@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3312 32 34 1 SMALL USER_CHARGES @ATOM 1 F1 7.7375 4.3417 -0.7805 F 1 noname -0.1661 2 C1 6.5194 4.7648 -1.2555 C.3 1 noname 0.4161 3 F2 6.1823 3.9288 -2.2954 F 1 noname -0.1661 4 F3 6.6734 6.0228 -1.7865 F 1 noname -0.1661 5 C2 5.5233 4.7938 -0.1514 C.2 1 noname -0.0115 6 C3 4.3362 4.0258 -0.1824 C.2 1 noname -0.0239 7 C4 5.7563 5.6159 0.9736 C.2 1 noname -0.0485 8 C5 3.4102 4.0609 0.8816 C.2 1 noname -0.0219 9 C6 4.8343 5.6719 2.0306 C.2 1 noname -0.0534 10 N1 2.2491 3.3579 0.8726 N.3 1 noname 0.0083 11 C7 3.6621 4.9009 1.9807 C.2 1 noname -0.0552 12 C8 2.0911 2.0529 0.5156 C.2 1 noname 0.0583 13 N2 3.1541 1.2979 0.1347 N.2 1 noname -0.2177 14 C9 0.8130 1.4569 0.5517 C.2 1 noname 0.0028 15 C10 3.0390 -0.0030 -0.2192 C.2 1 noname 0.0594 16 C11 0.7139 0.0949 0.1767 C.2 1 noname 0.0249 17 C12 -0.3660 2.1289 0.9317 C.2 1 noname 0.0256 18 N3 1.8209 -0.5890 -0.1942 N.2 1 noname -0.2357 19 C13 -0.5300 -0.5570 0.1868 C.2 1 noname 0.0085 20 N4 -1.5500 1.4680 0.9288 N.2 1 noname -0.2577 21 C14 -1.6691 0.1660 0.5738 C.2 1 noname 0.0377 22 N5 -2.8762 -0.4129 0.5958 N.3 1 noname -0.1172 23 H1 4.1392 3.4359 -0.9914 H 1 noname 0.0645 24 H2 6.6053 6.1810 1.0226 H 1 noname 0.0628 25 H3 5.0142 6.2750 2.8347 H 1 noname 0.0623 26 H4 1.4610 3.8239 1.1937 H 1 noname 0.1357 27 H5 2.9951 4.9500 2.7518 H 1 noname 0.0639 28 H6 3.8630 -0.5350 -0.5012 H 1 noname 0.1062 29 H7 -0.3440 3.1110 1.2088 H 1 noname 0.0848 30 H8 -0.6030 -1.5390 -0.0831 H 1 noname 0.0679 31 H9 -2.9762 -1.3429 0.3438 H 1 noname 0.1257 32 H10 -3.6512 0.1040 0.8659 H 1 noname 0.1257 @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 23 1 9 7 9 2 10 7 24 1 11 8 10 1 12 8 11 2 13 9 11 1 14 9 25 1 15 10 12 1 16 10 26 1 17 11 27 1 18 12 13 2 19 12 14 1 20 13 15 1 21 14 16 1 22 14 17 2 23 15 18 2 24 15 28 1 25 16 19 2 26 16 18 1 27 17 20 1 28 17 29 1 29 19 21 1 30 19 30 1 31 20 21 2 32 21 22 1 33 22 31 1 34 22 32 1 @SUBSTRUCTURE 1 noname 1