@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444454 30 31 1 SMALL USER_CHARGES @ATOM 1 S1 4.0791 -9.1496 0.7971 S.3 1 noname -0.1442 2 C1 3.1820 -7.6835 0.5842 C.2 1 noname 0.1268 3 C2 5.5071 -8.1755 0.9032 C.2 1 noname 0.0674 4 N1 3.9260 -6.5704 0.5942 N.2 1 noname -0.1841 5 N2 1.8449 -7.6074 0.4162 N.3 1 noname -0.0921 6 C3 6.7511 -8.7895 1.1032 C.2 1 noname 0.1664 7 C4 5.2320 -6.8104 0.7702 C.2 1 noname 0.0816 8 C5 1.0009 -8.6624 0.3903 C.2 1 noname 0.1373 9 O1 7.9560 -8.1874 1.2163 O.3 1 noname -0.2875 10 N3 6.9120 -10.1145 1.2173 N.2 1 noname -0.1359 11 C6 6.1740 -5.6833 0.8022 C.3 1 noname 0.0488 12 O2 1.3869 -9.8454 0.5223 O.2 1 noname -0.2752 13 C7 -0.4261 -8.4054 0.1973 C.3 1 noname 0.0099 14 N4 8.8560 -9.1104 1.3983 N.2 1 noname -0.1279 15 C8 8.2260 -10.2934 1.4003 C.2 1 noname 0.1270 16 C9 8.8780 -11.5924 1.5793 C.3 1 noname 0.1035 17 C10 8.3360 -12.3144 2.8214 C.3 1 noname 0.0504 18 O3 9.0079 -13.5574 2.9685 O.3 1 noname -0.3958 19 H1 1.4618 -6.7244 0.3062 H 1 noname 0.1394 20 H2 5.9009 -5.0163 1.6203 H 1 noname 0.0296 21 H3 6.1029 -5.1363 -0.1376 H 1 noname 0.0296 22 H4 7.2029 -6.0023 0.9423 H 1 noname 0.0296 23 H5 -0.5801 -7.9043 -0.7586 H 1 noname 0.0324 24 H6 -0.7941 -7.7693 1.0033 H 1 noname 0.0324 25 H7 -0.9791 -9.3454 0.2023 H 1 noname 0.0324 26 H8 8.6950 -12.2064 0.6974 H 1 noname 0.0373 27 H9 9.9530 -11.4453 1.6934 H 1 noname 0.0373 28 H10 8.5089 -11.7083 3.7125 H 1 noname 0.0568 29 H11 7.2659 -12.4984 2.7105 H 1 noname 0.0568 30 H12 8.7189 -14.0843 3.7435 H 1 noname 0.2100 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 1 6 3 7 2 7 4 7 1 8 5 8 1 9 5 19 1 10 6 9 1 11 6 10 2 12 7 11 1 13 8 12 2 14 8 13 1 15 9 14 1 16 10 15 1 17 11 20 1 18 11 21 1 19 11 22 1 20 13 23 1 21 13 24 1 22 13 25 1 23 14 15 2 24 15 16 1 25 16 17 1 26 16 26 1 27 16 27 1 28 17 18 1 29 17 28 1 30 17 29 1 31 18 30 1 @SUBSTRUCTURE 1 noname 1