@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3836 27 29 1 SMALL USER_CHARGES @ATOM 1 N1 -0.0867 -1.0412 0.4337 N.2 1 noname -0.2487 2 C1 0.9162 -0.2862 -0.0521 C.2 1 noname -0.0028 3 C2 -1.1328 -0.2162 0.5528 C.2 1 noname 0.0022 4 N2 0.5351 1.0008 -0.2421 N.3 1 noname -0.0239 5 N3 2.1361 -0.7952 -0.2791 N.3 1 noname -0.1019 6 C3 -0.7598 1.0588 0.1338 C.2 1 noname -0.0843 7 C4 -2.4318 -0.4922 1.0058 C.2 1 noname -0.0104 8 C5 1.3151 2.0218 -0.7190 C.2 1 noname -0.0226 9 C6 -1.6978 2.1098 0.1379 C.2 1 noname -0.0389 10 C7 -3.3718 0.5568 1.0229 C.2 1 noname -0.0438 11 C8 1.3601 3.2698 -0.0590 C.2 1 noname -0.0536 12 C9 2.1020 1.8448 -1.8790 C.2 1 noname -0.0536 13 C10 -3.0079 1.8499 0.5899 C.2 1 noname -0.0476 14 C11 2.1650 4.3139 -0.5459 C.2 1 noname -0.0614 15 C12 2.9080 2.8869 -2.3689 C.2 1 noname -0.0614 16 C13 2.9400 4.1229 -1.7019 C.2 1 noname -0.0843 17 H1 2.3071 -1.7331 -0.1011 H 1 noname 0.1271 18 H2 2.8461 -0.2261 -0.6140 H 1 noname 0.1271 19 H3 -2.6898 -1.4301 1.3129 H 1 noname 0.0645 20 H4 -1.4419 3.0429 -0.1830 H 1 noname 0.0643 21 H5 -4.3229 0.3808 1.3469 H 1 noname 0.0623 22 H6 0.8120 3.4199 0.7880 H 1 noname 0.0642 23 H7 2.0820 0.9559 -2.3789 H 1 noname 0.0642 24 H8 -3.6979 2.6009 0.6020 H 1 noname 0.0623 25 H9 2.1889 5.2099 -0.0589 H 1 noname 0.0623 26 H10 3.4689 2.7469 -3.2099 H 1 noname 0.0623 27 H11 3.5249 4.8800 -2.0558 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 1 8 4 6 1 9 5 17 1 10 5 18 1 11 6 9 1 12 7 10 2 13 7 19 1 14 8 11 2 15 8 12 1 16 9 13 2 17 9 20 1 18 10 13 1 19 10 21 1 20 11 14 1 21 11 22 1 22 12 15 2 23 12 23 1 24 13 24 1 25 14 16 2 26 14 25 1 27 15 16 1 28 15 26 1 29 16 27 1 @SUBSTRUCTURE 1 noname 1