@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446466 48 51 1 SMALL USER_CHARGES @ATOM 1 F1 4.5130 -7.8201 2.7755 F 1 noname -0.1644 2 C1 3.4330 -8.0101 1.9486 C.3 1 noname 0.4353 3 F2 3.7289 -7.5300 0.6967 F 1 noname -0.1644 4 F3 2.3940 -7.2610 2.4456 F 1 noname -0.1644 5 C2 3.0760 -9.4430 1.8826 C.2 1 noname 0.0840 6 N1 1.8799 -9.9400 2.2567 N.2 1 noname -0.2577 7 C3 3.8639 -10.5120 1.4437 C.2 1 noname 0.0533 8 N2 1.8709 -11.2219 2.0847 N.3 1 noname -0.0240 9 C4 5.1888 -10.5039 0.9587 C.2 1 noname -0.0891 10 C5 3.0499 -11.6279 1.5917 C.2 1 noname -0.0628 11 C6 0.7608 -12.0509 2.3838 C.3 1 noname -0.0373 12 N3 5.9708 -9.4149 0.8038 N.3 1 noname -0.0232 13 C7 5.9288 -11.6219 0.5578 C.2 1 noname -0.0186 14 C8 7.1717 -9.7789 0.3289 C.2 1 noname 0.0321 15 C9 7.1747 -11.1578 0.1649 C.2 1 noname -0.0583 16 C10 8.2986 -9.0058 0.0179 C.2 1 noname -0.0208 17 C11 8.3177 -11.8068 -0.3170 C.2 1 noname 0.0022 18 C12 9.4386 -9.6788 -0.4679 C.2 1 noname 0.0269 19 N4 9.4016 -11.0377 -0.6099 N.2 1 noname -0.2872 20 N5 10.5415 -8.9418 -0.7569 N.3 1 noname 0.0080 21 C13 11.7345 -9.4087 -1.2088 C.2 1 noname -0.0142 22 C14 12.9114 -8.8306 -0.6858 C.2 1 noname 0.0087 23 C15 11.8434 -10.3926 -2.2137 C.2 1 noname -0.0381 24 O1 12.8573 -7.8546 0.2602 O.3 1 noname -0.2722 25 C16 14.1703 -9.2436 -1.1547 C.2 1 noname -0.0030 26 C17 13.1043 -10.8076 -2.6727 C.2 1 noname -0.0422 27 C18 12.5583 -8.2286 1.6072 C.3 1 noname 0.0424 28 C19 14.2803 -10.2356 -2.1446 C.2 1 noname -0.0146 29 O2 15.5392 -10.5825 -2.5436 O.3 1 noname -0.2795 30 C20 15.7831 -11.5705 -3.5485 C.3 1 noname 0.0423 31 H1 3.3008 -12.5919 1.3678 H 1 noname 0.0816 32 H2 -0.0971 -11.7328 1.7898 H 1 noname 0.0453 33 H3 0.5158 -11.9558 3.4418 H 1 noname 0.0453 34 H4 0.9778 -13.0968 2.1608 H 1 noname 0.0453 35 H5 5.7097 -8.5039 1.0058 H 1 noname 0.1528 36 H6 5.6188 -12.5938 0.5578 H 1 noname 0.0650 37 H7 8.2916 -7.9928 0.1430 H 1 noname 0.0676 38 H8 8.3426 -12.8187 -0.4419 H 1 noname 0.0847 39 H9 10.4955 -7.9927 -0.5648 H 1 noname 0.1358 40 H10 11.0034 -10.8046 -2.6217 H 1 noname 0.0641 41 H11 15.0143 -8.8186 -0.7707 H 1 noname 0.0678 42 H12 13.1603 -11.5235 -3.3967 H 1 noname 0.0650 43 H13 12.5683 -7.3346 2.2303 H 1 noname 0.0535 44 H14 11.5712 -8.6895 1.6703 H 1 noname 0.0535 45 H15 13.3092 -8.9265 1.9802 H 1 noname 0.0535 46 H16 16.8591 -11.6695 -3.6915 H 1 noname 0.0535 47 H17 15.3781 -12.5344 -3.2385 H 1 noname 0.0535 48 H18 15.3291 -11.2675 -4.4945 H 1 noname 0.0535 @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 7 9 1 9 7 10 2 10 8 11 1 11 8 10 1 12 9 12 1 13 9 13 2 14 10 31 1 15 11 32 1 16 11 33 1 17 11 34 1 18 12 14 1 19 12 35 1 20 13 15 1 21 13 36 1 22 14 16 1 23 14 15 2 24 15 17 1 25 16 18 2 26 16 37 1 27 17 19 2 28 17 38 1 29 18 20 1 30 18 19 1 31 20 21 1 32 20 39 1 33 21 22 2 34 21 23 1 35 22 24 1 36 22 25 1 37 23 26 2 38 23 40 1 39 24 27 1 40 25 28 2 41 25 41 1 42 26 28 1 43 26 42 1 44 27 43 1 45 27 44 1 46 27 45 1 47 28 29 1 48 29 30 1 49 30 46 1 50 30 47 1 51 30 48 1 @SUBSTRUCTURE 1 noname 1