@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442817 57 60 1 SMALL USER_CHARGES @ATOM 1 F1 5.3779 -2.2897 1.3205 F 1 noname -0.1507 2 C1 6.6509 -2.2037 1.0666 C.2 1 noname 0.0766 3 C2 7.4919 -3.3107 0.7786 C.2 1 noname 0.0471 4 C3 7.1989 -0.9076 1.0716 C.2 1 noname 0.0549 5 N1 7.1779 -4.6427 0.7186 N.3 1 noname -0.1249 6 C4 8.8509 -3.0576 0.4996 C.2 1 noname 0.0118 7 N2 8.5130 -0.7205 0.8007 N.2 1 noname -0.2431 8 C5 6.0188 -5.3277 0.9387 C.2 1 noname 0.0868 9 C6 9.3469 -1.7455 0.5167 C.2 1 noname -0.0013 10 O1 4.9627 -4.7706 1.3088 O.2 1 noname -0.2773 11 C7 6.0047 -6.7347 0.7627 C.2 1 noname -0.0051 12 C8 5.0516 -7.5377 1.4268 C.2 1 noname 0.0035 13 C9 6.9277 -7.3697 -0.0932 C.2 1 noname -0.0089 14 C10 5.0076 -8.9427 1.2608 C.2 1 noname -0.0156 15 C11 6.9096 -8.7608 -0.2612 C.2 1 noname -0.0322 16 C12 3.9735 -9.6667 1.9149 C.2 1 noname -0.0212 17 C13 5.9706 -9.5627 0.4158 C.2 1 noname -0.0128 18 C14 3.1324 -10.5287 1.1779 C.2 1 noname 0.0088 19 C15 3.7394 -9.5267 3.3010 C.2 1 noname -0.0206 20 C16 6.0826 -11.0277 0.2188 C.3 1 noname 0.0185 21 C17 2.1113 -11.2817 1.7970 C.2 1 noname 0.0015 22 C18 2.7113 -10.2476 3.9301 C.2 1 noname -0.0380 23 N3 5.5945 -11.4057 -1.1101 N.3 1 noname -0.3264 24 C19 1.3583 -12.1637 1.0450 C.2 1 noname 0.0884 25 C20 1.9063 -11.1236 3.1841 C.2 1 noname -0.0037 26 O2 0.2882 -12.5947 1.4531 O.2 1 noname -0.2582 27 O3 1.8382 -12.5727 -0.1289 O.3 1 noname -0.2056 28 C21 1.1222 -13.4977 -0.9449 C.3 1 noname 0.0830 29 C22 1.9452 -13.7756 -2.2109 C.3 1 noname 0.0817 30 O4 2.2812 -12.5705 -2.8869 O.3 1 noname -0.3756 31 C23 3.3132 -14.3946 -1.9059 C.3 1 noname -0.0223 32 C24 3.4412 -12.7605 -3.6899 C.3 1 noname 0.0473 33 C25 4.1502 -13.9975 -3.1229 C.3 1 noname -0.0270 34 H1 6.6099 -0.0995 1.2777 H 1 noname 0.0871 35 H2 7.9249 -5.2117 0.4757 H 1 noname 0.1375 36 H3 9.4869 -3.8266 0.2837 H 1 noname 0.0656 37 H4 10.3310 -1.5645 0.3157 H 1 noname 0.0839 38 H5 4.3625 -7.0846 2.0319 H 1 noname 0.0637 39 H6 7.6237 -6.8237 -0.6042 H 1 noname 0.0630 40 H7 7.5976 -9.1967 -0.8772 H 1 noname 0.0626 41 H8 3.2724 -10.6177 0.1699 H 1 noname 0.0637 42 H9 4.3224 -8.9026 3.8621 H 1 noname 0.0629 43 H10 7.1276 -11.3287 0.3079 H 1 noname 0.0476 44 H11 5.5235 -11.5847 0.9699 H 1 noname 0.0476 45 H12 2.5543 -10.1406 4.9322 H 1 noname 0.0623 46 H13 4.6044 -11.1537 -1.1500 H 1 noname 0.1187 47 H14 5.6394 -12.4257 -1.1630 H 1 noname 0.1187 48 H15 1.1722 -11.6526 3.6571 H 1 noname 0.0631 49 H16 0.9621 -14.4307 -0.4028 H 1 noname 0.0600 50 H17 0.1581 -13.0726 -1.2279 H 1 noname 0.0600 51 H18 1.3881 -14.4296 -2.8829 H 1 noname 0.0627 52 H19 3.2472 -15.4776 -1.7978 H 1 noname 0.0294 53 H20 3.7422 -13.9486 -1.0078 H 1 noname 0.0294 54 H21 3.1511 -12.9395 -4.7259 H 1 noname 0.0566 55 H22 4.0852 -11.8824 -3.6299 H 1 noname 0.0566 56 H23 5.1762 -13.7675 -2.8318 H 1 noname 0.0291 57 H24 4.1401 -14.8016 -3.8609 H 1 noname 0.0291 @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 34 1 8 5 8 1 9 5 35 1 10 6 9 2 11 6 36 1 12 7 9 1 13 8 10 2 14 8 11 1 15 9 37 1 16 11 12 2 17 11 13 1 18 12 14 1 19 12 38 1 20 13 15 2 21 13 39 1 22 14 16 1 23 14 17 2 24 15 17 1 25 15 40 1 26 16 18 2 27 16 19 1 28 17 20 1 29 18 21 1 30 18 41 1 31 19 22 2 32 19 42 1 33 20 23 1 34 20 43 1 35 20 44 1 36 21 24 1 37 21 25 2 38 22 25 1 39 22 45 1 40 23 46 1 41 23 47 1 42 24 26 2 43 24 27 1 44 25 48 1 45 27 28 1 46 28 29 1 47 28 49 1 48 28 50 1 49 29 30 1 50 29 31 1 51 29 51 1 52 30 32 1 53 31 33 1 54 31 52 1 55 31 53 1 56 32 33 1 57 32 54 1 58 32 55 1 59 33 56 1 60 33 57 1 @SUBSTRUCTURE 1 noname 1