@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3856 27 29 1 SMALL USER_CHARGES @ATOM 1 O1 -5.1151 -0.8656 1.5586 O.2 1 noname -0.3033 2 C1 -4.6982 0.2833 1.2906 C.2 1 noname 0.0901 3 C2 -3.3562 0.5273 0.9406 C.2 1 noname -0.0040 4 C3 -2.4123 -0.5255 0.8737 C.2 1 noname 0.0250 5 C4 -2.9403 1.8483 0.6437 C.2 1 noname -0.0104 6 C5 -1.0874 -0.2305 0.5217 C.2 1 noname 0.0231 7 C6 -1.6054 2.1284 0.2907 C.2 1 noname -0.0192 8 N1 -0.0475 -1.0594 0.3807 N.2 1 noname -0.2163 9 C7 -0.6765 1.0714 0.2458 C.2 1 noname -0.0346 10 C8 0.9873 -0.2784 0.0218 C.2 1 noname -0.0299 11 N2 0.6384 1.0265 -0.0601 N.3 1 noname -0.0158 12 C9 1.4813 2.0574 -0.3910 C.2 1 noname -0.0235 13 C10 2.4452 1.8975 -1.4139 C.2 1 noname -0.0546 14 C11 1.4283 3.2964 0.2869 C.2 1 noname -0.0546 15 C12 3.3152 2.9455 -1.7599 C.2 1 noname -0.0618 16 C13 2.2962 4.3475 -0.0570 C.2 1 noname -0.0618 17 C14 3.2381 4.1725 -1.0829 C.2 1 noname -0.0849 18 H1 -5.3622 1.0583 1.3316 H 1 noname 0.1098 19 H2 -2.6823 -1.4904 1.0727 H 1 noname 0.0653 20 H3 -3.6093 2.6193 0.6797 H 1 noname 0.0630 21 H4 -1.3265 3.0824 0.0668 H 1 noname 0.0643 22 H5 1.9263 -0.6393 -0.1521 H 1 noname 0.1019 23 H6 2.5112 1.0136 -1.9209 H 1 noname 0.0642 24 H7 0.7642 3.4355 1.0469 H 1 noname 0.0642 25 H8 4.0001 2.8156 -2.5038 H 1 noname 0.0623 26 H9 2.2422 5.2365 0.4409 H 1 noname 0.0623 27 H10 3.8680 4.9355 -1.3338 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 18 1 4 3 4 2 5 3 5 1 6 4 6 1 7 4 19 1 8 5 7 2 9 5 20 1 10 6 8 1 11 6 9 2 12 7 9 1 13 7 21 1 14 8 10 2 15 9 11 1 16 10 11 1 17 10 22 1 18 11 12 1 19 12 13 2 20 12 14 1 21 13 15 1 22 13 23 1 23 14 16 2 24 14 24 1 25 15 17 2 26 15 25 1 27 16 17 1 28 16 26 1 29 17 27 1 @SUBSTRUCTURE 1 noname 1