@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448116 38 40 1 SMALL USER_CHARGES @ATOM 1 F1 21.4095 -17.1896 2.9519 F 1 noname -0.1659 2 C1 21.5554 -18.5457 2.7740 C.3 1 noname 0.4206 3 F2 21.7064 -19.0987 4.0231 F 1 noname -0.1659 4 F3 22.7215 -18.7316 2.0709 F 1 noname -0.1659 5 C2 20.4203 -19.1887 2.0640 C.2 1 noname 0.0102 6 C3 20.4053 -20.5738 1.7940 C.2 1 noname 0.0697 7 C4 19.2962 -18.4606 1.6240 C.2 1 noname 0.0404 8 N1 19.3511 -21.1288 1.1470 N.2 1 noname -0.2305 9 N2 21.4353 -21.3638 2.1741 N.3 1 noname -0.0991 10 N3 18.2761 -19.0756 0.9820 N.2 1 noname -0.2542 11 C5 18.2860 -20.4037 0.7320 C.2 1 noname 0.0858 12 C6 21.4723 -22.7588 1.9221 C.3 1 noname -0.0101 13 N4 17.2269 -20.9497 0.0950 N.3 1 noname 0.0461 14 C7 17.1069 -22.2607 -0.2159 C.2 1 noname 0.0266 15 C8 17.9259 -23.0588 -1.0099 C.2 1 noname 0.0440 16 C9 16.0688 -23.0908 0.1701 C.2 1 noname -0.0968 17 N5 17.3908 -24.2908 -1.0629 N.2 1 noname -0.3202 18 C10 19.1429 -22.6507 -1.7159 C.3 1 noname 0.0486 19 N6 16.2967 -24.3028 -0.3638 N.3 1 noname -0.0561 20 C11 15.4726 -25.4448 -0.1897 C.3 1 noname 0.1419 21 C12 14.5755 -25.5458 -1.2187 C.1 1 noname 0.0801 22 C13 15.0966 -25.9388 1.2143 C.3 1 noname -0.0131 23 C14 16.1116 -26.7189 0.3782 C.3 1 noname -0.0131 24 N7 13.8205 -25.6308 -2.0788 N.1 1 noname -0.1854 25 H1 19.2382 -17.4555 1.7860 H 1 noname 0.0848 26 H2 22.1853 -20.9617 2.6402 H 1 noname 0.1293 27 H3 22.3953 -23.1708 2.3282 H 1 noname 0.0396 28 H4 20.6221 -23.2498 2.4002 H 1 noname 0.0396 29 H5 21.4412 -22.9468 0.8481 H 1 noname 0.0396 30 H6 16.4809 -20.3666 -0.1129 H 1 noname 0.1374 31 H7 15.2757 -22.8307 0.7572 H 1 noname 0.0827 32 H8 19.5209 -23.4857 -2.3059 H 1 noname 0.0297 33 H9 18.9179 -21.8156 -2.3799 H 1 noname 0.0297 34 H10 19.9069 -22.3486 -1.0008 H 1 noname 0.0297 35 H11 15.4315 -25.3917 2.0954 H 1 noname 0.0301 36 H12 14.1155 -26.3718 1.4134 H 1 noname 0.0301 37 H13 17.1637 -26.7178 0.6653 H 1 noname 0.0301 38 H14 15.8495 -27.7019 -0.0137 H 1 noname 0.0301 @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 1 22 14 16 2 23 15 17 2 24 15 18 1 25 16 19 1 26 16 31 1 27 17 19 1 28 18 32 1 29 18 33 1 30 18 34 1 31 19 20 1 32 20 21 1 33 20 22 1 34 20 23 1 35 21 24 3 36 22 23 1 37 22 35 1 38 22 36 1 39 23 37 1 40 23 38 1 @SUBSTRUCTURE 1 noname 1