@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3808 28 30 1 SMALL USER_CHARGES @ATOM 1 N1 -0.0872 -1.1341 0.3488 N.2 1 noname -0.2288 2 C1 -1.1102 -0.2900 0.5219 C.2 1 noname 0.0113 3 C2 0.9517 -0.3651 -0.0250 C.2 1 noname -0.0322 4 C3 -0.6853 1.0089 0.2489 C.2 1 noname -0.0474 5 C4 -2.4323 -0.5690 0.9019 C.2 1 noname -0.0105 6 N2 0.6217 0.9459 -0.0860 N.3 1 noname -0.0175 7 C5 -1.5953 2.0820 0.3269 C.2 1 noname -0.0304 8 C6 -3.3413 0.5019 0.9959 C.2 1 noname -0.0439 9 C7 1.4776 1.9660 -0.4200 C.2 1 noname -0.0256 10 C8 -2.9264 1.8190 0.7080 C.2 1 noname -0.0469 11 C9 1.4656 3.1931 0.2800 C.2 1 noname -0.0600 12 C10 2.4176 1.8020 -1.4630 C.2 1 noname -0.0634 13 C11 2.3516 4.2371 -0.0529 C.2 1 noname -0.0594 14 C12 3.3055 2.8361 -1.8039 C.2 1 noname -0.0638 15 C13 3.2705 4.0502 -1.1019 C.2 1 noname -0.0900 16 C14 2.3335 5.5112 0.6811 C.3 1 noname -0.0014 17 H1 1.8817 -0.7390 -0.2220 H 1 noname 0.1019 18 H2 -2.7263 -1.5250 1.1029 H 1 noname 0.0645 19 H3 -1.3054 3.0340 0.1080 H 1 noname 0.0643 20 H4 -4.3084 0.3230 1.2700 H 1 noname 0.0623 21 H5 -3.5964 2.5860 0.7720 H 1 noname 0.0623 22 H6 0.8155 3.3251 1.0550 H 1 noname 0.0645 23 H7 2.4535 0.9271 -1.9869 H 1 noname 0.0642 24 H8 3.9755 2.7031 -2.5619 H 1 noname 0.0623 25 H9 3.9185 4.7982 -1.3539 H 1 noname 0.0625 26 H10 1.5745 5.5052 1.4641 H 1 noname 0.0279 27 H11 3.3085 5.6823 1.1401 H 1 noname 0.0279 28 H12 2.1175 6.3282 -0.0098 H 1 noname 0.0279 @BOND 1 1 2 1 2 1 3 2 3 2 4 2 4 2 5 1 5 3 6 1 6 3 17 1 7 4 7 1 8 4 6 1 9 5 8 2 10 5 18 1 11 6 9 1 12 7 10 2 13 7 19 1 14 8 10 1 15 8 20 1 16 9 11 2 17 9 12 1 18 10 21 1 19 11 13 1 20 11 22 1 21 12 14 2 22 12 23 1 23 13 15 2 24 13 16 1 25 14 15 1 26 14 24 1 27 15 25 1 28 16 26 1 29 16 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1