@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3503 28 30 1 SMALL USER_CHARGES @ATOM 1 F1 -2.9509 8.6095 5.8209 F 1 noname -0.1649 2 C1 -2.2339 7.8935 5.0029 C.2 1 noname 0.0207 3 C2 -2.8450 6.9025 4.2129 C.2 1 noname -0.0066 4 C3 -0.8469 8.1056 4.9120 C.2 1 noname -0.0307 5 C4 -2.0760 6.1255 3.3199 C.2 1 noname -0.0152 6 C5 -0.0739 7.3266 4.0360 C.2 1 noname -0.0467 7 N1 -2.6091 5.1355 2.5579 N.3 1 noname 0.0073 8 C6 -0.6860 6.3376 3.2480 C.2 1 noname -0.0602 9 C7 -3.7531 5.2035 1.8209 C.2 1 noname 0.0452 10 N2 -4.4832 6.3476 1.7750 N.2 1 noname -0.2333 11 C8 -4.1882 4.0835 1.0780 C.2 1 noname -0.0069 12 C9 -5.6193 6.4637 1.0510 C.2 1 noname 0.0494 13 C10 -5.3843 4.2296 0.3290 C.2 1 noname 0.0518 14 C11 -3.5042 2.8485 1.0490 C.2 1 noname -0.0209 15 N3 -6.0584 5.4037 0.3370 N.2 1 noname -0.2440 16 C12 -5.8794 3.1536 -0.4299 C.2 1 noname -0.0084 17 C13 -4.0043 1.7785 0.2880 C.2 1 noname -0.0521 18 C14 -5.1894 1.9296 -0.4498 C.2 1 noname -0.0368 19 H1 -3.8500 6.7435 4.2930 H 1 noname 0.0670 20 H2 -0.3989 8.8226 5.4840 H 1 noname 0.0653 21 H3 0.9340 7.4766 3.9740 H 1 noname 0.0624 22 H4 -2.1001 4.3125 2.5030 H 1 noname 0.1357 23 H5 -0.1150 5.7736 2.6170 H 1 noname 0.0639 24 H6 -6.1394 7.3408 1.0441 H 1 noname 0.1062 25 H7 -2.6412 2.7185 1.5800 H 1 noname 0.0630 26 H8 -6.7404 3.2596 -0.9679 H 1 noname 0.0645 27 H9 -3.5043 0.8885 0.2721 H 1 noname 0.0622 28 H10 -5.5504 1.1506 -1.0008 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 19 1 6 4 6 2 7 4 20 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 21 1 12 7 9 1 13 7 22 1 14 8 23 1 15 9 10 2 16 9 11 1 17 10 12 1 18 11 13 1 19 11 14 2 20 12 15 2 21 12 24 1 22 13 16 2 23 13 15 1 24 14 17 1 25 14 25 1 26 16 18 1 27 16 26 1 28 17 18 2 29 17 27 1 30 18 28 1 @SUBSTRUCTURE 1 noname 1