@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3262 31 33 1 SMALL USER_CHARGES @ATOM 1 N1 0.2616 -0.0872 -0.4360 N.2 1 noname -0.2334 2 C1 -0.6923 0.7508 0.0479 C.2 1 noname 0.0452 3 C2 0.2196 -1.4251 -0.2500 C.2 1 noname 0.0494 4 N2 -0.6004 2.0908 -0.1649 N.3 1 noname 0.0049 5 C3 -1.7764 0.2118 0.7749 C.2 1 noname -0.0070 6 N3 -0.8084 -1.9651 0.4420 N.2 1 noname -0.2441 7 C4 0.3965 2.6829 -0.8599 C.2 1 noname -0.0335 8 C5 -1.7974 -1.1950 0.9540 C.2 1 noname 0.0518 9 C6 -2.8214 0.9918 1.3170 C.2 1 noname -0.0209 10 C7 1.5195 3.1959 -0.1839 C.2 1 noname -0.0634 11 C8 0.3095 2.8049 -2.2589 C.2 1 noname -0.0669 12 C9 -2.8484 -1.8020 1.6650 C.2 1 noname -0.0084 13 C10 -3.8685 0.3779 2.0260 C.2 1 noname -0.0521 14 C11 2.5614 3.8199 -0.8978 C.2 1 noname -0.0605 15 C12 1.3434 3.4280 -2.9778 C.2 1 noname -0.0650 16 C13 -3.8825 -1.0159 2.1991 C.2 1 noname -0.0368 17 C14 2.4664 3.9320 -2.2998 C.2 1 noname -0.0880 18 C15 3.7303 4.3400 -0.1728 C.3 1 noname -0.0017 19 H1 0.9565 -2.0211 -0.6279 H 1 noname 0.1062 20 H2 -1.2904 2.6619 0.2050 H 1 noname 0.1357 21 H3 -2.8285 2.0059 1.2010 H 1 noname 0.0630 22 H4 1.5824 3.1099 0.8321 H 1 noname 0.0642 23 H5 -0.5035 2.4389 -2.7558 H 1 noname 0.0639 24 H6 -2.8625 -2.8149 1.7921 H 1 noname 0.0645 25 H7 -4.6215 0.9469 2.4141 H 1 noname 0.0622 26 H8 1.2794 3.5130 -3.9927 H 1 noname 0.0623 27 H9 -4.6445 -1.4579 2.7131 H 1 noname 0.0623 28 H10 3.2143 4.3810 -2.8297 H 1 noname 0.0625 29 H11 4.4503 4.7940 -0.8578 H 1 noname 0.0279 30 H12 3.4083 5.0940 0.5461 H 1 noname 0.0279 31 H13 4.2213 3.5250 0.3602 H 1 noname 0.0279 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 19 1 7 4 7 1 8 4 20 1 9 5 8 1 10 5 9 2 11 6 8 1 12 7 10 2 13 7 11 1 14 8 12 2 15 9 13 1 16 9 21 1 17 10 14 1 18 10 22 1 19 11 15 2 20 11 23 1 21 12 16 1 22 12 24 1 23 13 16 2 24 13 25 1 25 14 17 2 26 14 18 1 27 15 17 1 28 15 26 1 29 16 27 1 30 17 28 1 31 18 29 1 32 18 30 1 33 18 31 1 @SUBSTRUCTURE 1 noname 1