@MOLECULE 91885568 64 68 1 SMALL USER_CHARGES @ATOM 1 F1 14.4763 -1.3612 -5.7890 F 1 noname -0.1550 2 O1 1.2589 -4.2193 2.2313 O.2 1 noname -0.2608 3 O2 1.7355 -1.1946 0.3302 O.2 1 noname -0.2491 4 N1 8.2783 -1.3867 -0.6366 N.3 1 noname -0.1342 5 N2 10.1836 -1.9208 -2.4748 N.3 1 noname -0.0607 6 N3 0.1998 -1.1233 2.9581 N.3 1 noname -0.0231 7 N4 12.2035 -2.8592 -3.4093 N.2 1 noname -0.2149 8 N5 11.3003 -0.8209 -4.1977 N.2 1 noname -0.2149 9 N6 3.1656 -3.0629 0.4871 N.3 1 noname -0.1297 10 C1 8.2592 -0.5495 -1.8232 C.3 1 noname 0.0164 11 C2 9.5515 -1.7403 -0.0332 C.3 1 noname 0.0164 12 C3 10.4838 -2.3762 -1.1216 C.3 1 noname 0.0192 13 C4 8.8599 -1.4735 -2.9118 C.3 1 noname 0.0192 14 C5 7.0795 -1.8697 -0.1880 C.2 1 noname -0.0312 15 C6 11.2145 -1.9141 -3.3628 C.2 1 noname 0.0804 16 C7 6.6533 -3.1999 -0.5462 C.2 1 noname -0.0587 17 C8 6.2397 -0.9553 0.5319 C.2 1 noname -0.0587 18 C9 5.3192 -3.5849 -0.2466 C.2 1 noname -0.0362 19 C10 4.9083 -1.3412 0.8178 C.2 1 noname -0.0362 20 C11 4.4566 -2.6361 0.3875 C.2 1 noname -0.0530 21 C12 -0.0222 -2.1509 2.1220 C.2 1 noname -0.0684 22 C13 -1.3599 -2.1461 1.6751 C.2 1 noname 0.0122 23 C14 -0.9237 -0.4101 3.0971 C.2 1 noname -0.0717 24 C15 -1.8973 -1.0181 2.3202 C.2 1 noname -0.0279 25 C16 1.0892 -3.0621 1.7902 C.2 1 noname 0.1370 26 C17 -2.0742 -3.0319 0.7668 C.2 1 noname -0.0386 27 C18 1.9953 -2.3220 0.8035 C.2 1 noname 0.1622 28 C19 1.4272 -0.8399 3.5915 C.3 1 noname -0.0592 29 C20 13.3136 -2.7018 -4.2248 C.2 1 noname 0.0616 30 C21 12.3590 -0.6081 -5.0195 C.2 1 noname 0.0616 31 C22 -1.0929 0.7869 3.9156 C.3 1 noname 0.0104 32 C23 13.4286 -1.5517 -5.0417 C.2 1 noname 0.0493 33 C24 -3.5172 -2.9781 0.6404 C.2 1 noname -0.0415 34 C25 -1.3578 -3.9980 -0.0340 C.2 1 noname -0.0415 35 C26 -4.2258 -3.8584 -0.2358 C.2 1 noname -0.0560 36 C27 -2.0378 -4.8921 -0.9170 C.2 1 noname -0.0560 37 C28 -3.4649 -4.8009 -0.9937 C.2 1 noname -0.0549 38 H1 9.3862 -2.4596 0.7689 H 1 noname 0.0448 39 H2 10.0052 -0.8243 0.3453 H 1 noname 0.0448 40 H3 7.2280 -0.3075 -2.0805 H 1 noname 0.0448 41 H4 8.9359 0.2952 -1.6940 H 1 noname 0.0448 42 H5 10.4047 -3.4625 -1.0779 H 1 noname 0.0449 43 H6 11.5365 -2.2073 -0.8951 H 1 noname 0.0449 44 H7 8.2120 -2.3388 -3.0518 H 1 noname 0.0449 45 H8 8.9300 -0.9949 -3.8885 H 1 noname 0.0449 46 H9 7.2941 -3.8485 -1.0035 H 1 noname 0.0639 47 H10 6.5946 -0.0470 0.8311 H 1 noname 0.0639 48 H11 4.9830 -4.5195 -0.4790 H 1 noname 0.0639 49 H12 4.2813 -0.7123 1.3195 H 1 noname 0.0639 50 H13 -2.8606 -0.6952 2.2299 H 1 noname 0.0646 51 H14 3.0261 -4.0078 0.3176 H 1 noname 0.1375 52 H15 1.7175 -1.6849 4.2158 H 1 noname 0.0436 53 H16 1.3191 0.0499 4.2118 H 1 noname 0.0436 54 H17 2.1939 -0.6656 2.8366 H 1 noname 0.0436 55 H18 14.0452 -3.4125 -4.2361 H 1 noname 0.0872 56 H19 12.3896 0.2188 -5.6158 H 1 noname 0.0872 57 H20 -1.8628 0.6081 4.6661 H 1 noname 0.0293 58 H21 -1.3907 1.6218 3.2813 H 1 noname 0.0293 59 H22 -0.1513 1.0246 4.4106 H 1 noname 0.0293 60 H23 -4.0398 -2.2958 1.1897 H 1 noname 0.0629 61 H24 -0.3410 -4.0428 0.0327 H 1 noname 0.0629 62 H25 -5.2417 -3.8150 -0.3170 H 1 noname 0.0622 63 H26 -1.5232 -5.5735 -1.4749 H 1 noname 0.0622 64 H27 -3.9607 -5.4375 -1.6177 H 1 noname 0.0622 @BOND 1 1 32 1 2 2 25 2 3 3 27 2 4 4 10 1 5 4 11 1 6 4 14 1 7 5 12 1 8 5 13 1 9 5 15 1 10 6 21 1 11 6 23 1 12 6 28 1 13 7 15 2 14 7 29 1 15 8 15 1 16 8 30 2 17 9 20 1 18 9 27 1 19 9 51 1 20 10 13 1 21 10 40 1 22 10 41 1 23 11 12 1 24 11 38 1 25 11 39 1 26 12 42 1 27 12 43 1 28 13 44 1 29 13 45 1 30 14 16 2 31 14 17 1 32 16 18 1 33 16 46 1 34 17 19 2 35 17 47 1 36 18 20 2 37 18 48 1 38 19 20 1 39 19 49 1 40 21 22 2 41 21 25 1 42 22 24 1 43 22 26 1 44 23 24 2 45 23 31 1 46 24 50 1 47 25 27 1 48 26 33 2 49 26 34 1 50 28 52 1 51 28 53 1 52 28 54 1 53 29 32 2 54 29 55 1 55 30 32 1 56 30 56 1 57 31 57 1 58 31 58 1 59 31 59 1 60 33 35 1 61 33 60 1 62 34 36 2 63 34 61 1 64 35 37 2 65 35 62 1 66 36 37 1 67 36 63 1 68 37 64 1 @SUBSTRUCTURE 1 noname 1