@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445123 56 59 1 SMALL USER_CHARGES @ATOM 1 F1 0.0000 -8.7626 -6.8108 F 1 noname -0.1661 2 C1 1.3709 -8.7156 -6.6867 C.3 1 noname 0.4167 3 F2 1.8478 -9.4635 -7.7367 F 1 noname -0.1661 4 F3 1.6528 -9.3585 -5.5067 F 1 noname -0.1661 5 C2 1.9458 -7.3326 -6.6997 C.2 1 noname 0.0112 6 C3 3.3467 -7.0755 -6.8126 C.2 1 noname 0.0033 7 C4 1.0708 -6.2206 -6.6207 C.2 1 noname -0.0196 8 C5 4.3147 -8.1065 -6.8616 C.2 1 noname -0.0071 9 C6 3.8117 -5.7415 -6.8686 C.2 1 noname -0.0298 10 C7 1.5477 -4.9025 -6.6686 C.2 1 noname -0.0477 11 N1 4.3566 -9.0384 -5.8766 N.2 1 noname -0.2055 12 C8 5.2536 -8.2034 -7.9065 C.2 1 noname -0.0015 13 C9 2.9207 -4.6625 -6.7975 C.2 1 noname -0.0517 14 C10 5.2246 -10.0823 -5.8205 C.2 1 noname 0.0306 15 C11 6.1715 -9.2643 -7.9044 C.2 1 noname -0.0336 16 C12 6.1645 -10.2163 -6.8724 C.2 1 noname 0.0386 17 C13 5.1105 -10.9783 -4.7325 C.2 1 noname 0.1151 18 N2 7.0644 -11.2162 -6.9294 N.3 1 noname -0.1369 19 O1 5.8264 -12.0072 -4.7005 O.2 1 noname -0.2649 20 N3 4.2505 -10.6862 -3.7105 N.3 1 noname -0.1230 21 C14 3.8434 -11.4712 -2.6635 C.2 1 noname 0.0024 22 C15 3.1114 -10.8902 -1.5865 C.2 1 noname 0.0093 23 C16 4.0174 -12.8761 -2.6714 C.2 1 noname 0.0183 24 N4 2.9914 -9.5231 -1.3694 N.3 1 noname -0.1235 25 C17 2.5414 -11.7601 -0.6245 C.2 1 noname -0.0263 26 N5 3.4683 -13.6540 -1.7114 N.2 1 noname -0.2816 27 C18 4.0573 -8.5941 -1.6424 C.3 1 noname 0.0183 28 C19 1.9114 -8.9591 -0.6004 C.3 1 noname 0.0033 29 C20 2.7344 -13.1440 -0.7024 C.2 1 noname -0.0075 30 C21 3.5653 -7.3091 -2.3323 C.3 1 noname 0.0173 31 C22 1.3364 -7.6981 -1.2633 C.3 1 noname -0.0385 32 N6 3.0632 -7.5991 -3.6702 N.3 1 noname -0.3265 33 C23 2.4473 -6.6681 -1.5023 C.3 1 noname -0.0355 34 H1 0.0648 -6.3635 -6.5296 H 1 noname 0.0629 35 H2 4.8106 -5.5435 -6.9495 H 1 noname 0.0629 36 H3 0.8947 -4.1205 -6.6116 H 1 noname 0.0622 37 H4 5.2655 -7.5234 -8.6674 H 1 noname 0.0646 38 H5 3.2706 -3.7055 -6.8345 H 1 noname 0.0622 39 H6 6.8454 -9.3423 -8.6664 H 1 noname 0.0640 40 H7 7.6903 -11.2672 -7.6673 H 1 noname 0.1243 41 H8 7.0844 -11.8891 -6.2303 H 1 noname 0.1243 42 H9 3.8774 -9.7922 -3.7274 H 1 noname 0.1376 43 H10 4.5153 -13.3441 -3.4244 H 1 noname 0.0856 44 H11 2.0284 -11.3951 0.1765 H 1 noname 0.0656 45 H12 4.8772 -9.0191 -2.2163 H 1 noname 0.0450 46 H13 4.4793 -8.2981 -0.6794 H 1 noname 0.0450 47 H14 2.2783 -8.6971 0.3935 H 1 noname 0.0434 48 H15 1.0733 -9.6481 -0.4914 H 1 noname 0.0434 49 H16 2.3384 -13.7610 0.0075 H 1 noname 0.0839 50 H17 4.3942 -6.6051 -2.4153 H 1 noname 0.0475 51 H18 0.5753 -7.2621 -0.6143 H 1 noname 0.0280 52 H19 0.8753 -7.9660 -2.2153 H 1 noname 0.0280 53 H20 3.8502 -7.9550 -4.2132 H 1 noname 0.1187 54 H21 2.3932 -8.3650 -3.5732 H 1 noname 0.1187 55 H22 2.8492 -6.3401 -0.5423 H 1 noname 0.0283 56 H23 2.0412 -5.8061 -2.0323 H 1 noname 0.0283 @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 9 1 9 7 10 2 10 7 34 1 11 8 11 2 12 8 12 1 13 9 13 2 14 9 35 1 15 10 13 1 16 10 36 1 17 11 14 1 18 12 15 2 19 12 37 1 20 13 38 1 21 14 16 2 22 14 17 1 23 15 16 1 24 15 39 1 25 16 18 1 26 17 19 2 27 17 20 1 28 18 40 1 29 18 41 1 30 20 21 1 31 20 42 1 32 21 22 2 33 21 23 1 34 22 24 1 35 22 25 1 36 23 26 2 37 23 43 1 38 24 27 1 39 24 28 1 40 25 29 2 41 25 44 1 42 26 29 1 43 27 30 1 44 27 45 1 45 27 46 1 46 28 31 1 47 28 47 1 48 28 48 1 49 29 49 1 50 30 32 1 51 30 33 1 52 30 50 1 53 31 33 1 54 31 51 1 55 31 52 1 56 32 53 1 57 32 54 1 58 33 55 1 59 33 56 1 @SUBSTRUCTURE 1 noname 1