@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448117 40 41 1 SMALL USER_CHARGES @ATOM 1 F1 25.5914 -16.7177 0.8658 F 1 noname -0.1659 2 C1 25.8023 -18.0757 0.9309 C.3 1 noname 0.4206 3 F2 26.3983 -18.3297 2.1419 F 1 noname -0.1659 4 F3 26.6913 -18.3887 -0.0690 F 1 noname -0.1659 5 C2 24.5672 -18.8867 0.7879 C.2 1 noname 0.0101 6 C3 24.6002 -20.2967 0.8290 C.2 1 noname 0.0697 7 C4 23.2971 -18.3037 0.6040 C.2 1 noname 0.0404 8 N1 23.4551 -21.0067 0.6940 N.2 1 noname -0.2306 9 N2 25.7672 -20.9597 1.0030 N.3 1 noname -0.0991 10 N3 22.1891 -19.0706 0.4780 N.2 1 noname -0.2542 11 C5 22.2471 -20.4196 0.5231 C.2 1 noname 0.0858 12 C6 25.8491 -22.3756 1.0521 C.3 1 noname -0.0101 13 N4 21.1030 -21.1266 0.3842 N.3 1 noname 0.0440 14 C7 21.0349 -22.4765 0.4082 C.2 1 noname 0.0171 15 C8 21.3639 -23.3515 1.4393 C.2 1 noname -0.0924 16 C9 20.5649 -23.2775 -0.6147 C.2 1 noname 0.0404 17 N5 21.1149 -24.6115 0.9973 N.3 1 noname -0.0388 18 C10 21.8479 -22.9215 2.7614 C.3 1 noname 0.0163 19 N6 20.6418 -24.5534 -0.2146 N.2 1 noname -0.2989 20 C11 21.3358 -25.8605 1.6814 C.3 1 noname 0.1364 21 C12 20.5898 -25.9264 2.8365 C.1 1 noname 0.0797 22 C13 20.9208 -27.0584 0.7904 C.3 1 noname -0.0284 23 C14 22.8408 -26.0424 1.9864 C.3 1 noname -0.0284 24 N7 19.9697 -25.9784 3.8015 N.1 1 noname -0.1856 25 H1 23.1971 -17.2896 0.5630 H 1 noname 0.0848 26 H2 26.5861 -20.4486 1.1001 H 1 noname 0.1293 27 H3 26.8891 -22.6676 1.2011 H 1 noname 0.0396 28 H4 25.2501 -22.7586 1.8792 H 1 noname 0.0396 29 H5 25.4891 -22.8046 0.1161 H 1 noname 0.0396 30 H6 20.2880 -20.6315 0.2122 H 1 noname 0.1374 31 H7 20.2268 -22.9544 -1.5216 H 1 noname 0.0874 32 H8 21.9038 -23.7534 3.4574 H 1 noname 0.0294 33 H9 22.8388 -22.4804 2.6654 H 1 noname 0.0294 34 H10 21.1638 -22.1774 3.1714 H 1 noname 0.0294 35 H11 21.1008 -28.0044 1.3064 H 1 noname 0.0264 36 H12 21.5078 -27.0494 -0.1294 H 1 noname 0.0264 37 H13 19.8627 -26.9924 0.5285 H 1 noname 0.0264 38 H14 23.4058 -25.9814 1.0554 H 1 noname 0.0264 39 H15 23.0208 -27.0194 2.4395 H 1 noname 0.0264 40 H16 23.2078 -25.2714 2.6625 H 1 noname 0.0264 @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 25 1 11 8 11 2 12 9 12 1 13 9 26 1 14 10 11 1 15 11 13 1 16 12 27 1 17 12 28 1 18 12 29 1 19 13 14 1 20 13 30 1 21 14 15 2 22 14 16 1 23 15 17 1 24 15 18 1 25 16 19 2 26 16 31 1 27 17 20 1 28 17 19 1 29 18 32 1 30 18 33 1 31 18 34 1 32 20 21 1 33 20 22 1 34 20 23 1 35 21 24 3 36 22 35 1 37 22 36 1 38 22 37 1 39 23 38 1 40 23 39 1 41 23 40 1 @SUBSTRUCTURE 1 noname 1