@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439432 41 44 1 SMALL USER_CHARGES @ATOM 1 F1 -1.1405 -8.8854 1.2283 F 1 noname -0.1643 2 C1 0.1444 -9.0413 1.0834 C.2 1 noname 0.0352 3 C2 0.7983 -10.1173 1.7074 C.2 1 noname 0.0011 4 C3 0.8823 -8.1313 0.3074 C.2 1 noname 0.0011 5 C4 2.1853 -10.2853 1.5505 C.2 1 noname -0.0123 6 C5 2.2693 -8.3002 0.1515 C.2 1 noname -0.0123 7 C6 2.9353 -9.3902 0.7535 C.2 1 noname -0.0305 8 C7 4.3353 -9.5242 0.6095 C.2 1 noname 0.0466 9 N1 5.1392 -8.4511 0.7286 N.2 1 noname -0.3065 10 C8 5.1392 -10.6701 0.4556 C.2 1 noname 0.0279 11 N2 6.3722 -8.8300 0.6876 N.3 1 noname -0.0330 12 C9 4.7912 -12.0341 0.1826 C.2 1 noname 0.0135 13 C10 6.4332 -10.1601 0.5456 C.2 1 noname -0.0597 14 C11 7.4742 -7.9430 0.7786 C.3 1 noname -0.0391 15 C12 5.6741 -13.1141 0.4586 C.2 1 noname 0.0592 16 C13 3.5491 -12.3441 -0.4193 C.2 1 noname 0.0009 17 O1 6.8721 -12.9050 1.0727 O.3 1 noname -0.2598 18 C14 5.2931 -14.4340 0.1337 C.2 1 noname 0.0431 19 C15 3.2101 -13.6701 -0.7152 C.2 1 noname -0.0087 20 C16 7.1031 -13.4400 2.3788 C.3 1 noname 0.0660 21 N3 4.0850 -14.6610 -0.4352 N.2 1 noname -0.2333 22 C17 6.1770 -15.5820 0.3827 C.3 1 noname 0.0407 23 C18 7.5051 -14.9210 2.3348 C.3 1 noname 0.0197 24 N4 6.4340 -15.7849 1.8178 N.3 1 noname -0.3087 25 H1 0.2693 -10.7762 2.2805 H 1 noname 0.0653 26 H2 0.4143 -7.3422 -0.1415 H 1 noname 0.0653 27 H3 2.6442 -11.0632 2.0265 H 1 noname 0.0630 28 H4 2.7892 -7.6252 -0.4104 H 1 noname 0.0630 29 H5 7.2992 -10.6890 0.4516 H 1 noname 0.0816 30 H6 7.4261 -7.4059 1.7257 H 1 noname 0.0453 31 H7 7.4281 -7.2259 -0.0412 H 1 noname 0.0453 32 H8 8.4211 -8.4839 0.7247 H 1 noname 0.0453 33 H9 2.8931 -11.6120 -0.6882 H 1 noname 0.0646 34 H10 2.3150 -13.8870 -1.1542 H 1 noname 0.0839 35 H11 7.9271 -12.8829 2.8248 H 1 noname 0.0585 36 H12 6.2220 -13.3119 3.0118 H 1 noname 0.0585 37 H13 5.6930 -16.4840 0.0057 H 1 noname 0.0496 38 H14 7.1160 -15.4510 -0.1592 H 1 noname 0.0496 39 H15 7.7380 -15.2409 3.3509 H 1 noname 0.0452 40 H16 8.4020 -15.0349 1.7239 H 1 noname 0.0452 41 H17 5.5729 -15.5639 2.3238 H 1 noname 0.1227 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 25 1 6 4 6 2 7 4 26 1 8 5 7 2 9 5 27 1 10 6 7 1 11 6 28 1 12 7 8 1 13 8 9 2 14 8 10 1 15 9 11 1 16 10 12 1 17 10 13 2 18 11 14 1 19 11 13 1 20 12 15 2 21 12 16 1 22 13 29 1 23 14 30 1 24 14 31 1 25 14 32 1 26 15 17 1 27 15 18 1 28 16 19 2 29 16 33 1 30 17 20 1 31 18 21 2 32 18 22 1 33 19 21 1 34 19 34 1 35 20 23 1 36 20 35 1 37 20 36 1 38 22 24 1 39 22 37 1 40 22 38 1 41 23 24 1 42 23 39 1 43 23 40 1 44 24 41 1 @SUBSTRUCTURE 1 noname 1