@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448122 46 47 1 SMALL USER_CHARGES @ATOM 1 F1 21.8224 -7.2371 0.5219 F 1 noname -0.1659 2 C1 21.9943 -8.6020 0.5390 C.3 1 noname 0.4206 3 F2 22.7282 -8.8970 1.6629 F 1 noname -0.1659 4 F3 22.7402 -8.9250 -0.5678 F 1 noname -0.1659 5 C2 20.7234 -9.3709 0.5420 C.2 1 noname 0.0102 6 C3 20.7143 -10.7818 0.5620 C.2 1 noname 0.0697 7 C4 19.4614 -8.7439 0.5250 C.2 1 noname 0.0404 8 N1 19.5373 -11.4517 0.5661 N.2 1 noname -0.2305 9 N2 21.8682 -11.4868 0.5731 N.3 1 noname -0.0991 10 N3 18.3203 -9.4719 0.5280 N.2 1 noname -0.2542 11 C5 18.3383 -10.8227 0.5491 C.2 1 noname 0.0858 12 C6 21.9052 -12.9057 0.5851 C.3 1 noname -0.0101 13 N4 17.1683 -11.4996 0.5491 N.3 1 noname 0.0460 14 C7 17.1083 -12.8475 0.5732 C.2 1 noname 0.0261 15 C8 17.2112 -13.6854 1.6732 C.2 1 noname 0.0436 16 C9 16.9922 -13.6954 -0.5137 C.2 1 noname -0.0986 17 N5 17.1742 -14.9543 1.2362 N.2 1 noname -0.3219 18 C10 17.3681 -13.2684 3.0672 C.3 1 noname 0.0485 19 N6 17.0521 -14.9633 -0.0586 N.3 1 noname -0.0586 20 C11 17.0301 -16.1483 -0.8695 C.3 1 noname 0.1233 21 C12 18.2140 -16.1412 -1.7615 C.2 1 noname 0.0490 22 C13 17.0831 -17.4202 0.0094 C.3 1 noname -0.0334 23 C14 15.7051 -16.2022 -1.6645 C.3 1 noname -0.0334 24 O1 18.0830 -16.2062 -3.0054 O.2 1 noname -0.2884 25 N7 19.4459 -16.0272 -1.2174 N.3 1 noname -0.0745 26 C15 20.6298 -15.9671 -1.9944 C.3 1 noname -0.0088 27 H1 19.3923 -7.7260 0.5080 H 1 noname 0.0848 28 H2 22.7111 -11.0048 0.5701 H 1 noname 0.1293 29 H3 22.9441 -13.2356 0.5922 H 1 noname 0.0396 30 H4 21.4051 -13.2856 1.4771 H 1 noname 0.0396 31 H5 21.4112 -13.3016 -0.3037 H 1 noname 0.0396 32 H6 16.3413 -10.9966 0.5202 H 1 noname 0.1374 33 H7 16.9182 -13.4084 -1.4896 H 1 noname 0.0826 34 H8 17.4301 -14.1474 3.7102 H 1 noname 0.0297 35 H9 18.2801 -12.6814 3.1732 H 1 noname 0.0297 36 H10 16.5111 -12.6644 3.3672 H 1 noname 0.0297 37 H11 17.0720 -18.3131 -0.6185 H 1 noname 0.0258 38 H12 16.2171 -17.4451 0.6714 H 1 noname 0.0258 39 H13 17.9890 -17.4262 0.6184 H 1 noname 0.0258 40 H14 14.8621 -16.1782 -0.9725 H 1 noname 0.0258 41 H15 15.6561 -17.1221 -2.2494 H 1 noname 0.0258 42 H16 15.6311 -15.3512 -2.3424 H 1 noname 0.0258 43 H17 19.5168 -15.9682 -0.2515 H 1 noname 0.1307 44 H18 21.4887 -15.8681 -1.3303 H 1 noname 0.0396 45 H19 20.7367 -16.8791 -2.5843 H 1 noname 0.0396 46 H20 20.5948 -15.1051 -2.6613 H 1 noname 0.0396 @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 27 1 11 8 11 2 12 9 12 1 13 9 28 1 14 10 11 1 15 11 13 1 16 12 29 1 17 12 30 1 18 12 31 1 19 13 14 1 20 13 32 1 21 14 15 1 22 14 16 2 23 15 17 2 24 15 18 1 25 16 19 1 26 16 33 1 27 17 19 1 28 18 34 1 29 18 35 1 30 18 36 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 37 1 38 22 38 1 39 22 39 1 40 23 40 1 41 23 41 1 42 23 42 1 43 25 26 1 44 25 43 1 45 26 44 1 46 26 45 1 47 26 46 1 @SUBSTRUCTURE 1 noname 1