@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3519 30 32 1 SMALL USER_CHARGES @ATOM 1 F1 1.8187 5.5501 5.8108 F 1 noname -0.1649 2 C1 2.0487 5.3131 4.5498 C.2 1 noname 0.0207 3 C2 1.0956 4.6252 3.7778 C.2 1 noname -0.0066 4 C3 3.2506 5.7452 3.9609 C.2 1 noname -0.0307 5 C4 1.3426 4.3652 2.4159 C.2 1 noname -0.0152 6 C5 3.4976 5.4912 2.6009 C.2 1 noname -0.0467 7 N1 0.4205 3.7142 1.6719 N.3 1 noname 0.0070 8 C6 2.5445 4.8053 1.8279 C.2 1 noname -0.0602 9 C7 0.3674 2.3623 1.5309 C.2 1 noname 0.0395 10 N2 1.2844 1.5733 2.1500 N.2 1 noname -0.2556 11 C8 -0.6395 1.7603 0.7460 C.2 1 noname -0.0312 12 C9 1.2754 0.2243 2.0460 C.2 1 noname 0.0446 13 C10 -0.6285 0.3454 0.6560 C.2 1 noname 0.0517 14 C11 -1.6386 2.4864 0.0630 C.2 1 noname -0.0186 15 N3 0.3193 -0.3746 1.3011 N.2 1 noname -0.2652 16 C12 -1.6046 -0.3235 -0.1038 C.2 1 noname -0.0055 17 C13 -2.6116 1.8124 -0.6949 C.2 1 noname -0.0471 18 C14 -2.5977 0.4084 -0.7778 C.2 1 noname -0.0062 19 N4 -3.5297 -0.2324 -1.4998 N.3 1 noname -0.1519 20 H1 0.2225 4.3122 4.2049 H 1 noname 0.0670 21 H2 3.9456 6.2442 4.5179 H 1 noname 0.0653 22 H3 4.3696 5.8053 2.1729 H 1 noname 0.0624 23 H4 -0.2465 4.2483 1.2139 H 1 noname 0.1357 24 H5 2.7285 4.6233 0.8409 H 1 noname 0.0639 25 H6 1.9814 -0.3346 2.5251 H 1 noname 0.1062 26 H7 -1.6676 3.5054 0.1111 H 1 noname 0.0631 27 H8 -1.5916 -1.3425 -0.1638 H 1 noname 0.0662 28 H9 -3.3307 2.3475 -1.1838 H 1 noname 0.0639 29 H10 -4.2158 0.2705 -1.9657 H 1 noname 0.1242 30 H11 -3.5208 -1.2004 -1.5557 H 1 noname 0.1242 @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 8 1 11 6 22 1 12 7 9 1 13 7 23 1 14 8 24 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 25 1 22 13 16 2 23 13 15 1 24 14 17 1 25 14 26 1 26 16 18 1 27 16 27 1 28 17 18 2 29 17 28 1 30 18 19 1 31 19 29 1 32 19 30 1 @SUBSTRUCTURE 1 noname 1