@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445508 29 31 1 SMALL USER_CHARGES @ATOM 1 F1 28.0134 0.6146 3.7801 F 1 noname -0.1636 2 C1 27.3184 1.0847 2.7802 C.2 1 noname 0.0304 3 C2 26.7503 0.2258 1.8073 C.2 1 noname 0.0030 4 C3 27.1493 2.4777 2.6933 C.2 1 noname -0.0066 5 C4 26.0123 0.8068 0.7503 C.2 1 noname -0.0371 6 C5 26.9253 -1.2530 1.8803 C.3 1 noname 0.0742 7 C6 26.4123 3.0347 1.6363 C.2 1 noname -0.0449 8 C7 25.8433 2.1977 0.6644 C.2 1 noname -0.0622 9 C8 25.6583 -1.9439 2.0483 C.2 1 noname 0.1092 10 C9 27.6972 -1.8159 0.6644 C.3 1 noname 0.0677 11 O1 25.1483 -1.9159 3.1603 O.2 1 noname -0.2916 12 C10 25.0093 -2.5639 0.9894 C.2 1 noname 0.0081 13 O2 26.8442 -1.9909 -0.4714 O.3 1 noname -0.2672 14 C11 25.6292 -2.5778 -0.2814 C.2 1 noname 0.0372 15 C12 23.7443 -3.1738 1.1375 C.2 1 noname -0.0114 16 C13 24.9852 -3.1698 -1.3813 C.2 1 noname -0.0191 17 C14 23.1073 -3.7767 0.0396 C.2 1 noname -0.0605 18 C15 23.7262 -3.7717 -1.2212 C.2 1 noname -0.0333 19 H1 27.5623 3.0907 3.3973 H 1 noname 0.0653 20 H2 25.5923 0.2158 0.0344 H 1 noname 0.0626 21 H3 27.5312 -1.5040 2.7523 H 1 noname 0.0462 22 H4 26.2913 4.0467 1.5744 H 1 noname 0.0623 23 H5 25.3063 2.6008 -0.1044 H 1 noname 0.0622 24 H6 28.1102 -2.7899 0.9364 H 1 noname 0.0583 25 H7 28.5272 -1.1579 0.3995 H 1 noname 0.0583 26 H8 23.2793 -3.1777 2.0465 H 1 noname 0.0631 27 H9 25.4342 -3.1657 -2.2982 H 1 noname 0.0650 28 H10 22.1933 -4.2146 0.1576 H 1 noname 0.0622 29 H11 23.2622 -4.2046 -2.0192 H 1 noname 0.0623 @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 19 1 8 5 8 2 9 5 20 1 10 6 9 1 11 6 10 1 12 6 21 1 13 7 8 1 14 7 22 1 15 8 23 1 16 9 11 2 17 9 12 1 18 10 13 1 19 10 24 1 20 10 25 1 21 12 14 2 22 12 15 1 23 13 14 1 24 14 16 1 25 15 17 2 26 15 26 1 27 16 18 2 28 16 27 1 29 17 18 1 30 17 28 1 31 18 29 1 @SUBSTRUCTURE 1 noname 1