@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3274 27 29 1 SMALL USER_CHARGES @ATOM 1 Br1 6.3587 1.1460 -0.2643 Br 1 noname -0.0507 2 C1 4.8747 1.8880 0.5806 C.2 1 noname -0.0248 3 C2 3.6008 1.3160 0.4026 C.2 1 noname -0.0318 4 C3 5.0207 3.0249 1.3956 C.2 1 noname -0.0565 5 C4 2.4698 1.8660 1.0457 C.2 1 noname -0.0231 6 C5 3.8977 3.5889 2.0235 C.2 1 noname -0.0546 7 N1 1.2138 1.3731 0.8887 N.3 1 noname 0.0154 8 C6 2.6287 3.0140 1.8447 C.2 1 noname -0.0547 9 C7 0.8468 0.0612 0.8958 C.2 1 noname 0.0828 10 N2 1.7567 -0.9266 1.0828 N.2 1 noname -0.1596 11 C8 -0.5011 -0.3126 0.7218 C.2 1 noname 0.0129 12 N3 1.4277 -2.1874 1.0998 N.2 1 noname -0.1174 13 C9 -0.8031 -1.6955 0.7489 C.2 1 noname 0.0706 14 C10 -1.5501 0.6123 0.5239 C.2 1 noname -0.0124 15 N4 0.1967 -2.5844 0.9399 N.2 1 noname -0.1740 16 C11 -2.1251 -2.1424 0.5809 C.2 1 noname 0.0077 17 C12 -2.8711 0.1634 0.3569 C.2 1 noname -0.0432 18 C13 -3.1591 -1.2114 0.3850 C.2 1 noname -0.0292 19 H1 3.4907 0.4991 -0.2012 H 1 noname 0.0651 20 H2 5.9386 3.4510 1.5326 H 1 noname 0.0634 21 H3 4.0036 4.4179 2.6096 H 1 noname 0.0623 22 H4 0.5018 2.0261 0.8078 H 1 noname 0.1358 23 H5 1.8187 3.4331 2.3037 H 1 noname 0.0639 24 H6 -1.3611 1.6152 0.4999 H 1 noname 0.0630 25 H7 -2.3361 -3.1403 0.6020 H 1 noname 0.0646 26 H8 -3.6240 0.8374 0.2140 H 1 noname 0.0622 27 H9 -4.1191 -1.5344 0.2640 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 13 16 2 22 13 15 1 23 14 17 1 24 14 24 1 25 16 18 1 26 16 25 1 27 17 18 2 28 17 26 1 29 18 27 1 @SUBSTRUCTURE 1 noname 1