@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3598 30 32 1 SMALL USER_CHARGES @ATOM 1 N1 -3.6627 6.1097 1.7429 N.2 1 noname -0.2268 2 C1 -3.1246 4.8786 1.9350 C.2 1 noname 0.0565 3 C2 -4.5917 6.3537 0.7909 C.2 1 noname 0.0587 4 N2 -2.2006 4.7046 2.9091 N.3 1 noname -0.0988 5 C3 -3.5397 3.8026 1.1230 C.2 1 noname 0.0163 6 N3 -5.0098 5.3407 -0.0030 N.2 1 noname -0.2377 7 C4 -1.7566 5.7567 3.7572 C.3 1 noname 0.0265 8 C5 -4.5148 4.0877 0.1359 C.2 1 noname 0.0405 9 C6 -3.0397 2.4895 1.2480 C.2 1 noname 0.0070 10 C7 -0.7796 5.2447 4.7343 C.2 1 noname -0.0486 11 C8 -4.9619 3.0486 -0.6980 C.2 1 noname 0.0444 12 C9 -3.5238 1.4905 0.3880 C.2 1 noname 0.0081 13 C10 -1.1716 4.2787 5.6844 C.2 1 noname -0.0531 14 C11 0.5514 5.7118 4.7393 C.2 1 noname -0.0531 15 N4 -4.4579 1.7986 -0.5459 N.2 1 noname -0.2389 16 C12 -0.2476 3.7847 6.6215 C.2 1 noname -0.0594 17 C13 1.4764 5.2178 5.6755 C.2 1 noname -0.0594 18 C14 1.0773 4.2538 6.6165 C.2 1 noname -0.0613 19 H1 -4.9748 7.2919 0.6729 H 1 noname 0.1062 20 H2 -1.8247 3.8206 3.0382 H 1 noname 0.1300 21 H3 -2.6077 6.1808 4.2953 H 1 noname 0.0482 22 H4 -1.3106 6.5418 3.1422 H 1 noname 0.0482 23 H5 -2.3367 2.2556 1.9501 H 1 noname 0.0647 24 H6 -5.6640 3.2307 -1.4160 H 1 noname 0.0862 25 H7 -3.1738 0.5354 0.4650 H 1 noname 0.0839 26 H8 -2.1318 3.9347 5.6954 H 1 noname 0.0626 27 H9 0.8504 6.4129 4.0593 H 1 noname 0.0626 28 H10 -0.5377 3.0847 7.3046 H 1 noname 0.0622 29 H11 2.4374 5.5599 5.6725 H 1 noname 0.0622 30 H12 1.7483 3.8948 7.2956 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 19 1 7 4 7 1 8 4 20 1 9 5 8 1 10 5 9 2 11 6 8 1 12 7 10 1 13 7 21 1 14 7 22 1 15 8 11 2 16 9 12 1 17 9 23 1 18 10 13 2 19 10 14 1 20 11 15 1 21 11 24 1 22 12 15 2 23 12 25 1 24 13 16 1 25 13 26 1 26 14 17 2 27 14 27 1 28 16 18 2 29 16 28 1 30 17 18 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1