@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4079 28 30 1 SMALL USER_CHARGES @ATOM 1 O1 9.4886 -3.3877 0.7810 O.2 1 noname -0.2767 2 C1 8.9506 -4.5157 0.7241 C.2 1 noname 0.0879 3 N1 7.6026 -4.5636 0.5981 N.3 1 noname -0.1363 4 C2 9.7046 -5.7156 0.7871 C.2 1 noname -0.0025 5 C3 6.9106 -5.7325 0.5272 C.2 1 noname -0.0107 6 C4 9.0215 -6.9635 0.7162 C.2 1 noname 0.0043 7 C5 11.1095 -5.6765 0.9161 C.2 1 noname 0.0279 8 C6 7.5895 -6.9784 0.5842 C.2 1 noname -0.0195 9 C7 5.5116 -5.6765 0.3972 C.2 1 noname 0.0046 10 C8 9.7955 -8.1494 0.7782 C.2 1 noname 0.0041 11 C9 11.8504 -6.8655 0.9752 C.2 1 noname 0.0377 12 C10 6.8115 -8.1594 0.5052 C.2 1 noname -0.0012 13 C11 4.7605 -6.8584 0.3213 C.2 1 noname 0.0326 14 C12 11.1934 -8.1024 0.9052 C.2 1 noname 0.0465 15 O2 13.1954 -6.8174 1.0972 O.3 1 noname -0.2748 16 C13 5.4125 -8.1043 0.3753 C.2 1 noname 0.0259 17 O3 3.4165 -6.7683 0.1973 O.3 1 noname -0.2749 18 O4 11.9113 -9.2473 0.9613 O.3 1 noname -0.2731 19 O5 4.7224 -9.2652 0.3023 O.3 1 noname -0.2763 20 H1 7.1146 -3.7266 0.5572 H 1 noname 0.1374 21 H2 11.6004 -4.7815 0.9682 H 1 noname 0.0659 22 H3 5.0375 -4.7735 0.3582 H 1 noname 0.0668 23 H4 9.3535 -9.0654 0.7312 H 1 noname 0.0657 24 H5 7.2494 -9.0783 0.5413 H 1 noname 0.0658 25 H6 13.6183 -7.7014 1.1273 H 1 noname 0.2183 26 H7 2.9405 -7.6213 0.1573 H 1 noname 0.2183 27 H8 11.3773 -10.0682 0.9033 H 1 noname 0.2183 28 H9 3.7544 -9.1722 0.2034 H 1 noname 0.2183 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 20 1 6 4 6 2 7 4 7 1 8 5 8 2 9 5 9 1 10 6 10 1 11 6 8 1 12 7 11 2 13 7 21 1 14 8 12 1 15 9 13 2 16 9 22 1 17 10 14 2 18 10 23 1 19 11 15 1 20 11 14 1 21 12 16 2 22 12 24 1 23 13 17 1 24 13 16 1 25 14 18 1 26 15 25 1 27 16 19 1 28 17 26 1 29 18 27 1 30 19 28 1 @SUBSTRUCTURE 1 noname 1