@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3679 45 48 1 SMALL USER_CHARGES @ATOM 1 N1 -1.4786 6.7970 1.1305 N.2 1 noname -0.2177 2 C1 -1.0256 5.5720 1.5016 C.2 1 noname 0.0584 3 C2 -2.3846 6.9740 0.1406 C.2 1 noname 0.0594 4 N2 -0.1207 5.4291 2.5106 N.3 1 noname 0.0073 5 C3 -1.5237 4.4331 0.8346 C.2 1 noname 0.0037 6 N3 -2.8697 5.8941 -0.5112 N.2 1 noname -0.2357 7 C4 0.4421 6.4181 3.2517 C.2 1 noname -0.0335 8 C5 -2.4717 4.6381 -0.1972 C.2 1 noname 0.0254 9 C6 -1.1427 3.1101 1.1307 C.2 1 noname 0.0261 10 C7 0.5971 6.1912 4.6327 C.2 1 noname -0.0634 11 C8 0.9271 7.6211 2.6967 C.2 1 noname -0.0668 12 C9 -3.0068 3.5472 -0.8991 C.2 1 noname 0.0103 13 N4 -1.6828 2.0812 0.4337 N.2 1 noname -0.2559 14 C10 1.2020 7.1552 5.4627 C.2 1 noname -0.0605 15 C11 1.5310 8.5892 3.5167 C.2 1 noname -0.0650 16 C12 -2.5918 2.2492 -0.5611 C.2 1 noname 0.0391 17 C13 1.6650 8.3592 4.8958 C.2 1 noname -0.0879 18 C14 1.3470 6.8892 6.9018 C.3 1 noname -0.0017 19 N5 -3.0989 1.1883 -1.2221 N.3 1 noname -0.1068 20 C15 -2.7289 -0.1485 -0.9220 C.3 1 noname 0.0067 21 C16 -3.4819 -1.1125 -1.8530 C.3 1 noname 0.0309 22 C17 -3.1260 -2.5074 -1.5630 C.2 1 noname -0.0709 23 N6 -1.9030 -3.0404 -1.6359 N.3 1 noname -0.0531 24 C18 -3.9790 -3.5294 -1.1640 C.2 1 noname 0.0034 25 C19 -1.9891 -4.3343 -1.2959 C.2 1 noname -0.0619 26 N7 -3.2621 -4.6523 -1.0019 N.2 1 noname -0.2466 27 H1 -2.6997 7.9110 -0.1093 H 1 noname 0.1062 28 H2 0.1151 4.5221 2.7597 H 1 noname 0.1357 29 H3 -0.4638 2.9122 1.8667 H 1 noname 0.0848 30 H4 0.2630 5.3162 5.0407 H 1 noname 0.0642 31 H5 0.8501 7.7932 1.6938 H 1 noname 0.0639 32 H6 -3.6908 3.6952 -1.6431 H 1 noname 0.0679 33 H7 1.8770 9.4582 3.1088 H 1 noname 0.0623 34 H8 2.1039 9.0673 5.4838 H 1 noname 0.0625 35 H9 1.8339 7.7223 7.4108 H 1 noname 0.0279 36 H10 0.3619 6.7363 7.3458 H 1 noname 0.0279 37 H11 1.9469 5.9903 7.0498 H 1 noname 0.0279 38 H12 -3.7449 1.3453 -1.9290 H 1 noname 0.1296 39 H13 -1.6530 -0.2665 -1.0630 H 1 noname 0.0436 40 H14 -2.9830 -0.3705 0.1169 H 1 noname 0.0436 41 H15 -4.5560 -0.9684 -1.7219 H 1 noname 0.0343 42 H16 -3.2200 -0.8904 -2.8880 H 1 noname 0.0343 43 H17 -1.0921 -2.5723 -1.8879 H 1 noname 0.1534 44 H18 -4.9841 -3.4413 -1.0169 H 1 noname 0.0856 45 H19 -1.2031 -4.9843 -1.2638 H 1 noname 0.1013 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 27 1 7 4 7 1 8 4 28 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 29 1 17 10 14 1 18 10 30 1 19 11 15 2 20 11 31 1 21 12 16 1 22 12 32 1 23 13 16 2 24 14 17 2 25 14 18 1 26 15 17 1 27 15 33 1 28 16 19 1 29 17 34 1 30 18 35 1 31 18 36 1 32 18 37 1 33 19 20 1 34 19 38 1 35 20 21 1 36 20 39 1 37 20 40 1 38 21 22 1 39 21 41 1 40 21 42 1 41 22 23 1 42 22 24 2 43 23 25 1 44 23 43 1 45 24 26 1 46 24 44 1 47 25 26 2 48 25 45 1 @SUBSTRUCTURE 1 noname 1