@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446266 56 60 1 SMALL USER_CHARGES @ATOM 1 F1 2.8677 -10.1935 2.8677 F 1 noname -0.1587 2 C1 3.7926 -9.3935 2.4097 C.2 1 noname 0.0471 3 C2 5.1225 -9.4994 2.8567 C.2 1 noname 0.0381 4 C3 3.4536 -8.4195 1.4568 C.2 1 noname 0.0076 5 N1 5.4554 -10.4423 3.7648 N.3 1 noname -0.1118 6 C4 6.1104 -8.6484 2.3268 C.2 1 noname 0.0130 7 C5 4.4435 -7.5704 0.9339 C.2 1 noname -0.0128 8 C6 5.6764 -10.1923 5.0818 C.2 1 noname 0.1217 9 C7 5.7884 -7.6724 1.3559 C.2 1 noname -0.0068 10 O1 5.6504 -9.0263 5.5368 O.2 1 noname -0.2542 11 N2 5.9423 -11.1802 5.9698 N.3 1 noname -0.1255 12 C8 6.8163 -6.7754 0.7630 C.3 1 noname 0.4161 13 C9 6.0083 -12.5111 5.7048 C.2 1 noname -0.0158 14 F2 8.0742 -6.9323 1.2980 F 1 noname -0.1661 15 F3 6.9222 -7.0093 -0.5878 F 1 noname -0.1661 16 F4 6.4683 -5.4594 0.9490 F 1 noname -0.1661 17 C10 5.0963 -13.1760 4.8569 C.2 1 noname -0.0166 18 C11 7.0142 -13.2560 6.3439 C.2 1 noname -0.0298 19 C12 5.2113 -14.5579 4.5909 C.2 1 noname -0.0309 20 C13 7.1272 -14.6360 6.1169 C.2 1 noname -0.0483 21 C14 4.3163 -15.2069 3.7030 C.2 1 noname -0.0148 22 C15 6.2352 -15.2809 5.2449 C.2 1 noname -0.0424 23 C16 3.7663 -14.7339 2.5051 C.2 1 noname -0.0019 24 C17 3.7903 -16.4938 3.8561 C.2 1 noname -0.1059 25 C18 2.9313 -15.7278 2.0072 C.2 1 noname 0.0618 26 C19 3.9263 -13.5438 1.7732 C.2 1 noname -0.0168 27 N3 2.9613 -16.7768 2.8372 N.3 1 noname -0.0434 28 N4 2.2442 -15.5628 0.8543 N.2 1 noname -0.2513 29 C20 3.2152 -13.3648 0.5603 C.2 1 noname -0.0364 30 C21 2.3612 -14.4148 0.1364 C.2 1 noname 0.0064 31 C22 3.3482 -12.1778 -0.2096 C.2 1 noname -0.0438 32 C23 4.6161 -11.5928 -0.4365 C.2 1 noname -0.0564 33 C24 2.2122 -11.5568 -0.7815 C.2 1 noname -0.0786 34 C25 4.7450 -10.4258 -1.2135 C.2 1 noname -0.0324 35 C26 2.3371 -10.3878 -1.5494 C.2 1 noname -0.0610 36 N5 5.9560 -9.8878 -1.4264 N.3 1 noname -0.1553 37 C27 3.6030 -9.8218 -1.7654 C.2 1 noname -0.0691 38 H1 2.4905 -8.3344 1.1319 H 1 noname 0.0654 39 H2 5.4934 -11.3602 3.4598 H 1 noname 0.1386 40 H3 7.0723 -8.7494 2.6498 H 1 noname 0.0646 41 H4 4.1815 -6.8754 0.2350 H 1 noname 0.0629 42 H5 6.1433 -10.9012 6.8758 H 1 noname 0.1385 43 H6 4.3333 -12.6430 4.4370 H 1 noname 0.0645 44 H7 7.6722 -12.7930 6.9719 H 1 noname 0.0639 45 H8 7.8631 -15.1689 6.5829 H 1 noname 0.0623 46 H9 6.3462 -16.2838 5.0830 H 1 noname 0.0629 47 H10 3.9862 -17.1237 4.6361 H 1 noname 0.0796 48 H11 4.5512 -12.8138 2.1182 H 1 noname 0.0637 49 H12 2.4663 -17.6017 2.7192 H 1 noname 0.1537 50 H13 1.8342 -14.3297 -0.7354 H 1 noname 0.0846 51 H14 5.4550 -12.0267 -0.0475 H 1 noname 0.0645 52 H15 1.2812 -11.9477 -0.6335 H 1 noname 0.0629 53 H16 1.5082 -9.9497 -1.9504 H 1 noname 0.0623 54 H17 6.7519 -10.3297 -1.0924 H 1 noname 0.1242 55 H18 6.0369 -9.0558 -1.9183 H 1 noname 0.1242 56 H19 3.6870 -8.9698 -2.3214 H 1 noname 0.0639 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 38 1 8 5 8 1 9 5 39 1 10 6 9 2 11 6 40 1 12 7 9 1 13 7 41 1 14 8 10 2 15 8 11 1 16 9 12 1 17 11 13 1 18 11 42 1 19 12 14 1 20 12 15 1 21 12 16 1 22 13 17 2 23 13 18 1 24 17 19 1 25 17 43 1 26 18 20 2 27 18 44 1 28 19 21 1 29 19 22 2 30 20 22 1 31 20 45 1 32 21 23 1 33 21 24 2 34 22 46 1 35 23 25 2 36 23 26 1 37 24 27 1 38 24 47 1 39 25 28 1 40 25 27 1 41 26 29 2 42 26 48 1 43 27 49 1 44 28 30 2 45 29 31 1 46 29 30 1 47 30 50 1 48 31 32 2 49 31 33 1 50 32 34 1 51 32 51 1 52 33 35 2 53 33 52 1 54 34 36 1 55 34 37 2 56 35 37 1 57 35 53 1 58 36 54 1 59 36 55 1 60 37 56 1 @SUBSTRUCTURE 1 noname 1