@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448111 53 56 1 SMALL USER_CHARGES @ATOM 1 F1 14.5347 -0.6212 3.1087 F 1 noname -0.1659 2 C1 14.6887 -1.9492 2.7847 C.3 1 noname 0.4206 3 F2 14.8106 -2.6362 3.9688 F 1 noname -0.1659 4 F3 15.8726 -2.0551 2.0948 F 1 noname -0.1659 5 C2 13.5736 -2.5092 1.9798 C.2 1 noname 0.0102 6 C3 13.5705 -3.8562 1.5588 C.2 1 noname 0.0697 7 C4 12.4625 -1.7351 1.5868 C.2 1 noname 0.0404 8 N1 12.5394 -4.3331 0.8228 N.2 1 noname -0.2305 9 N2 14.5885 -4.6872 1.8778 N.3 1 noname -0.0991 10 N3 11.4624 -2.2731 0.8498 N.2 1 noname -0.2542 11 C5 11.4833 -3.5661 0.4588 C.2 1 noname 0.0858 12 C6 14.6314 -6.0462 1.4709 C.3 1 noname -0.0101 13 N4 10.4612 -4.0500 -0.2821 N.3 1 noname 0.0460 14 C7 10.4212 -5.3280 -0.7150 C.2 1 noname 0.0254 15 C8 9.9721 -6.4440 -0.0260 C.2 1 noname 0.0430 16 C9 10.8922 -5.8140 -1.9210 C.2 1 noname -0.1011 17 N5 10.1961 -7.5230 -0.7940 N.2 1 noname -0.3243 18 C10 9.3871 -6.4610 1.3150 C.3 1 noname 0.0484 19 N6 10.7532 -7.1530 -1.9080 N.3 1 noname -0.0621 20 C11 11.1821 -8.0240 -2.9610 C.3 1 noname -0.0108 21 C12 10.8940 -9.5220 -2.7099 C.3 1 noname 0.1332 22 C13 12.6991 -7.8869 -3.2019 C.3 1 noname -0.0168 23 F4 9.5580 -9.7409 -2.4679 F 1 noname -0.2437 24 C14 11.7500 -10.0780 -1.5549 C.3 1 noname 0.0320 25 C15 13.4801 -8.4279 -1.9959 C.3 1 noname 0.0008 26 N7 13.1900 -9.8629 -1.8118 N.3 1 noname -0.2927 27 C16 13.9780 -10.3819 -0.6778 C.3 1 noname 0.0566 28 C17 14.0159 -11.8999 -0.4847 C.3 1 noname 0.0646 29 C18 15.4920 -10.4909 -0.8677 C.3 1 noname 0.0646 30 O1 15.4389 -11.8589 -0.4797 O.3 1 noname -0.3778 31 H1 12.3984 -0.7530 1.8549 H 1 noname 0.0848 32 H2 15.3245 -4.3421 2.4069 H 1 noname 0.1293 33 H3 14.6244 -6.1122 0.3819 H 1 noname 0.0396 34 H4 13.7713 -6.5862 1.8720 H 1 noname 0.0396 35 H5 15.5464 -6.5032 1.8489 H 1 noname 0.0396 36 H6 9.7372 -3.4520 -0.5210 H 1 noname 0.1374 37 H7 11.3132 -5.2589 -2.6660 H 1 noname 0.0826 38 H8 9.1390 -7.4850 1.5950 H 1 noname 0.0297 39 H9 10.1040 -6.0569 2.0310 H 1 noname 0.0297 40 H10 8.4809 -5.8559 1.3281 H 1 noname 0.0297 41 H11 10.6630 -7.7319 -3.8750 H 1 noname 0.0558 42 H12 11.1560 -10.0730 -3.6139 H 1 noname 0.0695 43 H13 12.9761 -8.4589 -4.0889 H 1 noname 0.0300 44 H14 12.9641 -6.8429 -3.3689 H 1 noname 0.0300 45 H15 11.5590 -11.1490 -1.4728 H 1 noname 0.0461 46 H16 11.4660 -9.6059 -0.6148 H 1 noname 0.0461 47 H17 13.2080 -7.8648 -1.0998 H 1 noname 0.0431 48 H18 14.5451 -8.2899 -2.1868 H 1 noname 0.0431 49 H19 13.7049 -9.8458 0.2342 H 1 noname 0.0515 50 H20 13.5559 -12.2669 0.4323 H 1 noname 0.0583 51 H21 13.5998 -12.4729 -1.3147 H 1 noname 0.0583 52 H22 16.0920 -9.8458 -0.2236 H 1 noname 0.0583 53 H23 15.8330 -10.3418 -1.8927 H 1 noname 0.0583 @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 31 1 11 8 11 2 12 9 12 1 13 9 32 1 14 10 11 1 15 11 13 1 16 12 33 1 17 12 34 1 18 12 35 1 19 13 14 1 20 13 36 1 21 14 15 1 22 14 16 2 23 15 17 2 24 15 18 1 25 16 19 1 26 16 37 1 27 17 19 1 28 18 38 1 29 18 39 1 30 18 40 1 31 19 20 1 32 20 21 1 33 20 22 1 34 20 41 1 35 21 23 1 36 21 24 1 37 21 42 1 38 22 25 1 39 22 43 1 40 22 44 1 41 24 26 1 42 24 45 1 43 24 46 1 44 25 26 1 45 25 47 1 46 25 48 1 47 26 27 1 48 27 28 1 49 27 29 1 50 27 49 1 51 28 30 1 52 28 50 1 53 28 51 1 54 29 30 1 55 29 52 1 56 29 53 1 @SUBSTRUCTURE 1 noname 1