@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3862 28 30 1 SMALL USER_CHARGES @ATOM 1 O1 -5.1098 2.6825 1.0377 O.2 1 noname -0.2596 2 C1 -3.9168 2.8775 0.7138 C.2 1 noname 0.0854 3 O2 -3.5668 4.1476 0.4128 O.3 1 noname -0.2190 4 C2 -2.9767 1.8245 0.6658 C.2 1 noname 0.0077 5 C3 -1.6347 2.0825 0.2948 C.2 1 noname 0.0156 6 C4 -3.3588 0.4965 0.9838 C.2 1 noname 0.0027 7 C5 -0.7047 1.0245 0.2589 C.2 1 noname -0.0281 8 C6 -2.4308 -0.5614 0.9299 C.2 1 noname 0.0040 9 N1 0.6072 0.9775 -0.0550 N.3 1 noname 0.0114 10 C7 -1.1108 -0.2724 0.5609 C.2 1 noname 0.0238 11 C8 1.4492 2.0036 -0.4010 C.2 1 noname -0.0232 12 C9 0.9592 -0.3254 0.0439 C.2 1 noname -0.0254 13 N2 -0.0718 -1.1024 0.4240 N.2 1 noname -0.2258 14 C10 2.4062 1.8347 -1.4290 C.2 1 noname -0.0525 15 C11 1.4052 3.2467 0.2720 C.2 1 noname -0.0525 16 C12 3.2782 2.8777 -1.7840 C.2 1 noname -0.0615 17 C13 2.2762 4.2918 -0.0809 C.2 1 noname -0.0615 18 C14 3.2122 4.1078 -1.1099 C.2 1 noname -0.0829 19 H1 -4.3079 4.7847 0.4839 H 1 noname 0.2216 20 H2 -1.3397 3.0276 0.0478 H 1 noname 0.0651 21 H3 -4.3229 0.2895 1.2519 H 1 noname 0.0631 22 H4 -2.7138 -1.5165 1.1519 H 1 noname 0.0646 23 H5 1.8982 -0.6874 -0.1310 H 1 noname 0.1019 24 H6 2.4642 0.9487 -1.9320 H 1 noname 0.0642 25 H7 0.7461 3.3917 1.0370 H 1 noname 0.0642 26 H8 3.9592 2.7417 -2.5310 H 1 noname 0.0623 27 H9 2.2312 5.1819 0.4160 H 1 noname 0.0623 28 H10 3.8452 4.8659 -1.3659 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 19 1 5 4 5 2 6 4 6 1 7 5 7 1 8 5 20 1 9 6 8 2 10 6 21 1 11 7 9 1 12 7 10 2 13 8 10 1 14 8 22 1 15 9 11 1 16 9 12 1 17 10 13 1 18 11 14 2 19 11 15 1 20 12 13 2 21 12 23 1 22 14 16 1 23 14 24 1 24 15 17 2 25 15 25 1 26 16 18 2 27 16 26 1 28 17 18 1 29 17 27 1 30 18 28 1 @SUBSTRUCTURE 1 noname 1