@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442813 57 60 1 SMALL USER_CHARGES @ATOM 1 F1 6.0875 -2.2908 -1.0568 F 1 noname -0.1507 2 C1 7.0374 -2.1568 -0.1798 C.2 1 noname 0.0766 3 C2 7.5904 -3.2217 0.5801 C.2 1 noname 0.0471 4 C3 7.5304 -0.8528 0.0071 C.2 1 noname 0.0549 5 N1 7.2653 -4.5526 0.5722 N.3 1 noname -0.1249 6 C4 8.6213 -2.9197 1.4942 C.2 1 noname 0.0118 7 N2 8.5203 -0.6167 0.9001 N.2 1 noname -0.2431 8 C5 6.3413 -5.2696 -0.1286 C.2 1 noname 0.0868 9 C6 9.0752 -1.6016 1.6432 C.2 1 noname -0.0013 10 O1 5.5823 -4.7495 -0.9755 O.2 1 noname -0.2773 11 C7 6.2213 -6.6634 0.1043 C.2 1 noname -0.0051 12 C8 5.6572 -7.5124 -0.8735 C.2 1 noname 0.0035 13 C9 6.6462 -7.2404 1.3193 C.2 1 noname -0.0089 14 C10 5.5042 -8.9003 -0.6564 C.2 1 noname -0.0156 15 C11 6.5141 -8.6183 1.5444 C.2 1 noname -0.0322 16 C12 4.9022 -9.6742 -1.6774 C.2 1 noname -0.0212 17 C13 5.9481 -9.4642 0.5694 C.2 1 noname -0.0128 18 C14 3.6691 -10.3252 -1.4563 C.2 1 noname 0.0088 19 C15 5.5151 -9.7932 -2.9423 C.2 1 noname -0.0205 20 C16 5.8611 -10.9121 0.8655 C.3 1 noname 0.0185 21 C17 3.0501 -11.1011 -2.4622 C.2 1 noname 0.0015 22 C18 4.9171 -10.5611 -3.9532 C.2 1 noname -0.0380 23 N3 6.6740 -11.6881 -0.0753 N.3 1 noname -0.3264 24 C19 1.8371 -11.7260 -2.2212 C.2 1 noname 0.0891 25 C20 3.6960 -11.2110 -3.7141 C.2 1 noname -0.0036 26 O2 1.3101 -12.4250 -3.0781 O.2 1 noname -0.2580 27 O3 1.2351 -11.5810 -1.0372 O.3 1 noname -0.2035 28 C21 -0.0908 -12.0669 -0.8121 C.3 1 noname 0.0910 29 C22 -0.3879 -11.9749 0.6918 C.3 1 noname 0.0736 30 C23 -1.1218 -11.2259 -1.5871 C.3 1 noname -0.0216 31 O4 -1.7359 -12.3628 0.9508 O.3 1 noname -0.3786 32 C24 -2.5468 -11.6708 -1.2240 C.3 1 noname -0.0270 33 C25 -2.7469 -11.5988 0.2969 C.3 1 noname 0.0469 34 H1 7.1443 -0.0747 -0.5297 H 1 noname 0.0871 35 H2 7.7913 -5.0895 1.1832 H 1 noname 0.1375 36 H3 9.0453 -3.6576 2.0592 H 1 noname 0.0656 37 H4 9.8191 -1.3846 2.3062 H 1 noname 0.0839 38 H5 5.3402 -7.1064 -1.7574 H 1 noname 0.0637 39 H6 7.0521 -6.6614 2.0554 H 1 noname 0.0630 40 H7 6.8391 -9.0082 2.4304 H 1 noname 0.0626 41 H8 3.2111 -10.2271 -0.5483 H 1 noname 0.0637 42 H9 6.4040 -9.3262 -3.1322 H 1 noname 0.0629 43 H10 6.2250 -11.1281 1.8725 H 1 noname 0.0476 44 H11 4.8251 -11.2451 0.8105 H 1 noname 0.0476 45 H12 5.3700 -10.6461 -4.8641 H 1 noname 0.0623 46 H13 6.2760 -11.5430 -1.0053 H 1 noname 0.1187 47 H14 6.5320 -12.6740 0.1546 H 1 noname 0.1187 48 H15 3.2760 -11.7650 -4.4611 H 1 noname 0.0631 49 H16 -0.1649 -13.1118 -1.1181 H 1 noname 0.0634 50 H17 -0.2299 -10.9509 1.0358 H 1 noname 0.0593 51 H18 0.2870 -12.6378 1.2328 H 1 noname 0.0593 52 H19 -0.9959 -10.1729 -1.3330 H 1 noname 0.0295 53 H20 -0.9709 -11.3529 -2.6590 H 1 noname 0.0295 54 H21 -2.6999 -12.6978 -1.5570 H 1 noname 0.0291 55 H22 -3.2699 -11.0228 -1.7180 H 1 noname 0.0291 56 H23 -2.6939 -10.5598 0.6259 H 1 noname 0.0566 57 H24 -3.7269 -12.0037 0.5529 H 1 noname 0.0566 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 34 1 8 5 8 1 9 5 35 1 10 6 9 2 11 6 36 1 12 7 9 1 13 8 10 2 14 8 11 1 15 9 37 1 16 11 12 2 17 11 13 1 18 12 14 1 19 12 38 1 20 13 15 2 21 13 39 1 22 14 16 1 23 14 17 2 24 15 17 1 25 15 40 1 26 16 18 2 27 16 19 1 28 17 20 1 29 18 21 1 30 18 41 1 31 19 22 2 32 19 42 1 33 20 23 1 34 20 43 1 35 20 44 1 36 21 24 1 37 21 25 2 38 22 25 1 39 22 45 1 40 23 46 1 41 23 47 1 42 24 26 2 43 24 27 1 44 25 48 1 45 27 28 1 46 28 29 1 47 28 30 1 48 28 49 1 49 29 31 1 50 29 50 1 51 29 51 1 52 30 32 1 53 30 52 1 54 30 53 1 55 31 33 1 56 32 33 1 57 32 54 1 58 32 55 1 59 33 56 1 60 33 57 1 @SUBSTRUCTURE 1 noname 1