@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444208 64 69 1 SMALL USER_CHARGES @ATOM 1 F1 16.2676 -27.7482 0.4348 F 1 noname -0.1536 2 C1 16.0746 -26.6802 -0.2890 C.2 1 noname 0.0617 3 C2 14.9086 -25.9072 -0.1249 C.2 1 noname 0.0510 4 C3 17.0365 -26.3132 -1.2469 C.2 1 noname 0.0259 5 O1 13.9805 -26.2752 0.8090 O.3 1 noname -0.1890 6 C4 14.7355 -24.7452 -0.9018 C.2 1 noname -0.0012 7 C5 16.8515 -25.1732 -2.0518 C.2 1 noname -0.0137 8 C6 12.6636 -26.5291 0.5260 C.2 1 noname 0.0241 9 C7 15.7015 -24.3782 -1.8548 C.2 1 noname -0.0283 10 N1 17.8294 -24.8832 -2.9508 N.3 1 noname -0.1349 11 C8 12.1745 -26.8710 -0.7568 C.2 1 noname -0.0432 12 C9 11.7496 -26.4821 1.5990 C.2 1 noname 0.0336 13 C10 17.6834 -24.3191 -4.1847 C.2 1 noname 0.1221 14 N2 10.8495 -27.1260 -0.9037 N.3 1 noname -0.1123 15 C11 10.3826 -26.7550 1.4081 C.2 1 noname 0.0185 16 O2 16.5343 -24.0101 -4.5837 O.2 1 noname -0.2702 17 C12 18.7943 -24.0911 -5.0456 C.2 1 noname 0.1102 18 C13 9.9645 -27.0799 0.1112 C.2 1 noname -0.0139 19 C14 10.1715 -27.4610 -2.0077 C.2 1 noname -0.0766 20 C15 20.1392 -24.4381 -4.7106 C.2 1 noname 0.1306 21 C16 18.5872 -23.4951 -6.3005 C.2 1 noname 0.0177 22 N3 8.7295 -27.3829 -0.3187 N.2 1 noname -0.2032 23 C17 8.8405 -27.6259 -1.6386 C.2 1 noname 0.0461 24 O3 20.3822 -24.9760 -3.6026 O.2 1 noname -0.2665 25 N4 21.1811 -24.1950 -5.5945 N.3 1 noname -0.1202 26 C18 19.6462 -23.2481 -7.1855 C.2 1 noname -0.0216 27 N5 7.8585 -27.9709 -2.5006 N.3 1 noname -0.1076 28 C19 22.4530 -24.5490 -5.2425 C.2 1 noname -0.0179 29 C20 20.9521 -23.6020 -6.8265 C.2 1 noname -0.0102 30 C21 6.5775 -28.2418 -2.1635 C.2 1 noname 0.1373 31 C22 23.2810 -23.6380 -4.5555 C.2 1 noname -0.0305 32 C23 22.9480 -25.8309 -5.5594 C.2 1 noname -0.0305 33 C24 22.0430 -23.3250 -7.7844 C.3 1 noname -0.0287 34 O4 6.1544 -28.2058 -0.9865 O.2 1 noname -0.2736 35 C25 5.6444 -28.6088 -3.2294 C.3 1 noname 0.0331 36 C26 24.5899 -24.0019 -4.1954 C.2 1 noname -0.0527 37 C27 24.2569 -26.1949 -5.1984 C.2 1 noname -0.0527 38 C28 4.2674 -27.9507 -3.3654 C.3 1 noname -0.0414 39 C29 5.3714 -27.6267 -4.3743 C.3 1 noname -0.0414 40 C30 25.0778 -25.2799 -4.5174 C.2 1 noname -0.0583 41 H1 17.8755 -26.8841 -1.3628 H 1 noname 0.0671 42 H2 13.9065 -24.1652 -0.7738 H 1 noname 0.0651 43 H3 15.5614 -23.5281 -2.3997 H 1 noname 0.0640 44 H4 18.7253 -25.1531 -2.7008 H 1 noname 0.1374 45 H5 12.8065 -26.9330 -1.5557 H 1 noname 0.0824 46 H6 12.0855 -26.2471 2.5330 H 1 noname 0.0652 47 H7 9.7215 -26.7210 2.1841 H 1 noname 0.0660 48 H8 10.5574 -27.5799 -2.9456 H 1 noname 0.0830 49 H9 17.6462 -23.2261 -6.5925 H 1 noname 0.0632 50 H10 19.4572 -22.8120 -8.0884 H 1 noname 0.0636 51 H11 8.0924 -28.0378 -3.4395 H 1 noname 0.1386 52 H12 22.9309 -22.7090 -4.3184 H 1 noname 0.0639 53 H13 22.3560 -26.4989 -6.0534 H 1 noname 0.0639 54 H14 21.6710 -22.8550 -8.6963 H 1 noname 0.0290 55 H15 22.7709 -22.6570 -7.3223 H 1 noname 0.0290 56 H16 22.5359 -24.2599 -8.0543 H 1 noname 0.0290 57 H17 5.7804 -29.6627 -3.4694 H 1 noname 0.0397 58 H18 25.1858 -23.3379 -3.6994 H 1 noname 0.0623 59 H19 24.6109 -27.1228 -5.4313 H 1 noname 0.0623 60 H20 3.9444 -27.1947 -2.6494 H 1 noname 0.0274 61 H21 3.4094 -28.5517 -3.6663 H 1 noname 0.0274 62 H22 5.8184 -26.6327 -4.3793 H 1 noname 0.0274 63 H23 5.2954 -27.9937 -5.3983 H 1 noname 0.0274 64 H24 26.0277 -25.5438 -4.2553 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 41 1 8 5 8 1 9 6 9 2 10 6 42 1 11 7 10 1 12 7 9 1 13 8 11 2 14 8 12 1 15 9 43 1 16 10 13 1 17 10 44 1 18 11 14 1 19 11 45 1 20 12 15 2 21 12 46 1 22 13 16 2 23 13 17 1 24 14 18 1 25 14 19 1 26 15 18 1 27 15 47 1 28 17 20 1 29 17 21 2 30 18 22 2 31 19 23 2 32 19 48 1 33 20 24 2 34 20 25 1 35 21 26 1 36 21 49 1 37 22 23 1 38 23 27 1 39 25 28 1 40 25 29 1 41 26 29 2 42 26 50 1 43 27 30 1 44 27 51 1 45 28 31 2 46 28 32 1 47 29 33 1 48 30 34 2 49 30 35 1 50 31 36 1 51 31 52 1 52 32 37 2 53 32 53 1 54 33 54 1 55 33 55 1 56 33 56 1 57 35 38 1 58 35 39 1 59 35 57 1 60 36 40 2 61 36 58 1 62 37 40 1 63 37 59 1 64 38 39 1 65 38 60 1 66 38 61 1 67 39 62 1 68 39 63 1 69 40 64 1 @SUBSTRUCTURE 1 noname 1