@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443648 41 45 1 SMALL USER_CHARGES @ATOM 1 F1 10.6925 -2.8843 -1.1355 F 1 noname -0.1269 2 C1 11.3855 -2.3493 -0.1696 C.2 1 noname 0.0899 3 N1 12.6563 -2.7813 0.0244 N.2 1 noname -0.2033 4 C2 10.8394 -1.3514 0.6683 C.2 1 noname 0.0393 5 C3 13.4592 -2.2972 1.0033 C.2 1 noname 0.0112 6 C4 11.6623 -0.8384 1.6923 C.2 1 noname -0.0156 7 C5 9.4605 -0.8364 0.4994 C.3 1 noname 0.0472 8 C6 12.9742 -1.3053 1.8663 C.2 1 noname -0.0294 9 N2 8.5295 -1.9042 0.6334 N.3 1 noname -0.0403 10 C7 9.3125 -0.1294 -0.8644 C.3 1 noname -0.0211 11 C8 7.1946 -1.7302 0.6514 C.2 1 noname 0.1564 12 C9 8.6794 1.2625 -0.9434 C.3 1 noname -0.0483 13 C10 10.1684 1.0855 -1.2383 C.3 1 noname -0.0483 14 O1 6.5386 -0.5552 0.5515 O.3 1 noname -0.3196 15 N3 6.3156 -2.7331 0.7745 N.2 1 noname -0.1356 16 C11 5.2336 -0.8952 0.6185 C.2 1 noname 0.1130 17 N4 5.1267 -2.2271 0.7545 N.2 1 noname -0.1261 18 C12 4.1477 -0.0082 0.5556 C.2 1 noname 0.0057 19 C13 4.1656 1.3777 0.4216 C.2 1 noname 0.0020 20 C14 2.7967 -0.3571 0.6136 C.2 1 noname -0.0618 21 C15 2.8437 1.8137 0.4007 C.2 1 noname 0.0650 22 C16 5.2065 2.3157 0.3167 C.2 1 noname -0.0246 23 N5 2.0387 0.7498 0.5187 N.3 1 noname -0.0016 24 N6 2.5337 3.1266 0.2767 N.2 1 noname -0.2522 25 C17 4.8735 3.6776 0.1867 C.2 1 noname -0.0520 26 C18 3.5166 4.0626 0.1688 C.2 1 noname -0.0029 27 H1 14.4091 -2.6532 1.1104 H 1 noname 0.0840 28 H2 11.3043 -0.1154 2.3173 H 1 noname 0.0628 29 H3 9.2485 -0.1034 1.2823 H 1 noname 0.0525 30 H4 13.5651 -0.9303 2.6093 H 1 noname 0.0638 31 H5 8.8705 -2.8081 0.7244 H 1 noname 0.1324 32 H6 9.0924 -0.8593 -1.6443 H 1 noname 0.0322 33 H7 7.9814 1.4985 -1.7463 H 1 noname 0.0270 34 H8 8.3834 1.7874 -0.0354 H 1 noname 0.0270 35 H9 10.5393 1.1945 -2.2572 H 1 noname 0.0270 36 H10 10.9113 1.4715 -0.5393 H 1 noname 0.0270 37 H11 2.4347 -1.3070 0.7126 H 1 noname 0.0797 38 H12 6.1814 2.0217 0.3357 H 1 noname 0.0630 39 H13 1.0698 0.7758 0.5327 H 1 noname 0.1537 40 H14 5.6084 4.3816 0.1078 H 1 noname 0.0639 41 H15 3.2685 5.0476 0.0759 H 1 noname 0.0839 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 8 2 8 5 27 1 9 6 8 1 10 6 28 1 11 7 9 1 12 7 10 1 13 7 29 1 14 8 30 1 15 9 11 1 16 9 31 1 17 10 12 1 18 10 13 1 19 10 32 1 20 11 14 1 21 11 15 2 22 12 13 1 23 12 33 1 24 12 34 1 25 13 35 1 26 13 36 1 27 14 16 1 28 15 17 1 29 16 18 1 30 16 17 2 31 18 19 1 32 18 20 2 33 19 21 2 34 19 22 1 35 20 23 1 36 20 37 1 37 21 24 1 38 21 23 1 39 22 25 2 40 22 38 1 41 23 39 1 42 24 26 2 43 25 26 1 44 25 40 1 45 26 41 1 @SUBSTRUCTURE 1 noname 1