1 noname 1