@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444924 57 60 1 SMALL USER_CHARGES @ATOM 1 F1 1.3059 -5.3184 2.0901 F 1 noname -0.1661 2 C1 1.4219 -5.0153 0.7520 C.3 1 noname 0.4161 3 F2 2.0019 -3.7722 0.6741 F 1 noname -0.1661 4 F3 0.1468 -4.9332 0.2481 F 1 noname -0.1661 5 C2 2.2169 -6.0013 -0.0278 C.2 1 noname -0.0059 6 C3 2.7939 -7.1483 0.5641 C.2 1 noname -0.0132 7 C4 2.4088 -5.7973 -1.4109 C.2 1 noname -0.0261 8 C5 3.5499 -8.0834 -0.1848 C.2 1 noname -0.0313 9 C6 3.1498 -6.7073 -2.1769 C.2 1 noname -0.0480 10 C7 4.1249 -9.2334 0.4372 C.2 1 noname -0.0302 11 C8 3.7148 -7.8393 -1.5678 C.2 1 noname -0.0452 12 C9 4.6298 -9.1764 1.7593 C.2 1 noname -0.0084 13 C10 4.2068 -10.4684 -0.2487 C.2 1 noname -0.0314 14 C11 5.2028 -10.3034 2.3924 C.2 1 noname 0.0535 15 C12 4.7638 -11.6024 0.3613 C.2 1 noname -0.0034 16 C13 5.2568 -11.5244 1.6724 C.2 1 noname 0.0472 17 C14 5.7178 -10.2854 3.7145 C.2 1 noname 0.0330 18 N1 5.7838 -12.6304 2.2495 N.2 1 noname -0.1885 19 C15 5.7308 -9.1463 4.4926 C.2 1 noname 0.0909 20 C16 6.2498 -11.4684 4.2686 C.2 1 noname 0.0570 21 C17 6.2798 -12.6564 3.5136 C.2 1 noname 0.0562 22 O1 5.3057 -9.1592 5.6377 O.2 1 noname -0.2586 23 O2 6.2508 -8.0192 4.0416 O.3 1 noname -0.2183 24 C18 6.8118 -13.8574 4.0227 C.2 1 noname 0.0433 25 O3 7.3187 -13.9053 5.1678 O.2 1 noname -0.2847 26 N2 6.7937 -14.9724 3.2567 N.3 1 noname -0.0593 27 C19 7.3237 -16.2304 3.6627 C.3 1 noname 0.1043 28 C20 7.3817 -17.0864 2.5017 C.2 1 noname 0.1442 29 C21 6.4486 -16.8664 4.7718 C.3 1 noname -0.0023 30 O4 8.4467 -17.5374 2.1107 O.2 1 noname -0.2493 31 O5 6.2816 -17.4003 1.8407 O.3 1 noname -0.2138 32 C22 6.9996 -18.1434 5.2748 C.2 1 noname -0.0660 33 C23 6.3146 -19.3564 5.0599 C.2 1 noname -0.0475 34 C24 8.2226 -18.1594 5.9749 C.2 1 noname -0.0475 35 C25 6.8486 -20.5685 5.5319 C.2 1 noname -0.0312 36 C26 8.7566 -19.3704 6.4480 C.2 1 noname -0.0312 37 C27 8.0706 -20.5765 6.2260 C.2 1 noname -0.0019 38 O6 8.5796 -21.7445 6.6761 O.3 1 noname -0.2861 39 H1 2.6478 -7.3083 1.5612 H 1 noname 0.0635 40 H2 2.0038 -4.9762 -1.8638 H 1 noname 0.0628 41 H3 3.2808 -6.5462 -3.1759 H 1 noname 0.0622 42 H4 4.2598 -8.4793 -2.1458 H 1 noname 0.0629 43 H5 4.5848 -8.2913 2.2664 H 1 noname 0.0636 44 H6 3.8458 -10.5574 -1.1987 H 1 noname 0.0629 45 H7 4.8058 -12.4844 -0.1496 H 1 noname 0.0645 46 H8 6.6198 -11.4613 5.2217 H 1 noname 0.0655 47 H9 6.2247 -7.2881 4.6927 H 1 noname 0.2216 48 H10 6.4207 -14.8984 2.3636 H 1 noname 0.1323 49 H11 8.3397 -16.0784 4.0368 H 1 noname 0.0581 50 H12 5.4425 -17.0164 4.3748 H 1 noname 0.0337 51 H13 6.3716 -16.1763 5.6129 H 1 noname 0.0337 52 H14 6.4395 -17.9943 1.0787 H 1 noname 0.2213 53 H15 5.4295 -19.3614 4.5529 H 1 noname 0.0626 54 H16 8.7276 -17.2883 6.1400 H 1 noname 0.0626 55 H17 6.3485 -21.4425 5.3690 H 1 noname 0.0650 56 H18 9.6436 -19.3714 6.9521 H 1 noname 0.0650 57 H19 9.4356 -21.6624 7.1471 H 1 noname 0.2181 @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 39 1 9 7 9 2 10 7 40 1 11 8 10 1 12 8 11 2 13 9 11 1 14 9 41 1 15 10 12 2 16 10 13 1 17 11 42 1 18 12 14 1 19 12 43 1 20 13 15 2 21 13 44 1 22 14 16 1 23 14 17 2 24 15 16 1 25 15 45 1 26 16 18 2 27 17 19 1 28 17 20 1 29 18 21 1 30 19 22 2 31 19 23 1 32 20 21 2 33 20 46 1 34 21 24 1 35 23 47 1 36 24 25 2 37 24 26 1 38 26 27 1 39 26 48 1 40 27 28 1 41 27 29 1 42 27 49 1 43 28 30 2 44 28 31 1 45 29 32 1 46 29 50 1 47 29 51 1 48 31 52 1 49 32 33 2 50 32 34 1 51 33 35 1 52 33 53 1 53 34 36 2 54 34 54 1 55 35 37 2 56 35 55 1 57 36 37 1 58 36 56 1 59 37 38 1 60 38 57 1 @SUBSTRUCTURE 1 noname 1