@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3524 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 -4.6452 0.3435 -1.8046 O.2 1 noname -0.1444 2 N1 -3.6583 -0.2403 -1.4396 N.2 1 noname -0.0120 3 O2 -3.6013 -1.4133 -1.7155 O.3 1 noname -0.1444 4 C1 -2.6573 0.3906 -0.7536 C.2 1 noname 0.0534 5 C2 -1.5144 -0.3183 -0.3205 C.2 1 noname 0.0653 6 C3 -2.7354 1.7706 -0.4595 C.2 1 noname 0.0260 7 C4 -0.4825 0.3257 0.3834 C.2 1 noname 0.0568 8 C5 -1.7095 2.4256 0.2424 C.2 1 noname 0.0038 9 N2 0.5953 -0.3872 0.7845 N.2 1 noname -0.2204 10 C6 -0.5725 1.7097 0.6715 C.2 1 noname 0.0198 11 C7 1.6103 0.1887 1.4645 C.2 1 noname 0.0552 12 C8 0.5013 2.2927 1.3795 C.2 1 noname 0.0519 13 N3 1.5472 1.5087 1.7505 N.2 1 noname -0.2105 14 N4 0.4763 3.6177 1.6975 N.3 1 noname 0.0053 15 C9 1.4332 4.3087 2.3706 C.2 1 noname -0.0315 16 C10 1.0152 5.2188 3.3606 C.2 1 noname -0.0581 17 C11 2.8101 4.1928 2.0826 C.2 1 noname -0.0581 18 C12 1.9571 5.9808 4.0737 C.2 1 noname -0.0630 19 C13 3.7531 4.9548 2.7946 C.2 1 noname -0.0630 20 C14 3.3271 5.8468 3.7917 C.2 1 noname -0.0830 21 H1 -1.4335 -1.3172 -0.5194 H 1 noname 0.0670 22 H2 -3.5494 2.3076 -0.7604 H 1 noname 0.0647 23 H3 -1.8005 3.4236 0.4345 H 1 noname 0.0631 24 H4 2.4152 -0.3641 1.7595 H 1 noname 0.1062 25 H5 -0.3227 4.1107 1.4576 H 1 noname 0.1357 26 H6 0.0212 5.3248 3.5707 H 1 noname 0.0639 27 H7 3.1311 3.5579 1.3517 H 1 noname 0.0639 28 H8 1.6451 6.6328 4.7937 H 1 noname 0.0623 29 H9 4.7470 4.8619 2.5847 H 1 noname 0.0623 30 H10 4.0110 6.3999 4.3097 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 5 21 1 8 6 8 2 9 6 22 1 10 7 9 2 11 7 10 1 12 8 10 1 13 8 23 1 14 9 11 1 15 10 12 2 16 11 13 2 17 11 24 1 18 12 14 1 19 12 13 1 20 14 15 1 21 14 25 1 22 15 16 2 23 15 17 1 24 16 18 1 25 16 26 1 26 17 19 2 27 17 27 1 28 18 20 2 29 18 28 1 30 19 20 1 31 19 29 1 32 20 30 1 @SUBSTRUCTURE 1 noname 1