@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3726 32 34 1 SMALL USER_CHARGES @ATOM 1 N1 1.1279 1.2147 2.4305 N.2 1 noname -0.2180 2 C1 0.2409 2.1128 1.9256 C.2 1 noname 0.0599 3 C2 0.9389 -0.1221 2.3516 C.2 1 noname 0.0598 4 N2 0.4808 3.4467 2.0306 N.3 1 noname 0.0068 5 C3 -0.9290 1.6418 1.2916 C.2 1 noname 0.0179 6 N3 -0.1740 -0.5980 1.7487 N.2 1 noname -0.2373 7 C4 1.5678 3.9808 2.6317 C.2 1 noname -0.0335 8 C5 -1.1011 0.2369 1.2237 C.2 1 noname 0.0094 9 C6 -1.9120 2.4878 0.7377 C.2 1 noname -0.0029 10 C7 1.5617 4.2268 4.0187 C.2 1 noname -0.0634 11 C8 2.7017 4.3168 1.8697 C.2 1 noname -0.0668 12 C9 -2.2511 -0.2790 0.6047 C.2 1 noname 0.0385 13 C10 -3.0431 1.9159 0.1328 C.2 1 noname 0.0331 14 C11 2.6847 4.7989 4.6487 C.2 1 noname -0.0605 15 C12 3.8257 4.8848 2.4907 C.2 1 noname -0.0650 16 N4 -3.1751 0.5689 0.0848 N.2 1 noname -0.2528 17 N5 -4.0011 2.6859 -0.4001 N.3 1 noname -0.1182 18 C13 3.8166 5.1249 3.8758 C.2 1 noname -0.0880 19 C14 2.6576 5.0459 6.0977 C.3 1 noname -0.0017 20 H1 1.6288 -0.7640 2.7426 H 1 noname 0.1062 21 H2 -0.1661 4.0588 1.6487 H 1 noname 0.1357 22 H3 -1.8131 3.5038 0.7737 H 1 noname 0.0664 23 H4 0.7367 3.9869 4.5717 H 1 noname 0.0642 24 H5 2.7117 4.1449 0.8628 H 1 noname 0.0639 25 H6 -2.3951 -1.2869 0.5438 H 1 noname 0.0863 26 H7 4.6486 5.1239 1.9368 H 1 noname 0.0623 27 H8 -4.7751 2.2730 -0.8120 H 1 noname 0.1257 28 H9 -3.9222 3.6519 -0.3730 H 1 noname 0.1257 29 H10 4.6376 5.5389 4.3198 H 1 noname 0.0625 30 H11 3.5935 5.4940 6.4388 H 1 noname 0.0279 31 H12 1.8386 5.7250 6.3388 H 1 noname 0.0279 32 H13 2.5086 4.1040 6.6268 H 1 noname 0.0279 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 20 1 7 4 7 1 8 4 21 1 9 5 8 1 10 5 9 2 11 6 8 1 12 7 10 2 13 7 11 1 14 8 12 2 15 9 13 1 16 9 22 1 17 10 14 1 18 10 23 1 19 11 15 2 20 11 24 1 21 12 16 1 22 12 25 1 23 13 17 1 24 13 16 2 25 14 18 2 26 14 19 1 27 15 18 1 28 15 26 1 29 17 27 1 30 17 28 1 31 18 29 1 32 19 30 1 33 19 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1