@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446459 37 40 1 SMALL USER_CHARGES @ATOM 1 O1 5.1062 -11.1885 2.2479 O.3 1 noname -0.3294 2 C1 5.6262 -10.1784 1.5179 C.2 1 noname 0.1013 3 C2 3.8171 -10.8514 2.4869 C.2 1 noname 0.0851 4 C3 6.9422 -10.1043 1.0429 C.2 1 noname -0.0762 5 C4 4.6221 -9.2363 1.3299 C.2 1 noname 0.0609 6 N1 3.5071 -9.6673 1.9349 N.2 1 noname -0.1916 7 N2 7.4583 -9.0962 0.3099 N.3 1 noname -0.0090 8 C5 7.9402 -11.0593 1.2459 C.2 1 noname -0.0082 9 C6 8.7443 -9.3602 0.0329 C.2 1 noname 0.0374 10 C7 9.0743 -10.5823 0.6059 C.2 1 noname -0.0566 11 C8 9.6863 -8.6171 -0.6920 C.2 1 noname -0.0191 12 C9 10.3693 -11.0973 0.4670 C.2 1 noname 0.0032 13 C10 10.9843 -9.1531 -0.8149 C.2 1 noname 0.0279 14 N3 11.2683 -10.3602 -0.2389 N.2 1 noname -0.2861 15 N4 11.9113 -8.4500 -1.5129 N.3 1 noname 0.0102 16 C11 13.1934 -8.8440 -1.7129 C.2 1 noname -0.0039 17 C12 14.1084 -8.9850 -0.6448 C.2 1 noname -0.0029 18 C13 13.6144 -9.0770 -3.0360 C.2 1 noname -0.0495 19 O2 13.6643 -8.7080 0.6202 O.3 1 noname -0.2742 20 C14 15.4334 -9.3860 -0.9218 C.2 1 noname -0.0331 21 C15 14.9344 -9.4760 -3.3009 C.2 1 noname -0.0737 22 C16 14.4733 -8.8929 1.7853 C.3 1 noname 0.0424 23 C17 15.8434 -9.6330 -2.2428 C.2 1 noname -0.0741 24 H1 3.1630 -11.4264 3.0190 H 1 noname 0.1124 25 H2 4.7131 -8.3592 0.8159 H 1 noname 0.0869 26 H3 6.9752 -8.3041 0.0269 H 1 noname 0.1528 27 H4 7.8542 -11.9363 1.7630 H 1 noname 0.0650 28 H5 9.4382 -7.7200 -1.1120 H 1 noname 0.0676 29 H6 10.6323 -11.9933 0.8791 H 1 noname 0.0847 30 H7 11.6273 -7.6239 -1.9329 H 1 noname 0.1358 31 H8 12.9573 -8.9640 -3.8090 H 1 noname 0.0640 32 H9 16.1074 -9.4970 -0.1647 H 1 noname 0.0650 33 H10 15.2323 -9.6499 -4.2609 H 1 noname 0.0623 34 H11 13.8872 -8.6269 2.6644 H 1 noname 0.0535 35 H12 14.7803 -9.9369 1.8693 H 1 noname 0.0535 36 H13 15.3543 -8.2518 1.7413 H 1 noname 0.0535 37 H14 16.8034 -9.9230 -2.4338 H 1 noname 0.0623 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 2 5 3 6 2 6 3 24 1 7 4 7 1 8 4 8 2 9 5 6 1 10 5 25 1 11 7 9 1 12 7 26 1 13 8 10 1 14 8 27 1 15 9 11 1 16 9 10 2 17 10 12 1 18 11 13 2 19 11 28 1 20 12 14 2 21 12 29 1 22 13 15 1 23 13 14 1 24 15 16 1 25 15 30 1 26 16 17 2 27 16 18 1 28 17 19 1 29 17 20 1 30 18 21 2 31 18 31 1 32 19 22 1 33 20 23 2 34 20 32 1 35 21 23 1 36 21 33 1 37 22 34 1 38 22 35 1 39 22 36 1 40 23 37 1 @SUBSTRUCTURE 1 noname 1