@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3790 31 33 1 SMALL USER_CHARGES @ATOM 1 N1 -0.6134 2.0164 3.7722 N.2 1 noname -0.2353 2 C1 0.6175 2.0265 4.1403 C.2 1 noname 0.0150 3 C2 -1.2504 1.5495 2.7082 C.2 1 noname -0.0161 4 C3 0.8995 2.6466 5.3423 C.2 1 noname -0.0324 5 C4 1.6895 1.4745 3.3393 C.3 1 noname 0.0032 6 C5 -0.7485 0.6285 1.7503 C.2 1 noname 0.0038 7 C6 -2.5635 2.0415 2.5603 C.2 1 noname -0.0245 8 C7 1.8564 3.6817 5.4074 C.2 1 noname -0.0369 9 C8 0.2334 2.2556 6.5244 C.2 1 noname -0.0369 10 C9 1.3504 0.0485 2.8933 C.3 1 noname 0.0056 11 N2 0.4844 0.0685 1.7743 N.3 1 noname -0.1331 12 C10 -1.5605 0.2465 0.6633 C.2 1 noname -0.0578 13 C11 -3.3655 1.6505 1.4773 C.2 1 noname -0.0810 14 C12 2.1434 4.3137 6.6295 C.2 1 noname -0.0543 15 C13 0.5204 2.8876 7.7475 C.2 1 noname -0.0543 16 C14 -2.8626 0.7526 0.5253 C.2 1 noname -0.0614 17 C15 1.4744 3.9168 7.7995 C.2 1 noname -0.0535 18 H1 1.8544 2.1076 2.4663 H 1 noname 0.0345 19 H2 2.6185 1.4306 3.9124 H 1 noname 0.0345 20 H3 -2.9415 2.6986 3.2443 H 1 noname 0.0645 21 H4 2.3464 3.9817 4.5634 H 1 noname 0.0629 22 H5 -0.4626 1.5086 6.4985 H 1 noname 0.0629 23 H6 0.8984 -0.5123 3.7134 H 1 noname 0.0436 24 H7 2.2714 -0.4533 2.5963 H 1 noname 0.0436 25 H8 0.7874 -0.3813 0.9713 H 1 noname 0.1281 26 H9 -1.2075 -0.4104 -0.0336 H 1 noname 0.0640 27 H10 -4.3116 2.0206 1.3823 H 1 noname 0.0623 28 H11 2.8354 5.0618 6.6675 H 1 noname 0.0622 29 H12 0.0343 2.5987 8.5965 H 1 noname 0.0622 30 H13 -3.4416 0.4676 -0.2645 H 1 noname 0.0623 31 H14 1.6814 4.3758 8.6866 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 7 1 7 4 8 2 8 4 9 1 9 5 10 1 10 5 18 1 11 5 19 1 12 6 11 1 13 6 12 1 14 7 13 2 15 7 20 1 16 8 14 1 17 8 21 1 18 9 15 2 19 9 22 1 20 10 11 1 21 10 23 1 22 10 24 1 23 11 25 1 24 12 16 2 25 12 26 1 26 13 16 1 27 13 27 1 28 14 17 2 29 14 28 1 30 15 17 1 31 15 29 1 32 16 30 1 33 17 31 1 @SUBSTRUCTURE 1 noname 1