@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440117 45 46 1 SMALL USER_CHARGES @ATOM 1 F1 6.3839 -19.4147 1.6588 F 1 noname -0.1661 2 C1 7.3339 -20.1987 2.2708 C.3 1 noname 0.4161 3 F2 6.6928 -21.3326 2.7109 F 1 noname -0.1661 4 F3 7.7858 -19.5006 3.3659 F 1 noname -0.1661 5 C2 8.4738 -20.5686 1.3919 C.2 1 noname -0.0115 6 C3 9.5157 -21.3736 1.9079 C.2 1 noname -0.0237 7 C4 8.5558 -20.1526 0.0430 C.2 1 noname -0.0483 8 C5 10.5997 -21.7645 1.1020 C.2 1 noname -0.0219 9 C6 9.6417 -20.5316 -0.7639 C.2 1 noname -0.0534 10 N1 11.5666 -22.5605 1.6141 N.3 1 noname 0.0131 11 C7 10.6626 -21.3365 -0.2358 C.2 1 noname -0.0550 12 C8 11.6276 -23.9044 1.4191 C.2 1 noname 0.0770 13 N2 10.6285 -24.4993 0.7202 N.2 1 noname -0.2288 14 C9 12.6395 -24.6993 2.0081 C.2 1 noname 0.0091 15 C10 10.5165 -25.8373 0.5862 C.2 1 noname 0.0942 16 C11 13.7554 -24.1923 2.7342 C.2 1 noname 0.0253 17 C12 12.4595 -26.0953 1.8962 C.2 1 noname 0.0475 18 N3 11.4314 -26.6223 1.1913 N.2 1 noname -0.2533 19 N4 9.5084 -26.3932 -0.1136 N.3 1 noname -0.0665 20 O1 14.2494 -24.9442 3.6082 O.2 1 noname -0.2911 21 N5 14.3714 -22.9723 2.5692 N.3 1 noname -0.0688 22 C13 8.5024 -25.6362 -0.7765 C.3 1 noname 0.0152 23 C14 15.2503 -22.4962 3.5912 C.3 1 noname -0.0057 24 C15 14.3294 -22.1933 1.3703 C.3 1 noname -0.0057 25 C16 7.5624 -24.9262 0.2124 C.3 1 noname 0.0054 26 N6 6.5344 -24.1902 -0.5245 N.3 1 noname -0.3291 27 H1 9.4747 -21.6885 2.8780 H 1 noname 0.0645 28 H2 7.8217 -19.5716 -0.3609 H 1 noname 0.0628 29 H3 9.6857 -20.2245 -1.7358 H 1 noname 0.0623 30 H4 12.2365 -22.1504 2.1821 H 1 noname 0.1357 31 H5 11.4466 -21.6164 -0.8277 H 1 noname 0.0639 32 H6 13.1274 -26.7372 2.3272 H 1 noname 0.0849 33 H7 9.4844 -27.3592 -0.1865 H 1 noname 0.1312 34 H8 7.9074 -26.3202 -1.3835 H 1 noname 0.0446 35 H9 8.9654 -24.9002 -1.4355 H 1 noname 0.0446 36 H10 15.6693 -21.5232 3.3283 H 1 noname 0.0399 37 H11 14.7013 -22.3912 4.5293 H 1 noname 0.0399 38 H12 16.0723 -23.1992 3.7362 H 1 noname 0.0399 39 H13 13.8313 -21.2432 1.5633 H 1 noname 0.0399 40 H14 15.3513 -21.9882 1.0463 H 1 noname 0.0399 41 H15 13.8303 -22.7082 0.5493 H 1 noname 0.0399 42 H16 8.1203 -24.2222 0.8294 H 1 noname 0.0438 43 H17 7.0843 -25.6651 0.8554 H 1 noname 0.0438 44 H18 7.0183 -23.4692 -1.0634 H 1 noname 0.1184 45 H19 5.9644 -23.7042 0.1715 H 1 noname 0.1184 @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 27 1 9 7 9 2 10 7 28 1 11 8 10 1 12 8 11 2 13 9 11 1 14 9 29 1 15 10 12 1 16 10 30 1 17 11 31 1 18 12 13 2 19 12 14 1 20 13 15 1 21 14 16 1 22 14 17 2 23 15 18 2 24 15 19 1 25 16 20 2 26 16 21 1 27 17 18 1 28 17 32 1 29 19 22 1 30 19 33 1 31 21 23 1 32 21 24 1 33 22 25 1 34 22 34 1 35 22 35 1 36 23 36 1 37 23 37 1 38 23 38 1 39 24 39 1 40 24 40 1 41 24 41 1 42 25 26 1 43 25 42 1 44 25 43 1 45 26 44 1 46 26 45 1 @SUBSTRUCTURE 1 noname 1