@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443386 59 60 1 SMALL USER_CHARGES @ATOM 1 N1 26.8491 -15.4323 -2.0486 N.3 1 noname -0.3028 2 C1 25.5931 -15.0643 -1.3586 C.3 1 noname -0.0003 3 C2 26.7390 -15.1263 -3.4905 C.3 1 noname -0.0003 4 C3 28.0020 -14.6953 -1.4866 C.3 1 noname 0.0023 5 C4 24.4080 -15.8582 -1.9295 C.3 1 noname -0.0251 6 C5 25.5980 -15.9292 -4.1314 C.3 1 noname -0.0251 7 C6 28.3699 -15.2013 -0.0776 C.3 1 noname 0.0120 8 C7 24.2730 -15.5932 -3.4344 C.3 1 noname 0.0064 9 C8 29.6318 -14.6042 0.4033 C.2 1 noname -0.0641 10 N2 23.1980 -16.4171 -3.9864 N.3 1 noname -0.3276 11 C9 30.7707 -15.4042 0.6214 C.2 1 noname -0.0646 12 C10 29.7097 -13.2193 0.6513 C.2 1 noname -0.0646 13 C11 31.9716 -14.8262 1.0684 C.2 1 noname -0.0657 14 C12 30.9096 -12.6422 1.0994 C.2 1 noname -0.0657 15 C13 32.0526 -13.4392 1.3074 C.2 1 noname -0.0638 16 C14 33.3175 -12.8371 1.7725 C.3 1 noname 0.0044 17 C15 34.4244 -12.9351 0.7065 C.3 1 noname -0.0492 18 C16 35.7043 -12.2441 1.2026 C.3 1 noname -0.0530 19 C17 36.8052 -12.3290 0.1357 C.3 1 noname -0.0533 20 C18 38.0811 -11.6300 0.6277 C.3 1 noname -0.0533 21 C19 39.1760 -11.6880 -0.4481 C.3 1 noname -0.0535 22 C20 40.4469 -10.9799 0.0448 C.3 1 noname -0.0561 23 C21 41.5378 -11.0199 -1.0320 C.3 1 noname -0.0654 24 H1 25.6670 -15.2973 -0.2976 H 1 noname 0.0431 25 H2 25.3990 -13.9963 -1.4735 H 1 noname 0.0431 26 H3 26.5570 -14.0593 -3.6365 H 1 noname 0.0431 27 H4 27.6689 -15.3962 -3.9934 H 1 noname 0.0431 28 H5 28.8659 -14.8503 -2.1365 H 1 noname 0.0434 29 H6 27.7779 -13.6273 -1.4545 H 1 noname 0.0434 30 H7 24.5740 -16.9222 -1.7575 H 1 noname 0.0295 31 H8 23.4910 -15.5532 -1.4235 H 1 noname 0.0295 32 H9 25.5280 -15.6762 -5.1894 H 1 noname 0.0295 33 H10 25.8080 -16.9941 -4.0304 H 1 noname 0.0295 34 H11 27.5759 -14.9472 0.6264 H 1 noname 0.0329 35 H12 28.4549 -16.2882 -0.1186 H 1 noname 0.0329 36 H13 24.0350 -14.5412 -3.5964 H 1 noname 0.0463 37 H14 23.1820 -16.2450 -4.9943 H 1 noname 0.1186 38 H15 23.4769 -17.3920 -3.8563 H 1 noname 0.1186 39 H16 30.7306 -16.4091 0.4494 H 1 noname 0.0625 40 H17 28.8917 -12.6283 0.5034 H 1 noname 0.0625 41 H18 32.7885 -15.4181 1.2194 H 1 noname 0.0625 42 H19 30.9496 -11.6362 1.2704 H 1 noname 0.0625 43 H20 33.1674 -11.7821 2.0135 H 1 noname 0.0316 44 H21 33.6454 -13.3481 2.6795 H 1 noname 0.0316 45 H22 34.6463 -13.9830 0.4966 H 1 noname 0.0270 46 H23 34.0914 -12.4481 -0.2113 H 1 noname 0.0270 47 H24 35.4883 -11.1961 1.4146 H 1 noname 0.0267 48 H25 36.0463 -12.7320 2.1166 H 1 noname 0.0267 49 H26 37.0262 -13.3769 -0.0732 H 1 noname 0.0266 50 H27 36.4592 -11.8460 -0.7782 H 1 noname 0.0266 51 H28 37.8551 -10.5870 0.8547 H 1 noname 0.0266 52 H29 38.4381 -12.1239 1.5327 H 1 noname 0.0266 53 H30 39.4070 -12.7299 -0.6731 H 1 noname 0.0266 54 H31 38.8180 -11.1959 -1.3531 H 1 noname 0.0266 55 H32 40.2169 -9.9399 0.2798 H 1 noname 0.0264 56 H33 40.8138 -11.4769 0.9438 H 1 noname 0.0264 57 H34 42.4327 -10.5209 -0.6590 H 1 noname 0.0230 58 H35 41.7788 -12.0548 -1.2750 H 1 noname 0.0230 59 H36 41.1888 -10.5079 -1.9290 H 1 noname 0.0230 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 2 5 1 5 2 24 1 6 2 25 1 7 3 6 1 8 3 26 1 9 3 27 1 10 4 7 1 11 4 28 1 12 4 29 1 13 5 8 1 14 5 30 1 15 5 31 1 16 6 8 1 17 6 32 1 18 6 33 1 19 7 9 1 20 7 34 1 21 7 35 1 22 8 10 1 23 8 36 1 24 9 11 2 25 9 12 1 26 10 37 1 27 10 38 1 28 11 13 1 29 11 39 1 30 12 14 2 31 12 40 1 32 13 15 2 33 13 41 1 34 14 15 1 35 14 42 1 36 15 16 1 37 16 17 1 38 16 43 1 39 16 44 1 40 17 18 1 41 17 45 1 42 17 46 1 43 18 19 1 44 18 47 1 45 18 48 1 46 19 20 1 47 19 49 1 48 19 50 1 49 20 21 1 50 20 51 1 51 20 52 1 52 21 22 1 53 21 53 1 54 21 54 1 55 22 23 1 56 22 55 1 57 22 56 1 58 23 57 1 59 23 58 1 60 23 59 1 @SUBSTRUCTURE 1 noname 1