@MOLECULE DB02008 60 63 1 SMALL USER_CHARGES @ATOM 1 F1 -1.1873 -5.9339 0.5430 F 1 noname -0.1634 2 C1 -0.0642 -5.3733 0.2011 C.2 1 noname 0.0311 3 C2 0.1493 -4.0258 0.4673 C.2 1 noname 0.0039 4 C3 0.9223 -6.1217 -0.4304 C.2 1 noname -0.0064 5 C4 1.3492 -3.4267 0.1020 C.2 1 noname -0.0364 6 C5 -0.8869 -3.2396 1.1306 C.3 1 noname 0.0433 7 C6 2.1222 -5.5227 -0.7957 C.2 1 noname -0.0448 8 C7 2.3357 -4.1752 -0.5295 C.2 1 noname -0.0620 9 N1 -0.4401 -1.9118 1.2894 N.3 1 noname 0.1051 10 C8 0.2397 -1.5976 2.4499 C.2 1 noname 0.0958 11 C9 -0.7106 -1.0242 0.2819 C.2 1 noname 0.0724 12 O1 0.4492 -2.4651 3.3250 O.2 1 noname -0.2624 13 N2 0.6790 -0.3084 2.6173 N.3 1 noname -0.0859 14 O2 -1.3585 -1.3603 -0.7328 O.2 1 noname -0.2773 15 C10 -0.2187 0.2951 0.4480 C.2 1 noname -0.0172 16 C11 0.4705 0.6116 1.6221 C.2 1 noname 0.0838 17 C12 1.3403 0.0677 3.8045 C.3 1 noname 0.0137 18 N3 -0.2097 1.3586 -0.3676 N.3 1 noname -0.0014 19 N4 0.8914 1.8880 1.5046 N.2 1 noname -0.2032 20 C13 2.8457 -0.1508 3.6409 C.3 1 noname -0.0397 21 C14 0.4880 2.3142 0.2866 C.2 1 noname -0.0132 22 C15 3.5633 0.2573 4.9291 C.3 1 noname -0.0549 23 C16 0.7706 3.6405 -0.2545 C.3 1 noname 0.0659 24 C17 5.0687 0.0388 4.7655 C.3 1 noname -0.0653 25 C18 2.0327 3.6082 -0.9877 C.2 1 noname -0.0526 26 C19 2.5127 4.7621 -1.5963 C.2 1 noname -0.0469 27 C20 2.7543 2.4236 -1.0772 C.2 1 noname -0.0469 28 C21 3.7143 4.7313 -2.2943 C.2 1 noname -0.0351 29 C22 3.9560 2.3928 -1.7753 C.2 1 noname -0.0351 30 C23 4.4359 3.5467 -2.3838 C.2 1 noname -0.0214 31 N5 5.5943 3.5171 -3.0568 N.3 1 noname -0.1407 32 C24 5.7868 4.3410 -4.0958 C.2 1 noname 0.1270 33 O3 6.8674 4.3134 -4.7236 O.2 1 noname -0.2773 34 C25 4.7344 5.2711 -4.4947 C.3 1 noname 0.0098 35 H1 0.7549 -7.1783 -0.6391 H 1 noname 0.0653 36 H2 1.5165 -2.3701 0.3107 H 1 noname 0.0627 37 H3 -1.7422 -3.1936 0.4564 H 1 noname 0.0493 38 H4 -1.0069 -3.6420 2.1365 H 1 noname 0.0493 39 H5 2.8958 -6.1096 -1.2909 H 1 noname 0.0623 40 H6 3.2766 -3.7054 -0.8160 H 1 noname 0.0622 41 H7 1.1615 1.1380 3.9077 H 1 noname 0.0441 42 H8 0.9779 -0.6214 4.5673 H 1 noname 0.0441 43 H9 -0.6374 1.4256 -1.2801 H 1 noname 0.1542 44 H10 2.9970 -1.2237 3.5229 H 1 noname 0.0280 45 H11 3.1806 0.5356 2.8632 H 1 noname 0.0280 46 H12 3.4120 1.3303 5.0472 H 1 noname 0.0264 47 H13 3.2284 -0.4291 5.7068 H 1 noname 0.0264 48 H14 -0.0111 3.8562 -0.9829 H 1 noname 0.0395 49 H15 0.9188 4.3032 0.5981 H 1 noname 0.0395 50 H16 5.5350 -0.0288 5.7485 H 1 noname 0.0230 51 H17 5.2440 -0.8859 4.2158 H 1 noname 0.0230 52 H18 5.4997 0.8756 4.2158 H 1 noname 0.0230 53 H19 1.9468 5.6910 -1.5261 H 1 noname 0.0626 54 H20 2.3780 1.5187 -0.6000 H 1 noname 0.0626 55 H21 4.0906 5.6362 -2.7715 H 1 noname 0.0639 56 H22 4.5219 1.4639 -1.8455 H 1 noname 0.0639 57 H23 6.3223 2.8737 -2.7808 H 1 noname 0.1370 58 H24 4.2621 5.6884 -3.6054 H 1 noname 0.0324 59 H25 5.1671 6.0764 -5.0883 H 1 noname 0.0324 60 H26 3.9884 4.7427 -5.0883 H 1 noname 0.0324 @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 5 8 2 8 6 9 1 9 7 8 1 10 9 10 1 11 9 11 1 12 10 12 2 13 10 13 1 14 11 14 2 15 11 15 1 16 13 16 1 17 13 17 1 18 15 18 1 19 15 16 2 20 16 19 1 21 17 20 1 22 18 21 1 23 19 21 2 24 20 22 1 25 21 23 1 26 22 24 1 27 23 25 1 28 25 26 2 29 25 27 1 30 26 28 1 31 27 29 2 32 28 30 2 33 29 30 1 34 30 31 1 35 31 32 1 36 32 33 2 37 32 34 1 38 4 35 1 39 5 36 1 40 6 37 1 41 6 38 1 42 7 39 1 43 8 40 1 44 17 41 1 45 17 42 1 46 18 43 1 47 20 44 1 48 20 45 1 49 22 46 1 50 22 47 1 51 23 48 1 52 23 49 1 53 24 50 1 54 24 51 1 55 24 52 1 56 26 53 1 57 27 54 1 58 28 55 1 59 29 56 1 60 31 57 1 61 34 58 1 62 34 59 1 63 34 60 1 @SUBSTRUCTURE 1 noname 1