@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439055 28 29 1 SMALL USER_CHARGES @ATOM 1 F1 5.5701 -5.2213 1.8253 F 1 noname -0.1661 2 C1 6.1621 -6.3713 2.2973 C.3 1 noname 0.4168 3 F2 5.1470 -7.1323 2.8214 F 1 noname -0.1661 4 F3 6.9961 -5.9773 3.3164 F 1 noname -0.1661 5 C2 6.9261 -7.1443 1.2703 C.2 1 noname 0.0342 6 C3 7.5791 -8.3723 1.5804 C.2 1 noname 0.0231 7 C4 7.0171 -6.6633 -0.0586 C.2 1 noname -0.0114 8 C5 7.5501 -8.9393 2.8645 C.2 1 noname 0.0933 9 C6 8.2881 -9.0733 0.5813 C.2 1 noname -0.0048 10 C7 7.7251 -7.3663 -1.0466 C.2 1 noname -0.0313 11 O1 6.7010 -9.8303 3.0895 O.2 1 noname -0.2762 12 N1 8.4541 -8.5033 3.7806 N.3 1 noname -0.1361 13 C8 8.3610 -8.5723 -0.7256 C.2 1 noname -0.0432 14 C9 8.6360 -8.9002 5.0727 C.2 1 noname -0.0021 15 C10 7.8890 -9.8942 5.7447 C.2 1 noname -0.0020 16 C11 9.6671 -8.2442 5.7727 C.2 1 noname -0.0020 17 C12 8.1899 -10.2032 7.0808 C.2 1 noname 0.0044 18 C13 9.9320 -8.5862 7.1078 C.2 1 noname 0.0044 19 N2 9.1919 -9.5462 7.7139 N.2 1 noname -0.2556 20 H1 6.5630 -5.7882 -0.3206 H 1 noname 0.0629 21 H2 8.7560 -9.9563 0.7994 H 1 noname 0.0630 22 H3 7.7750 -6.9992 -1.9976 H 1 noname 0.0622 23 H4 9.0541 -7.8082 3.4696 H 1 noname 0.1374 24 H5 8.8760 -9.0852 -1.4426 H 1 noname 0.0622 25 H6 7.1339 -10.3972 5.2828 H 1 noname 0.0655 26 H7 10.2241 -7.5211 5.3167 H 1 noname 0.0655 27 H8 7.6569 -10.9192 7.5739 H 1 noname 0.0839 28 H9 10.6780 -8.1151 7.6198 H 1 noname 0.0839 @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 20 1 11 8 11 2 12 8 12 1 13 9 13 2 14 9 21 1 15 10 13 1 16 10 22 1 17 12 14 1 18 12 23 1 19 13 24 1 20 14 15 2 21 14 16 1 22 15 17 1 23 15 25 1 24 16 18 2 25 16 26 1 26 17 19 2 27 17 27 1 28 18 19 1 29 18 28 1 @SUBSTRUCTURE 1 noname 1