@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446305 57 61 1 SMALL USER_CHARGES @ATOM 1 F1 11.6522 -1.5068 4.7030 F 1 noname -0.2430 2 C1 12.9732 -1.4058 4.3310 C.3 1 noname 0.1391 3 C2 13.3332 -2.4608 3.2680 C.3 1 noname 0.0980 4 C3 13.8722 -1.5817 5.5661 C.3 1 noname 0.0292 5 O1 12.4301 -2.3347 2.1621 O.3 1 noname -0.2598 6 C4 13.2642 -3.8707 3.8861 C.3 1 noname -0.0107 7 N1 13.7372 -2.9357 6.1262 N.3 1 noname -0.3136 8 C5 12.6421 -3.0547 1.0261 C.2 1 noname 0.0400 9 C6 14.1452 -3.9477 5.1412 C.3 1 noname -0.0021 10 C7 11.7630 -4.1017 0.6881 C.2 1 noname 0.0295 11 C8 13.7221 -2.7506 0.1771 C.2 1 noname -0.0178 12 N2 10.7250 -4.4186 1.5001 N.2 1 noname -0.2197 13 C9 11.9640 -4.8466 -0.4988 C.2 1 noname 0.0234 14 C10 13.9251 -3.4886 -1.0028 C.2 1 noname -0.0462 15 C11 9.8349 -5.4156 1.2642 C.2 1 noname 0.0111 16 C12 11.0639 -5.8876 -0.7898 C.2 1 noname -0.0326 17 C13 13.0480 -4.5336 -1.3428 C.2 1 noname -0.0453 18 C14 8.7948 -5.6555 2.2023 C.2 1 noname -0.0584 19 C15 10.0028 -6.1746 0.0852 C.2 1 noname -0.0119 20 N3 8.5268 -5.0105 3.3623 N.3 1 noname -0.1051 21 C16 7.8177 -6.6515 2.1023 C.2 1 noname 0.0334 22 C17 7.4477 -5.6064 3.9194 C.2 1 noname 0.0129 23 C18 9.1467 -3.9544 3.9644 C.2 1 noname -0.0634 24 N4 6.9976 -6.6135 3.1614 N.2 1 noname -0.2185 25 C19 6.9166 -5.1754 5.1435 C.2 1 noname 0.0276 26 C20 8.6607 -3.4784 5.1955 C.2 1 noname -0.0170 27 C21 7.5426 -4.0913 5.7915 C.2 1 noname 0.0526 28 O2 7.1246 -3.5843 6.9896 O.3 1 noname -0.2656 29 C22 6.0365 -4.1502 7.7266 C.3 1 noname 0.0768 30 C23 5.8514 -3.3592 9.0247 C.3 1 noname 0.0703 31 O3 4.7734 -3.9192 9.7708 O.3 1 noname -0.3821 32 C24 4.4663 -3.2921 11.0119 C.3 1 noname 0.0357 33 H1 13.1382 -0.4127 3.9121 H 1 noname 0.0702 34 H2 14.3562 -2.2697 2.9351 H 1 noname 0.0640 35 H3 13.5842 -0.8547 6.3262 H 1 noname 0.0458 36 H4 14.9122 -1.4017 5.2891 H 1 noname 0.0458 37 H5 12.2321 -4.1007 4.1532 H 1 noname 0.0307 38 H6 13.6121 -4.6067 3.1611 H 1 noname 0.0307 39 H7 12.7411 -3.0807 6.3072 H 1 noname 0.1223 40 H8 14.0391 -4.9367 5.5873 H 1 noname 0.0428 41 H9 15.1902 -3.7957 4.8662 H 1 noname 0.0428 42 H10 14.3590 -1.9905 0.4151 H 1 noname 0.0650 43 H11 14.7090 -3.2625 -1.6148 H 1 noname 0.0623 44 H12 11.1759 -6.4456 -1.6378 H 1 noname 0.0630 45 H13 13.2059 -5.0625 -2.2028 H 1 noname 0.0629 46 H14 9.3658 -6.9375 -0.1466 H 1 noname 0.0646 47 H15 7.7316 -7.3225 1.3393 H 1 noname 0.0861 48 H16 9.9557 -3.4974 3.5464 H 1 noname 0.0797 49 H17 6.1025 -5.6404 5.5465 H 1 noname 0.0687 50 H18 9.1197 -2.6903 5.6535 H 1 noname 0.0663 51 H19 5.1164 -4.0952 7.1437 H 1 noname 0.0596 52 H20 6.2514 -5.1912 7.9747 H 1 noname 0.0596 53 H21 6.7704 -3.4081 9.6108 H 1 noname 0.0590 54 H22 5.6304 -2.3181 8.7827 H 1 noname 0.0590 55 H23 3.6312 -3.8151 11.4789 H 1 noname 0.0529 56 H24 5.3313 -3.3350 11.6739 H 1 noname 0.0529 57 H25 4.1883 -2.2510 10.8429 H 1 noname 0.0529 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 33 1 5 3 5 1 6 3 6 1 7 3 34 1 8 4 7 1 9 4 35 1 10 4 36 1 11 5 8 1 12 6 9 1 13 6 37 1 14 6 38 1 15 7 9 1 16 7 39 1 17 8 10 1 18 8 11 2 19 9 40 1 20 9 41 1 21 10 12 2 22 10 13 1 23 11 14 1 24 11 42 1 25 12 15 1 26 13 16 2 27 13 17 1 28 14 17 2 29 14 43 1 30 15 18 1 31 15 19 2 32 16 19 1 33 16 44 1 34 17 45 1 35 18 20 1 36 18 21 2 37 19 46 1 38 20 22 1 39 20 23 1 40 21 24 1 41 21 47 1 42 22 25 1 43 22 24 2 44 23 26 2 45 23 48 1 46 25 27 2 47 25 49 1 48 26 27 1 49 26 50 1 50 27 28 1 51 28 29 1 52 29 30 1 53 29 51 1 54 29 52 1 55 30 31 1 56 30 53 1 57 30 54 1 58 31 32 1 59 32 55 1 60 32 56 1 61 32 57 1 @SUBSTRUCTURE 1 noname 1