@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3752 32 35 1 SMALL USER_CHARGES @ATOM 1 N1 1.0408 0.5203 0.2601 N.2 1 noname -0.2568 2 C1 0.1458 1.3473 -0.3498 C.2 1 noname 0.0482 3 C2 1.3307 0.5863 1.5871 C.2 1 noname 0.0529 4 N2 -0.1242 1.2773 -1.6787 N.3 1 noname 0.0068 5 C3 -0.4872 2.3083 0.4552 C.2 1 noname -0.0181 6 N3 0.7197 1.5143 2.3681 N.2 1 noname -0.2466 7 C4 0.4216 0.4144 -2.5746 C.2 1 noname -0.0315 8 C5 -0.1742 2.3624 1.8121 C.2 1 noname 0.0935 9 C6 -1.4281 3.3083 0.2252 C.2 1 noname -0.0203 10 C7 0.6176 -0.9584 -2.3096 C.2 1 noname -0.0581 11 C8 0.7566 0.9204 -3.8455 C.2 1 noname -0.0581 12 N4 -0.8802 3.3444 2.3961 N.3 1 noname -0.0024 13 C9 -1.6452 3.9303 1.4592 C.2 1 noname -0.0811 14 C10 -2.1122 3.7313 -0.9286 C.2 1 noname -0.0343 15 C11 1.1665 -1.8013 -3.2905 C.2 1 noname -0.0630 16 C12 1.3055 0.0785 -4.8284 C.2 1 noname -0.0630 17 C13 -2.5492 4.9963 1.5832 C.2 1 noname -0.0436 18 C14 -3.0222 4.8013 -0.8126 C.2 1 noname -0.0531 19 C15 1.5135 -1.2833 -4.5494 C.2 1 noname -0.0830 20 C16 -3.2382 5.4293 0.4333 C.2 1 noname -0.0510 21 H1 2.0076 -0.0585 1.9951 H 1 noname 0.1062 22 H2 -0.7292 1.9423 -2.0366 H 1 noname 0.1357 23 H3 0.3566 -1.3493 -1.4046 H 1 noname 0.0639 24 H4 0.6055 1.9074 -4.0584 H 1 noname 0.0639 25 H5 -0.8433 3.5884 3.3332 H 1 noname 0.1543 26 H6 -1.9622 3.2804 -1.8295 H 1 noname 0.0629 27 H7 1.3105 -2.7922 -3.0894 H 1 noname 0.0623 28 H8 1.5505 0.4545 -5.7444 H 1 noname 0.0623 29 H9 -2.7042 5.4473 2.4852 H 1 noname 0.0642 30 H10 -3.5292 5.1253 -1.6365 H 1 noname 0.0622 31 H11 1.9114 -1.8953 -5.2623 H 1 noname 0.0622 32 H12 -3.9002 6.2033 0.5014 H 1 noname 0.0623 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 21 1 7 4 7 1 8 4 22 1 9 5 8 2 10 5 9 1 11 6 8 1 12 7 10 2 13 7 11 1 14 8 12 1 15 9 13 2 16 9 14 1 17 10 15 1 18 10 23 1 19 11 16 2 20 11 24 1 21 12 13 1 22 12 25 1 23 13 17 1 24 14 18 2 25 14 26 1 26 15 19 2 27 15 27 1 28 16 19 1 29 16 28 1 30 17 20 2 31 17 29 1 32 18 20 1 33 18 30 1 34 19 31 1 35 20 32 1 @SUBSTRUCTURE 1 noname 1