@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448120 52 53 1 SMALL USER_CHARGES @ATOM 1 F1 8.5245 -15.1505 0.9641 F 1 noname -0.1659 2 C1 8.7135 -16.4655 0.6042 C.3 1 noname 0.4206 3 F2 9.6975 -16.9655 1.4222 F 1 noname -0.1659 4 F3 9.1795 -16.4615 -0.6888 F 1 noname -0.1659 5 C2 7.4894 -17.2995 0.7052 C.2 1 noname 0.0102 6 C3 7.5034 -18.6715 0.3753 C.2 1 noname 0.0697 7 C4 6.2524 -16.7804 1.1363 C.2 1 noname 0.0404 8 N1 6.3693 -19.4035 0.4793 N.2 1 noname -0.2305 9 N2 8.6364 -19.2785 -0.0436 N.3 1 noname -0.0991 10 N3 5.1552 -17.5684 1.2204 N.2 1 noname -0.2542 11 C5 5.1922 -18.8794 0.8934 C.2 1 noname 0.0858 12 C6 8.6943 -20.6585 -0.3686 C.3 1 noname -0.0101 13 N4 4.0621 -19.6154 1.0095 N.3 1 noname 0.0460 14 C7 3.9580 -20.9334 0.7105 C.2 1 noname 0.0261 15 C8 3.1669 -21.8654 1.3656 C.2 1 noname 0.0436 16 C9 4.5840 -21.6573 -0.2934 C.2 1 noname -0.0986 17 N5 3.3539 -23.0634 0.7876 N.2 1 noname -0.3219 18 C10 2.2889 -21.6043 2.5067 C.3 1 noname 0.0485 19 N6 4.1970 -22.9434 -0.1953 N.3 1 noname -0.0586 20 C11 4.6410 -24.0204 -1.0353 C.3 1 noname 0.1233 21 C12 6.1160 -24.1444 -0.9543 C.2 1 noname 0.0506 22 C13 4.0109 -25.3614 -0.5892 C.3 1 noname -0.0334 23 C14 4.1679 -23.7543 -2.4833 C.3 1 noname -0.0334 24 O1 6.8219 -24.1043 -1.9873 O.2 1 noname -0.2879 25 N7 6.7000 -24.2563 0.2587 N.3 1 noname -0.0704 26 C15 8.1040 -24.3483 0.4497 C.3 1 noname 0.0084 27 C16 8.4079 -24.1333 1.9388 C.3 1 noname -0.0496 28 C17 8.6339 -25.7213 0.0058 C.3 1 noname -0.0496 29 H1 6.1693 -15.7974 1.3944 H 1 noname 0.0848 30 H2 9.4484 -18.7524 -0.1226 H 1 noname 0.1293 31 H3 8.0093 -20.8824 -1.1886 H 1 noname 0.0396 32 H4 8.4243 -21.2585 0.5014 H 1 noname 0.0396 33 H5 9.7093 -20.9135 -0.6746 H 1 noname 0.0396 34 H6 3.2790 -19.1743 1.3725 H 1 noname 0.1374 35 H7 5.2400 -21.2833 -0.9804 H 1 noname 0.0826 36 H8 1.8028 -22.5303 2.8157 H 1 noname 0.0297 37 H9 2.8749 -21.2123 3.3387 H 1 noname 0.0297 38 H10 1.5268 -20.8763 2.2257 H 1 noname 0.0297 39 H11 4.3558 -26.1734 -1.2302 H 1 noname 0.0258 40 H12 2.9238 -25.2974 -0.6572 H 1 noname 0.0258 41 H13 4.2839 -25.5833 0.4447 H 1 noname 0.0258 42 H14 3.0828 -23.6442 -2.5003 H 1 noname 0.0258 43 H15 4.4499 -24.5863 -3.1303 H 1 noname 0.0258 44 H16 4.6209 -22.8392 -2.8683 H 1 noname 0.0258 45 H17 6.1269 -24.2353 1.0408 H 1 noname 0.1313 46 H18 8.6099 -23.5662 -0.1201 H 1 noname 0.0463 47 H19 9.4850 -24.1782 2.1039 H 1 noname 0.0246 48 H20 8.0419 -23.1542 2.2499 H 1 noname 0.0246 49 H21 7.9209 -24.9063 2.5349 H 1 noname 0.0246 50 H22 9.7069 -25.7772 0.1928 H 1 noname 0.0246 51 H23 8.1299 -26.5113 0.5628 H 1 noname 0.0246 52 H24 8.4539 -25.8623 -1.0601 H 1 noname 0.0246 @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 29 1 11 8 11 2 12 9 12 1 13 9 30 1 14 10 11 1 15 11 13 1 16 12 31 1 17 12 32 1 18 12 33 1 19 13 14 1 20 13 34 1 21 14 15 1 22 14 16 2 23 15 17 2 24 15 18 1 25 16 19 1 26 16 35 1 27 17 19 1 28 18 36 1 29 18 37 1 30 18 38 1 31 19 20 1 32 20 21 1 33 20 22 1 34 20 23 1 35 21 24 2 36 21 25 1 37 22 39 1 38 22 40 1 39 22 41 1 40 23 42 1 41 23 43 1 42 23 44 1 43 25 26 1 44 25 45 1 45 26 27 1 46 26 28 1 47 26 46 1 48 27 47 1 49 27 48 1 50 27 49 1 51 28 50 1 52 28 51 1 53 28 52 1 @SUBSTRUCTURE 1 noname 1