@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441298 47 49 1 SMALL USER_CHARGES @ATOM 1 P1 10.8910 -8.5047 -0.4560 P 1 noname 0.0498 2 O1 9.5919 -8.7856 -1.0119 O.2 1 noname -0.2094 3 O2 11.0389 -6.9725 -0.3919 O.3 1 noname -0.1783 4 O3 11.9570 -9.0446 -1.4270 O.3 1 noname -0.1783 5 C1 11.0839 -9.1646 1.0600 C.3 1 noname 0.3751 6 F1 10.0988 -8.6896 1.8961 F 1 noname -0.1845 7 F2 12.2689 -8.6816 1.5731 F 1 noname -0.1845 8 C2 11.0379 -10.6517 0.9941 C.2 1 noname -0.0131 9 C3 12.1819 -11.4507 1.2191 C.2 1 noname -0.0152 10 C4 9.8278 -11.3006 0.6691 C.2 1 noname -0.0286 11 C5 12.1408 -12.8607 1.1252 C.2 1 noname -0.0307 12 C6 9.7588 -12.6986 0.5842 C.2 1 noname -0.0483 13 C7 13.3098 -13.6447 1.3412 C.2 1 noname -0.0160 14 C8 10.9067 -13.4726 0.8112 C.2 1 noname -0.0416 15 C9 14.5528 -13.3206 0.7363 C.2 1 noname 0.0034 16 C10 13.2458 -14.7787 2.1813 C.2 1 noname -0.0498 17 O4 14.6268 -12.2585 -0.1026 O.3 1 noname -0.2828 18 C11 15.7088 -14.1046 0.9743 C.2 1 noname -0.0252 19 C12 14.3838 -15.5607 2.4243 C.2 1 noname -0.0718 20 C13 15.6048 -15.2236 1.8254 C.2 1 noname -0.0573 21 C14 17.0278 -13.7986 0.3584 C.3 1 noname 0.0245 22 C15 16.9978 -13.9165 -1.1825 C.3 1 noname -0.0463 23 C16 17.5768 -12.4224 0.8004 C.3 1 noname -0.0463 24 C17 18.3958 -13.6605 -1.7655 C.3 1 noname -0.0527 25 C18 18.9688 -12.1844 0.1964 C.3 1 noname -0.0527 26 C19 18.9138 -12.2794 -1.3355 C.3 1 noname -0.0532 27 H1 10.3849 -6.5425 0.1961 H 1 noname 0.2261 28 H2 11.9210 -10.0156 -1.5499 H 1 noname 0.2261 29 H3 13.0649 -10.9956 1.4552 H 1 noname 0.0634 30 H4 8.9857 -10.7506 0.4972 H 1 noname 0.0627 31 H5 8.8747 -13.1516 0.3502 H 1 noname 0.0622 32 H6 10.8377 -14.4886 0.7332 H 1 noname 0.0629 33 H7 12.3687 -15.0366 2.6373 H 1 noname 0.0630 34 H8 15.5098 -12.0975 -0.4876 H 1 noname 0.2182 35 H9 14.3227 -16.3736 3.0374 H 1 noname 0.0622 36 H10 16.4248 -15.8016 2.0115 H 1 noname 0.0626 37 H11 17.7568 -14.5365 0.7024 H 1 noname 0.0353 38 H12 16.3047 -13.1994 -1.6195 H 1 noname 0.0273 39 H13 16.6827 -14.9235 -1.4635 H 1 noname 0.0273 40 H14 16.9187 -11.6153 0.4805 H 1 noname 0.0273 41 H15 17.6598 -12.3964 1.8885 H 1 noname 0.0273 42 H16 19.0827 -14.4305 -1.4145 H 1 noname 0.0267 43 H17 18.3437 -13.7014 -2.8545 H 1 noname 0.0267 44 H18 19.6638 -12.9313 0.5815 H 1 noname 0.0267 45 H19 19.3208 -11.1933 0.4835 H 1 noname 0.0267 46 H20 18.2537 -11.5033 -1.7255 H 1 noname 0.0266 47 H21 19.9148 -12.1293 -1.7405 H 1 noname 0.0266 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 27 1 6 4 28 1 7 5 6 1 8 5 7 1 9 5 8 1 10 8 9 2 11 8 10 1 12 9 11 1 13 9 29 1 14 10 12 2 15 10 30 1 16 11 13 1 17 11 14 2 18 12 14 1 19 12 31 1 20 13 15 2 21 13 16 1 22 14 32 1 23 15 17 1 24 15 18 1 25 16 19 2 26 16 33 1 27 17 34 1 28 18 20 2 29 18 21 1 30 19 20 1 31 19 35 1 32 20 36 1 33 21 22 1 34 21 23 1 35 21 37 1 36 22 24 1 37 22 38 1 38 22 39 1 39 23 25 1 40 23 40 1 41 23 41 1 42 24 26 1 43 24 42 1 44 24 43 1 45 25 26 1 46 25 44 1 47 25 45 1 48 26 46 1 49 26 47 1 @SUBSTRUCTURE 1 noname 1