@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445505 29 31 1 SMALL USER_CHARGES @ATOM 1 F1 8.3338 -9.1258 8.5097 F 1 noname -0.1631 2 C1 7.9457 -9.3988 7.2967 C.2 1 noname 0.0409 3 C2 6.9797 -10.3938 7.0748 C.2 1 noname 0.0427 4 C3 8.4947 -8.6987 6.2078 C.2 1 noname -0.0036 5 C4 6.5636 -10.6878 5.7648 C.2 1 noname 0.0409 6 C5 8.0867 -8.9817 4.8868 C.2 1 noname -0.0165 7 F2 5.6685 -11.6118 5.5578 F 1 noname -0.1631 8 C6 7.1146 -9.9847 4.6798 C.2 1 noname -0.0036 9 C7 8.6846 -8.2276 3.7518 C.3 1 noname 0.0715 10 C8 7.6966 -7.4186 3.0588 C.2 1 noname 0.1091 11 C9 9.4276 -9.1466 2.7548 C.3 1 noname 0.0676 12 O1 7.3635 -6.3665 3.5869 O.2 1 noname -0.2916 13 C10 7.1035 -7.8345 1.8758 C.2 1 noname 0.0081 14 O2 8.5216 -9.7906 1.8528 O.3 1 noname -0.2672 15 C11 7.5375 -9.0415 1.2788 C.2 1 noname 0.0372 16 C12 6.0715 -7.0975 1.2528 C.2 1 noname -0.0114 17 C13 6.9354 -9.5075 0.0979 C.2 1 noname -0.0191 18 C14 5.4784 -7.5605 0.0658 C.2 1 noname -0.0605 19 C15 5.9084 -8.7665 -0.5100 C.2 1 noname -0.0333 20 H1 6.5796 -10.9037 7.8648 H 1 noname 0.0684 21 H2 9.1967 -7.9767 6.3778 H 1 noname 0.0656 22 H3 6.8045 -10.2067 3.7338 H 1 noname 0.0656 23 H4 9.4376 -7.5396 4.1428 H 1 noname 0.0461 24 H5 10.0076 -9.9016 3.2879 H 1 noname 0.0583 25 H6 10.1196 -8.5376 2.1698 H 1 noname 0.0583 26 H7 5.7454 -6.2224 1.6649 H 1 noname 0.0631 27 H8 7.2454 -10.3855 -0.3210 H 1 noname 0.0650 28 H9 4.7324 -7.0214 -0.3750 H 1 noname 0.0622 29 H10 5.4743 -9.1054 -1.3700 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 20 1 6 4 6 2 7 4 21 1 8 5 7 1 9 5 8 2 10 6 9 1 11 6 8 1 12 8 22 1 13 9 10 1 14 9 11 1 15 9 23 1 16 10 12 2 17 10 13 1 18 11 14 1 19 11 24 1 20 11 25 1 21 13 15 2 22 13 16 1 23 14 15 1 24 15 17 1 25 16 18 2 26 16 26 1 27 17 19 2 28 17 27 1 29 18 19 1 30 18 28 1 31 19 29 1 @SUBSTRUCTURE 1 noname 1