@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3615 30 32 1 SMALL USER_CHARGES @ATOM 1 N1 1.1321 -0.6966 3.9228 N.2 1 noname -0.2182 2 C1 0.1511 0.2393 3.8708 C.2 1 noname 0.0827 3 C2 1.4070 -1.5095 2.8749 C.2 1 noname 0.0602 4 N2 -0.0988 1.0363 4.9318 N.3 1 noname -0.0893 5 C3 -0.6117 0.3813 2.6990 C.2 1 noname 0.0400 6 N3 0.6880 -1.3924 1.7340 N.2 1 noname -0.2384 7 C4 0.6280 0.9583 6.1498 C.3 1 noname 0.0266 8 N4 -1.6087 1.2963 2.5750 N.2 1 noname -0.2247 9 C5 -0.3048 -0.4774 1.6191 C.2 1 noname 0.0371 10 C6 0.1430 1.9783 7.0987 C.2 1 noname -0.0486 11 C7 -2.3407 1.4284 1.4392 C.2 1 noname 0.0074 12 C8 -1.0498 -0.3574 0.4342 C.2 1 noname 0.0055 13 C9 -0.4458 1.6034 8.3237 C.2 1 noname -0.0531 14 C10 0.2740 3.3482 6.7898 C.2 1 noname -0.0531 15 C11 -2.0748 0.5994 0.3373 C.2 1 noname -0.0108 16 C12 -0.9008 2.5823 9.2237 C.2 1 noname -0.0594 17 C13 -0.1809 4.3272 7.6888 C.2 1 noname -0.0594 18 C14 -0.7699 3.9453 8.9057 C.2 1 noname -0.0613 19 H1 2.1510 -2.2034 2.9449 H 1 noname 0.1062 20 H2 -0.8087 1.6933 4.8519 H 1 noname 0.1300 21 H3 1.6889 1.1294 5.9568 H 1 noname 0.0482 22 H4 0.5100 -0.0424 6.5698 H 1 noname 0.0482 23 H5 -3.0817 2.1273 1.3882 H 1 noname 0.0839 24 H6 -0.8479 -0.9653 -0.3596 H 1 noname 0.0646 25 H7 -0.5459 0.6165 8.5627 H 1 noname 0.0626 26 H8 0.7009 3.6332 5.9079 H 1 noname 0.0626 27 H9 -2.6178 0.6905 -0.5205 H 1 noname 0.0639 28 H10 -1.3268 2.3044 10.1087 H 1 noname 0.0622 29 H11 -0.0840 5.3172 7.4578 H 1 noname 0.0622 30 H12 -1.0999 4.6563 9.5587 H 1 noname 0.0622 @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 2 10 5 9 1 11 6 9 1 12 7 10 1 13 7 21 1 14 7 22 1 15 8 11 1 16 9 12 2 17 10 13 2 18 10 14 1 19 11 15 2 20 11 23 1 21 12 15 1 22 12 24 1 23 13 16 1 24 13 25 1 25 14 17 2 26 14 26 1 27 15 27 1 28 16 18 2 29 16 28 1 30 17 18 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1