@MOLECULE 56643874 63 65 1 SMALL USER_CHARGES @ATOM 1 F1 -4.2910 5.9908 1.2633 F 1 noname -0.1655 2 O1 0.4794 2.4199 -0.3664 O.3 1 noname -0.3607 3 O2 -3.3684 -3.3323 -1.1869 O.2 1 noname -0.2976 4 N1 2.5039 2.1067 -5.1807 N.3 1 noname -0.3093 5 N2 1.2271 -5.2800 2.2017 N.3 1 noname -0.3093 6 C1 -0.6340 2.5308 -1.3048 C.3 1 noname 0.1190 7 C2 -0.0593 2.9890 -2.6891 C.3 1 noname -0.0141 8 C3 -1.2053 1.1775 -1.4129 C.2 1 noname -0.0073 9 C4 -0.3711 0.3328 -0.7187 C.2 1 noname -0.0148 10 C5 -1.6214 3.4537 -0.6329 C.2 1 noname -0.0417 11 C6 0.7855 1.0300 -0.1775 C.3 1 noname 0.0738 12 C7 1.0720 2.1771 -3.3358 C.3 1 noname -0.0370 13 C8 -2.3879 0.6715 -2.0301 C.2 1 noname -0.0296 14 C9 1.4850 2.9473 -4.5723 C.3 1 noname -0.0023 15 C10 -0.6738 -1.0172 -0.5607 C.2 1 noname -0.0030 16 C11 -1.8944 -1.5688 -1.0305 C.2 1 noname -0.0142 17 C12 -2.7344 -0.6939 -1.7997 C.2 1 noname -0.0139 18 C13 -2.2065 3.0866 0.6186 C.2 1 noname -0.0304 19 C14 -1.9930 4.7052 -1.1954 C.2 1 noname -0.0304 20 C15 -2.2768 -2.9229 -0.7391 C.2 1 noname 0.0942 21 C16 -3.1149 3.9470 1.2611 C.2 1 noname -0.0044 22 C17 -2.8901 5.5564 -0.5476 C.2 1 noname -0.0044 23 C18 -1.6390 -4.0270 0.0354 C.3 1 noname 0.0120 24 C19 -3.4520 5.1801 0.6783 C.2 1 noname 0.0236 25 C20 -0.3036 -3.9715 0.8181 C.3 1 noname -0.0332 26 C21 2.9951 2.7429 -6.4020 C.3 1 noname -0.0136 27 C22 1.9286 0.8031 -5.5077 C.3 1 noname -0.0136 28 C23 -0.0334 -5.3325 1.4628 C.3 1 noname -0.0020 29 C24 1.4853 -6.5805 2.8177 C.3 1 noname -0.0136 30 C25 2.3165 -4.9506 1.2840 C.3 1 noname -0.0136 31 H1 -0.8763 3.1050 -3.4013 H 1 noname 0.0303 32 H2 0.3395 3.9950 -2.5582 H 1 noname 0.0303 33 H3 0.8714 0.8184 0.8883 H 1 noname 0.0618 34 H4 1.6825 0.6854 -0.6922 H 1 noname 0.0618 35 H5 0.6949 1.1969 -3.6274 H 1 noname 0.0281 36 H6 1.9195 2.0386 -2.6645 H 1 noname 0.0281 37 H7 -2.9985 1.2704 -2.6207 H 1 noname 0.0627 38 H8 0.6339 3.0333 -5.2480 H 1 noname 0.0430 39 H9 1.8760 3.9363 -4.3334 H 1 noname 0.0430 40 H10 0.0167 -1.5639 -0.0799 H 1 noname 0.0634 41 H11 -3.6178 -1.0237 -2.2033 H 1 noname 0.0630 42 H12 -1.9758 2.1931 1.0740 H 1 noname 0.0627 43 H13 -1.6140 5.0360 -2.0806 H 1 noname 0.0627 44 H14 -3.5249 3.6685 2.1554 H 1 noname 0.0653 45 H15 -3.1124 6.4481 -0.9922 H 1 noname 0.0653 46 H16 -2.3938 -4.5300 0.6399 H 1 noname 0.0350 47 H17 -1.5007 -4.8170 -0.7028 H 1 noname 0.0350 48 H18 -0.3686 -3.2085 1.5938 H 1 noname 0.0284 49 H19 0.5086 -3.7259 0.1340 H 1 noname 0.0284 50 H20 2.6923 0.1730 -5.9637 H 1 noname 0.0394 51 H21 1.1023 0.9354 -6.2061 H 1 noname 0.0394 52 H22 1.5624 0.3288 -4.5972 H 1 noname 0.0394 53 H23 3.7588 2.1128 -6.8579 H 1 noname 0.0394 54 H24 2.1687 2.8753 -7.1003 H 1 noname 0.0394 55 H25 3.4240 3.7148 -6.1581 H 1 noname 0.0394 56 H26 -0.8456 -5.5781 2.1470 H 1 noname 0.0430 57 H27 0.0316 -6.0955 0.6871 H 1 noname 0.0430 58 H28 2.4251 -6.5414 3.3686 H 1 noname 0.0394 59 H29 0.6731 -6.8262 3.5019 H 1 noname 0.0394 60 H30 3.2563 -4.9115 1.8349 H 1 noname 0.0394 61 H31 2.1240 -3.9810 0.8247 H 1 noname 0.0394 62 H32 2.3815 -5.7136 0.5083 H 1 noname 0.0394 63 H33 1.5503 -7.3435 2.0420 H 1 noname 0.0394 @BOND 1 1 24 1 2 2 6 1 3 2 11 1 4 3 20 2 5 4 14 1 6 4 26 1 7 4 27 1 8 5 28 1 9 5 29 1 10 5 30 1 11 6 7 1 12 6 8 1 13 6 10 1 14 7 12 1 15 7 31 1 16 7 32 1 17 8 9 2 18 8 13 1 19 9 11 1 20 9 15 1 21 10 18 2 22 10 19 1 23 11 33 1 24 11 34 1 25 12 14 1 26 12 35 1 27 12 36 1 28 13 17 2 29 13 37 1 30 14 38 1 31 14 39 1 32 15 16 2 33 15 40 1 34 16 17 1 35 16 20 1 36 17 41 1 37 18 21 1 38 18 42 1 39 19 22 2 40 19 43 1 41 20 23 1 42 21 24 2 43 21 44 1 44 22 24 1 45 22 45 1 46 23 25 1 47 23 46 1 48 23 47 1 49 25 28 1 50 25 48 1 51 25 49 1 52 26 53 1 53 26 54 1 54 26 55 1 55 27 50 1 56 27 51 1 57 27 52 1 58 28 56 1 59 28 57 1 60 29 58 1 61 29 59 1 62 29 63 1 63 30 60 1 64 30 61 1 65 30 62 1 @SUBSTRUCTURE 1 noname 1