@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448124 41 43 1 SMALL USER_CHARGES @ATOM 1 F1 15.7705 -2.8066 0.8764 F 1 noname -0.1659 2 C1 14.5375 -2.2036 0.8735 C.3 1 noname 0.4206 3 F2 14.5395 -1.3255 -0.1843 F 1 noname -0.1659 4 F3 14.4595 -1.4756 2.0365 F 1 noname -0.1659 5 C2 13.3685 -3.1185 0.7696 C.2 1 noname 0.0103 6 C3 13.4255 -4.5294 0.6786 C.2 1 noname 0.0697 7 C4 12.0765 -2.5535 0.7596 C.2 1 noname 0.0404 8 N1 12.2745 -5.2403 0.5897 N.2 1 noname -0.2304 9 N2 14.5864 -5.2253 0.6717 N.3 1 noname -0.0991 10 N3 10.9695 -3.3244 0.6666 N.2 1 noname -0.2541 11 C5 11.0485 -4.6693 0.5777 C.2 1 noname 0.0859 12 C6 14.6414 -6.6402 0.5737 C.3 1 noname -0.0101 13 N4 9.9055 -5.3842 0.4938 N.3 1 noname 0.0479 14 C7 9.8465 -6.7321 0.4038 C.2 1 noname 0.0349 15 C8 10.3984 -7.5780 -0.5500 C.2 1 noname -0.0806 16 C9 9.1615 -7.5770 1.2638 C.2 1 noname 0.0475 17 N5 10.0354 -8.8320 -0.2320 N.3 1 noname -0.0337 18 C10 11.2004 -7.2570 -1.7419 C.3 1 noname 0.0964 19 N6 9.3115 -8.8450 0.8439 N.2 1 noname -0.2885 20 C11 10.3894 -9.9849 -0.9819 C.3 1 noname -0.0158 21 O1 11.7343 -8.4629 -2.3048 O.3 1 noname -0.3676 22 C12 10.3644 -6.5100 -2.7948 C.3 1 noname -0.0330 23 C13 10.8783 -9.6048 -2.3948 C.3 1 noname 0.0733 24 C14 11.6403 -10.7667 -3.0408 C.3 1 noname -0.0370 25 H1 11.9665 -1.5415 0.8236 H 1 noname 0.0848 26 H2 15.4263 -4.7483 0.7357 H 1 noname 0.1293 27 H3 15.6823 -6.9601 0.5938 H 1 noname 0.0396 28 H4 14.1123 -7.0951 1.4128 H 1 noname 0.0396 29 H5 14.1874 -6.9692 -0.3621 H 1 noname 0.0396 30 H6 9.0685 -4.8972 0.5508 H 1 noname 0.1374 31 H7 8.6315 -7.2850 2.0848 H 1 noname 0.0874 32 H8 12.0433 -6.6290 -1.4609 H 1 noname 0.0666 33 H9 11.1763 -10.5178 -0.4469 H 1 noname 0.0517 34 H10 9.5204 -10.6378 -1.0769 H 1 noname 0.0517 35 H11 9.4914 -7.1000 -3.0758 H 1 noname 0.0261 36 H12 10.9763 -6.3370 -3.6798 H 1 noname 0.0261 37 H13 10.0373 -5.5490 -2.3968 H 1 noname 0.0261 38 H14 10.0163 -9.3598 -3.0178 H 1 noname 0.0617 39 H15 10.9902 -11.6396 -3.1087 H 1 noname 0.0257 40 H16 11.9602 -10.4787 -4.0427 H 1 noname 0.0257 41 H17 12.5162 -11.0127 -2.4407 H 1 noname 0.0257 @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 21 1 30 18 22 1 31 18 32 1 32 20 23 1 33 20 33 1 34 20 34 1 35 21 23 1 36 22 35 1 37 22 36 1 38 22 37 1 39 23 24 1 40 23 38 1 41 24 39 1 42 24 40 1 43 24 41 1 @SUBSTRUCTURE 1 noname 1