@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3805 27 29 1 SMALL USER_CHARGES @ATOM 1 O1 3.6449 0.7802 -3.1236 O.2 1 noname -0.3018 2 C1 2.7088 0.8573 -2.2946 C.2 1 noname 0.0921 3 C2 2.5538 1.9613 -1.4216 C.2 1 noname -0.0185 4 C3 1.4948 2.0533 -0.4635 C.2 1 noname 0.0136 5 C4 3.4427 3.0513 -1.5835 C.2 1 noname -0.0225 6 N1 0.6508 1.0063 -0.1255 N.3 1 noname -0.0172 7 C5 1.3437 3.2763 0.2374 C.2 1 noname -0.0436 8 C6 3.2767 4.2393 -0.8585 C.2 1 noname -0.0736 9 C7 -0.6571 1.0384 0.2294 C.2 1 noname -0.0472 10 C8 1.0077 -0.2955 -0.0045 C.2 1 noname -0.0320 11 C9 2.2167 4.3563 0.0454 C.2 1 noname -0.0429 12 C10 -1.0452 -0.2604 0.5554 C.2 1 noname 0.0113 13 C11 -1.6112 2.0774 0.2555 C.2 1 noname -0.0304 14 N2 -0.0022 -1.0805 0.4094 N.2 1 noname -0.2287 15 C12 -2.3552 -0.5674 0.9555 C.2 1 noname -0.0105 16 C13 -2.9322 1.7884 0.6535 C.2 1 noname -0.0469 17 C14 -3.3012 0.4735 1.0065 C.2 1 noname -0.0439 18 H1 2.0268 0.1013 -2.3015 H 1 noname 0.1098 19 H2 4.2097 3.0003 -2.2565 H 1 noname 0.0630 20 H3 0.6207 3.3743 0.9484 H 1 noname 0.0642 21 H4 3.9216 5.0183 -0.9954 H 1 noname 0.0622 22 H5 1.9507 -0.6555 -0.1595 H 1 noname 0.1019 23 H6 2.0896 5.2173 0.5774 H 1 noname 0.0623 24 H7 -1.3652 3.0264 -0.0224 H 1 noname 0.0643 25 H8 -2.6162 -1.5243 1.1965 H 1 noname 0.0645 26 H9 -3.6282 2.5334 0.6795 H 1 noname 0.0623 27 H10 -4.2602 0.2746 1.2925 H 1 noname 0.0623 @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 7 1 8 5 8 2 9 5 19 1 10 6 9 1 11 6 10 1 12 7 11 2 13 7 20 1 14 8 11 1 15 8 21 1 16 9 12 2 17 9 13 1 18 10 14 2 19 10 22 1 20 11 23 1 21 12 15 1 22 12 14 1 23 13 16 2 24 13 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