@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444209 61 66 1 SMALL USER_CHARGES @ATOM 1 F1 11.2431 -16.5906 0.8683 F 1 noname -0.1536 2 C1 11.6110 -17.7486 0.3944 C.2 1 noname 0.0617 3 C2 10.7860 -18.8795 0.5504 C.2 1 noname 0.0510 4 C3 12.8350 -17.8545 -0.2895 C.2 1 noname 0.0259 5 O1 9.6089 -18.7525 1.2375 O.3 1 noname -0.1890 6 C4 11.2110 -20.1185 0.0295 C.2 1 noname -0.0012 7 C5 13.2630 -19.0955 -0.8084 C.2 1 noname -0.0137 8 C6 8.4089 -19.2525 0.8095 C.2 1 noname 0.0241 9 C7 12.4339 -20.2215 -0.6534 C.2 1 noname -0.0283 10 N1 14.4219 -19.2555 -1.5014 N.3 1 noname -0.1349 11 C8 8.0449 -19.3525 -0.5524 C.2 1 noname -0.0432 12 C9 7.4729 -19.6515 1.7855 C.2 1 noname 0.0336 13 C10 15.6269 -18.6764 -1.2314 C.2 1 noname 0.1220 14 N2 6.8188 -19.8444 -0.8643 N.3 1 noname -0.1123 15 C11 6.2128 -20.1615 1.4236 C.2 1 noname 0.0185 16 O2 15.7298 -17.9214 -0.2343 O.2 1 noname -0.2702 17 C12 16.7768 -18.9194 -2.0353 C.2 1 noname 0.1097 18 C13 5.9187 -20.2434 0.0557 C.2 1 noname -0.0139 19 C14 6.2638 -20.0304 -2.0683 C.2 1 noname -0.0766 20 C15 16.7728 -19.7803 -3.1763 C.2 1 noname 0.1299 21 C16 17.9938 -18.2893 -1.7153 C.2 1 noname 0.0162 22 N3 4.7957 -20.6844 -0.5332 N.2 1 noname -0.2032 23 C17 4.9947 -20.5593 -1.8592 C.2 1 noname 0.0461 24 O3 15.7178 -20.3703 -3.5153 O.2 1 noname -0.2667 25 N4 17.9267 -19.9763 -3.9183 N.3 1 noname -0.1228 26 C18 19.1558 -18.4963 -2.4762 C.2 1 noname -0.0258 27 N5 4.1386 -20.8723 -2.8572 N.3 1 noname -0.1076 28 C19 17.9287 -20.7953 -5.0082 C.2 1 noname -0.0181 29 C20 19.1017 -19.3502 -3.5802 C.2 1 noname -0.0163 30 C21 2.9116 -21.4182 -2.6982 C.2 1 noname 0.1373 31 C22 17.5766 -20.2902 -6.2772 C.2 1 noname -0.0309 32 C23 18.2717 -22.1562 -4.8762 C.2 1 noname -0.0309 33 O4 2.4296 -21.7132 -1.5811 O.2 1 noname -0.2736 34 C24 2.1106 -21.6772 -3.8941 C.3 1 noname 0.0331 35 C25 17.5696 -21.1351 -7.3991 C.2 1 noname -0.0528 36 C26 18.2656 -23.0012 -5.9992 C.2 1 noname -0.0528 37 C27 0.7105 -21.0712 -4.0441 C.3 1 noname -0.0414 38 C28 1.8545 -20.5772 -4.9301 C.3 1 noname -0.0414 39 C29 17.9155 -22.4901 -7.2611 C.2 1 noname -0.0586 40 H1 13.4140 -17.0225 -0.4124 H 1 noname 0.0671 41 H2 10.6279 -20.9475 0.1465 H 1 noname 0.0651 42 H3 12.7219 -21.1245 -1.0324 H 1 noname 0.0640 43 H4 14.3919 -19.8784 -2.2424 H 1 noname 0.1374 44 H5 8.6898 -19.0564 -1.2863 H 1 noname 0.0824 45 H6 7.7148 -19.5734 2.7736 H 1 noname 0.0652 46 H7 5.5378 -20.4564 2.1286 H 1 noname 0.0660 47 H8 6.6907 -19.8233 -2.9733 H 1 noname 0.0830 48 H9 18.0518 -17.6613 -0.9112 H 1 noname 0.0632 49 H10 20.0268 -18.0282 -2.2262 H 1 noname 0.0633 50 H11 4.4256 -20.6882 -3.7641 H 1 noname 0.1386 51 H12 19.9527 -19.4962 -4.1282 H 1 noname 0.0760 52 H13 17.3216 -19.3071 -6.3832 H 1 noname 0.0639 53 H14 18.5246 -22.5332 -3.9611 H 1 noname 0.0639 54 H15 2.2795 -22.7052 -4.2151 H 1 noname 0.0397 55 H16 17.3135 -20.7651 -8.3151 H 1 noname 0.0623 56 H17 18.5156 -23.9851 -5.8981 H 1 noname 0.0623 57 H18 0.3025 -20.4221 -3.2690 H 1 noname 0.0274 58 H19 -0.0934 -21.6652 -4.4770 H 1 noname 0.0274 59 H20 2.2495 -19.5701 -4.7861 H 1 noname 0.0274 60 H21 1.8654 -20.8191 -5.9920 H 1 noname 0.0274 61 H22 17.9115 -23.1041 -8.0760 H 1 noname 0.0622 @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 40 1 8 5 8 1 9 6 9 2 10 6 41 1 11 7 10 1 12 7 9 1 13 8 11 2 14 8 12 1 15 9 42 1 16 10 13 1 17 10 43 1 18 11 14 1 19 11 44 1 20 12 15 2 21 12 45 1 22 13 16 2 23 13 17 1 24 14 18 1 25 14 19 1 26 15 18 1 27 15 46 1 28 17 20 1 29 17 21 2 30 18 22 2 31 19 23 2 32 19 47 1 33 20 24 2 34 20 25 1 35 21 26 1 36 21 48 1 37 22 23 1 38 23 27 1 39 25 28 1 40 25 29 1 41 26 29 2 42 26 49 1 43 27 30 1 44 27 50 1 45 28 31 2 46 28 32 1 47 29 51 1 48 30 33 2 49 30 34 1 50 31 35 1 51 31 52 1 52 32 36 2 53 32 53 1 54 34 37 1 55 34 38 1 56 34 54 1 57 35 39 2 58 35 55 1 59 36 39 1 60 36 56 1 61 37 38 1 62 37 57 1 63 37 58 1 64 38 59 1 65 38 60 1 66 39 61 1 @SUBSTRUCTURE 1 noname 1