@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448119 49 50 1 SMALL USER_CHARGES @ATOM 1 F1 14.9870 -15.4276 0.7848 F 1 noname -0.1659 2 C1 15.2240 -16.7806 0.7039 C.3 1 noname 0.4206 3 F2 15.9780 -17.1186 1.8020 F 1 noname -0.1659 4 F3 15.9800 -16.9856 -0.4250 F 1 noname -0.1659 5 C2 13.9929 -17.6077 0.6549 C.2 1 noname 0.0102 6 C3 14.0508 -19.0157 0.5690 C.2 1 noname 0.0697 7 C4 12.7018 -17.0436 0.6910 C.2 1 noname 0.0404 8 N1 12.9077 -19.7417 0.5270 N.2 1 noname -0.2305 9 N2 15.2398 -19.6587 0.5280 N.3 1 noname -0.0991 10 N3 11.5976 -17.8256 0.6460 N.2 1 noname -0.2542 11 C5 11.6796 -19.1716 0.5610 C.2 1 noname 0.0858 12 C6 15.3518 -21.0697 0.4410 C.3 1 noname -0.0101 13 N4 10.5354 -19.8896 0.5311 N.3 1 noname 0.0460 14 C7 10.4824 -21.2376 0.4511 C.2 1 noname 0.0261 15 C8 10.9454 -22.0776 -0.5548 C.2 1 noname 0.0436 16 C9 9.8983 -22.0826 1.3772 C.2 1 noname -0.0986 17 N5 10.6483 -23.3427 -0.2097 N.2 1 noname -0.3219 18 C10 11.6174 -21.6846 -1.7948 C.3 1 noname 0.0485 19 N6 10.0323 -23.3487 0.9353 N.3 1 noname -0.0586 20 C11 9.5912 -24.5327 1.6183 C.3 1 noname 0.1233 21 C12 10.3912 -24.6967 2.8534 C.2 1 noname 0.0523 22 C13 8.0761 -24.4296 1.9174 C.3 1 noname -0.0334 23 C14 9.7892 -25.7857 0.7323 C.3 1 noname -0.0334 24 O1 9.8452 -24.7496 3.9796 O.2 1 noname -0.2876 25 N7 11.7363 -24.7716 2.7535 N.3 1 noname -0.0658 26 C15 12.5933 -24.9136 3.8786 C.3 1 noname 0.0988 27 C16 14.0723 -24.9655 3.4476 C.3 1 noname 0.4012 28 F4 14.8713 -25.1025 4.5547 F 1 noname -0.1696 29 F5 14.2913 -26.0336 2.6116 F 1 noname -0.1696 30 F6 14.4223 -23.8094 2.7936 F 1 noname -0.1696 31 H1 12.5837 -16.0325 0.7550 H 1 noname 0.0848 32 H2 16.0558 -19.1346 0.5610 H 1 noname 0.1293 33 H3 14.8797 -21.4277 -0.4749 H 1 noname 0.0396 34 H4 14.8727 -21.5377 1.3021 H 1 noname 0.0396 35 H5 16.4068 -21.3447 0.4290 H 1 noname 0.0396 36 H6 9.7003 -19.4055 0.6171 H 1 noname 0.1374 37 H7 9.4532 -21.7956 2.2504 H 1 noname 0.0826 38 H8 11.8094 -22.5686 -2.4038 H 1 noname 0.0297 39 H9 10.9823 -20.9965 -2.3538 H 1 noname 0.0297 40 H10 12.5654 -21.1985 -1.5667 H 1 noname 0.0297 41 H11 7.7230 -25.3507 2.3835 H 1 noname 0.0258 42 H12 7.5290 -24.2726 0.9864 H 1 noname 0.0258 43 H13 7.8740 -23.5966 2.5905 H 1 noname 0.0258 44 H14 9.2091 -25.6796 -0.1846 H 1 noname 0.0258 45 H15 9.4521 -26.6787 1.2614 H 1 noname 0.0258 46 H16 10.8412 -25.9047 0.4683 H 1 noname 0.0258 47 H17 12.1342 -24.7176 1.8695 H 1 noname 0.1314 48 H18 12.4482 -24.0675 4.5527 H 1 noname 0.0526 49 H19 12.3442 -25.8346 4.4097 H 1 noname 0.0526 @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 31 1 11 8 11 2 12 9 12 1 13 9 32 1 14 10 11 1 15 11 13 1 16 12 33 1 17 12 34 1 18 12 35 1 19 13 14 1 20 13 36 1 21 14 15 1 22 14 16 2 23 15 17 2 24 15 18 1 25 16 19 1 26 16 37 1 27 17 19 1 28 18 38 1 29 18 39 1 30 18 40 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 41 1 38 22 42 1 39 22 43 1 40 23 44 1 41 23 45 1 42 23 46 1 43 25 26 1 44 25 47 1 45 26 27 1 46 26 48 1 47 26 49 1 48 27 28 1 49 27 29 1 50 27 30 1 @SUBSTRUCTURE 1 noname 1