@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3867 28 30 1 SMALL USER_CHARGES @ATOM 1 N1 0.0000 -1.0461 0.4357 N.2 1 noname -0.2371 2 C1 -1.0310 -0.2031 0.5678 C.2 1 noname 0.0089 3 C2 1.0459 -0.2801 0.0798 C.2 1 noname -0.0406 4 C3 -0.6160 1.0999 0.2888 C.2 1 noname -0.0503 5 C4 -2.3570 -0.4970 0.9148 C.2 1 noname -0.0166 6 N2 0.6989 1.0209 -0.0070 N.3 1 noname -0.0185 7 C5 -1.5391 2.1719 0.3309 C.2 1 noname -0.0271 8 C6 -3.2831 0.5609 0.9709 C.2 1 noname -0.0448 9 C7 1.5628 2.0159 -0.3330 C.2 1 noname -0.0235 10 C8 -2.8781 1.8790 0.6789 C.2 1 noname -0.0491 11 C9 -1.1541 3.5570 0.0109 C.3 1 noname 0.0089 12 C10 2.0568 2.8860 0.6599 C.2 1 noname -0.0546 13 C11 1.9998 2.1710 -1.6650 C.2 1 noname -0.0546 14 C12 2.9617 3.9080 0.3240 C.2 1 noname -0.0618 15 C13 2.9048 3.1930 -2.0019 C.2 1 noname -0.0618 16 C14 3.3837 4.0620 -1.0068 C.2 1 noname -0.0850 17 H1 1.9839 -0.6450 -0.0911 H 1 noname 0.1019 18 H2 -2.6441 -1.4550 1.1169 H 1 noname 0.0645 19 H3 -4.2551 0.3720 1.2189 H 1 noname 0.0623 20 H4 -3.5682 2.6300 0.7189 H 1 noname 0.0626 21 H5 -0.7072 3.5960 -0.9830 H 1 noname 0.0280 22 H6 -2.0212 4.2200 0.0240 H 1 noname 0.0280 23 H7 -0.4382 3.9200 0.7470 H 1 noname 0.0280 24 H8 1.7558 2.7770 1.6300 H 1 noname 0.0642 25 H9 1.6558 1.5420 -2.3919 H 1 noname 0.0642 26 H10 3.3127 4.5370 1.0470 H 1 noname 0.0623 27 H11 3.2137 3.3020 -2.9679 H 1 noname 0.0623 28 H12 4.0416 4.8031 -1.2518 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 2 3 2 4 2 4 2 5 1 5 3 6 1 6 3 17 1 7 4 7 1 8 4 6 1 9 5 8 2 10 5 18 1 11 6 9 1 12 7 10 2 13 7 11 1 14 8 10 1 15 8 19 1 16 9 12 2 17 9 13 1 18 10 20 1 19 11 21 1 20 11 22 1 21 11 23 1 22 12 14 1 23 12 24 1 24 13 15 2 25 13 25 1 26 14 16 2 27 14 26 1 28 15 16 1 29 15 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1