@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3837 28 30 1 SMALL USER_CHARGES @ATOM 1 N1 0.0000 -1.0468 0.4360 N.2 1 noname -0.2307 2 C1 -1.0410 -0.2168 0.5741 C.2 1 noname 0.0070 3 C2 1.0159 -0.2858 -0.0078 C.2 1 noname -0.0411 4 C3 -2.3540 -0.4977 0.9991 C.2 1 noname -0.0077 5 C4 -0.6450 1.0681 0.2072 C.2 1 noname -0.0496 6 N2 0.6568 1.0112 -0.1478 N.3 1 noname -0.0228 7 C5 -3.2761 0.5702 1.0362 C.2 1 noname -0.0471 8 C6 -2.7760 -1.8517 1.3912 C.3 1 noname 0.0117 9 C7 -1.5721 2.1282 0.2282 C.2 1 noname -0.0376 10 C8 1.4828 2.0252 -0.5637 C.2 1 noname -0.0236 11 C9 -2.8901 1.8702 0.6502 C.2 1 noname -0.0481 12 C10 2.4047 1.8152 -1.6146 C.2 1 noname -0.0549 13 C11 1.4577 3.2942 0.0572 C.2 1 noname -0.0549 14 C12 3.2617 2.8433 -2.0426 C.2 1 noname -0.0619 15 C13 2.3127 4.3252 -0.3666 C.2 1 noname -0.0619 16 C14 3.2147 4.1003 -1.4186 C.2 1 noname -0.0852 17 H1 1.9498 -0.6527 -0.1978 H 1 noname 0.1019 18 H2 -4.2361 0.4012 1.3392 H 1 noname 0.0626 19 H3 -1.9511 -2.5606 1.3042 H 1 noname 0.0280 20 H4 -3.1221 -1.8416 2.4252 H 1 noname 0.0280 21 H5 -3.5901 -2.1816 0.7442 H 1 noname 0.0280 22 H6 -1.3031 3.0672 -0.0626 H 1 noname 0.0643 23 H7 -3.5711 2.6293 0.6743 H 1 noname 0.0623 24 H8 2.4487 0.9093 -2.0826 H 1 noname 0.0642 25 H9 0.8237 3.4702 0.8362 H 1 noname 0.0642 26 H10 3.9177 2.6773 -2.8066 H 1 noname 0.0623 27 H11 2.2817 5.2363 0.0923 H 1 noname 0.0623 28 H12 3.8377 4.8474 -1.7265 H 1 noname 0.0622 @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 8 1 9 5 9 2 10 5 6 1 11 6 10 1 12 7 11 2 13 7 18 1 14 8 19 1 15 8 20 1 16 8 21 1 17 9 11 1 18 9 22 1 19 10 12 2 20 10 13 1 21 11 23 1 22 12 14 1 23 12 24 1 24 13 15 2 25 13 25 1 26 14 16 2 27 14 26 1 28 15 16 1 29 15 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1