@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439491 31 33 1 SMALL USER_CHARGES @ATOM 1 O1 -0.0859 -9.6550 2.9240 O.2 1 noname -0.2792 2 C1 -0.6109 -10.6630 2.4720 C.2 1 noname 0.1080 3 C2 -1.8109 -10.7119 1.8541 C.2 1 noname 0.0287 4 C3 -0.1169 -11.9159 2.4891 C.2 1 noname 0.0579 5 C4 -2.7589 -9.7179 1.5622 C.2 1 noname 0.0574 6 C5 -2.0119 -12.0378 1.5002 C.2 1 noname 0.0608 7 O2 -0.9549 -12.7838 1.8961 O.3 1 noname -0.1812 8 C6 1.0679 -12.2518 3.0171 C.2 1 noname 0.0160 9 O3 -2.5480 -8.4309 1.9152 O.3 1 noname -0.2747 10 C7 -3.9369 -10.1039 0.8923 C.2 1 noname 0.0003 11 C8 -3.1809 -12.4338 0.8322 C.2 1 noname 0.0030 12 C9 1.5798 -13.5338 3.0282 C.2 1 noname -0.0459 13 C10 -4.1470 -11.4528 0.5283 C.2 1 noname 0.0353 14 C11 0.7818 -14.6537 3.3542 C.2 1 noname -0.0078 15 C12 2.9448 -13.7327 2.7352 C.2 1 noname -0.0475 16 O4 -5.2840 -11.7997 -0.1145 O.3 1 noname -0.2805 17 C13 1.3338 -15.9466 3.3642 C.2 1 noname 0.0263 18 C14 3.4987 -15.0236 2.7462 C.2 1 noname -0.0200 19 O5 0.5598 -17.0135 3.6683 O.3 1 noname -0.2758 20 C15 2.6927 -16.1316 3.0593 C.2 1 noname 0.0271 21 O6 3.2266 -17.3725 3.0673 O.3 1 noname -0.2760 22 H1 1.6268 -11.5278 3.4052 H 1 noname 0.0658 23 H2 -1.6951 -8.2738 2.3752 H 1 noname 0.2182 24 H3 -4.6440 -9.4028 0.6673 H 1 noname 0.0677 25 H4 -3.3240 -13.4097 0.5733 H 1 noname 0.0678 26 H5 -0.2041 -14.5306 3.5882 H 1 noname 0.0657 27 H6 3.5427 -12.9367 2.5072 H 1 noname 0.0629 28 H7 -5.3540 -12.7517 -0.3355 H 1 noname 0.2181 29 H8 4.4866 -15.1576 2.5273 H 1 noname 0.0651 30 H9 -0.3772 -16.7955 3.8603 H 1 noname 0.2183 31 H10 2.5816 -18.0754 3.2963 H 1 noname 0.2183 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 7 1 7 4 8 2 8 5 9 1 9 5 10 1 10 6 11 2 11 6 7 1 12 8 12 1 13 8 22 1 14 9 23 1 15 10 13 2 16 10 24 1 17 11 13 1 18 11 25 1 19 12 14 2 20 12 15 1 21 13 16 1 22 14 17 1 23 14 26 1 24 15 18 2 25 15 27 1 26 16 28 1 27 17 19 1 28 17 20 2 29 18 20 1 30 18 29 1 31 19 30 1 32 20 21 1 33 21 31 1 @SUBSTRUCTURE 1 noname 1