@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443645 41 45 1 SMALL USER_CHARGES @ATOM 1 F1 9.5295 -12.7787 1.9182 F 1 noname -0.1269 2 C1 9.5164 -13.6437 0.9433 C.2 1 noname 0.0899 3 N1 10.6543 -14.3346 0.6823 N.2 1 noname -0.2033 4 C2 8.3594 -13.8626 0.1633 C.2 1 noname 0.0393 5 C3 10.7503 -15.2495 -0.3115 C.2 1 noname 0.0112 6 C4 8.4433 -14.8116 -0.8765 C.2 1 noname -0.0156 7 C5 7.0874 -13.1416 0.4044 C.3 1 noname 0.0472 8 C6 9.6352 -15.5105 -1.1214 C.2 1 noname -0.0294 9 N2 7.3013 -11.7416 0.2674 N.3 1 noname -0.0403 10 C7 6.5263 -13.4895 1.7994 C.3 1 noname -0.0211 11 C8 6.3122 -10.8275 0.3115 C.2 1 noname 0.1563 12 C9 5.0613 -13.9075 1.9574 C.3 1 noname -0.0483 13 C10 6.1743 -14.9295 2.1894 C.3 1 noname -0.0483 14 O1 4.9972 -11.0775 0.4795 O.3 1 noname -0.3196 15 N3 6.5142 -9.5095 0.1905 N.2 1 noname -0.1356 16 C11 4.4201 -9.8575 0.4546 C.2 1 noname 0.1130 17 N4 5.3661 -8.9205 0.2776 N.2 1 noname -0.1261 18 C12 3.0481 -9.5924 0.5886 C.2 1 noname 0.0049 19 C13 2.0031 -10.4954 0.7667 C.2 1 noname -0.0037 20 C14 2.4490 -8.3304 0.5667 C.2 1 noname -0.0564 21 C15 0.8240 -9.7583 0.8467 C.2 1 noname 0.0692 22 C16 1.9540 -11.8953 0.8667 C.2 1 noname -0.0077 23 N5 1.1190 -8.4583 0.7237 N.3 1 noname 0.0045 24 N6 -0.3759 -10.3633 1.0227 N.2 1 noname -0.2048 25 C17 0.7020 -12.5143 1.0507 C.2 1 noname 0.0004 26 C18 -0.4609 -11.7183 1.1268 C.2 1 noname 0.0801 27 F2 -1.6250 -12.2752 1.2958 F 1 noname -0.1283 28 H1 11.6282 -15.7455 -0.4695 H 1 noname 0.0840 29 H2 7.6293 -14.9975 -1.4624 H 1 noname 0.0628 30 H3 6.3483 -13.4475 -0.3415 H 1 noname 0.0525 31 H4 9.6902 -16.1954 -1.8754 H 1 noname 0.0638 32 H5 8.2062 -11.4215 0.1275 H 1 noname 0.1324 33 H6 6.9822 -12.8525 2.5584 H 1 noname 0.0322 34 H7 4.4762 -13.5264 2.7945 H 1 noname 0.0270 35 H8 4.4202 -14.0185 1.0835 H 1 noname 0.0270 36 H9 6.3912 -15.2835 3.1974 H 1 noname 0.0270 37 H10 6.3232 -15.7434 1.4805 H 1 noname 0.0270 38 H11 2.9400 -7.4434 0.4517 H 1 noname 0.0797 39 H12 2.8030 -12.4552 0.8068 H 1 noname 0.0632 40 H13 0.4780 -7.7313 0.7438 H 1 noname 0.1537 41 H14 0.6410 -13.5302 1.1278 H 1 noname 0.0670 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 8 2 8 5 28 1 9 6 8 1 10 6 29 1 11 7 9 1 12 7 10 1 13 7 30 1 14 8 31 1 15 9 11 1 16 9 32 1 17 10 12 1 18 10 13 1 19 10 33 1 20 11 14 1 21 11 15 2 22 12 13 1 23 12 34 1 24 12 35 1 25 13 36 1 26 13 37 1 27 14 16 1 28 15 17 1 29 16 18 1 30 16 17 2 31 18 19 1 32 18 20 2 33 19 21 2 34 19 22 1 35 20 23 1 36 20 38 1 37 21 24 1 38 21 23 1 39 22 25 2 40 22 39 1 41 23 40 1 42 24 26 2 43 25 26 1 44 25 41 1 45 26 27 1 @SUBSTRUCTURE 1 noname 1