@MOLECULE 109374089 59 62 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.8917 3.5159 4.1023 Cl 1 noname -0.1192 2 F1 1.3512 -1.3705 4.5220 F 1 noname -0.2392 3 F2 -2.1882 0.1407 1.5620 F 1 noname -0.2424 4 O1 4.6594 0.8036 4.7485 O.3 1 noname -0.3797 5 O2 2.8357 -3.1112 1.6832 O.3 1 noname -0.3896 6 O3 7.0108 -0.0041 3.6346 O.2 1 noname -0.2772 7 O4 6.8876 3.2950 2.6704 O.3 1 noname -0.2023 8 O5 -3.8398 -3.3114 4.5354 O.2 1 noname -0.3030 9 O6 7.0694 5.4258 1.9770 O.2 1 noname -0.2548 10 C1 3.9814 -0.2243 2.6174 C.3 1 noname 0.0109 11 C2 2.5524 0.3949 2.7680 C.3 1 noname -0.0250 12 C3 1.3881 -0.5282 2.2722 C.3 1 noname 0.0033 13 C4 1.3203 -1.8044 3.2021 C.3 1 noname 0.1521 14 C5 4.7806 0.9437 3.3373 C.3 1 noname 0.1470 15 C6 3.9853 -1.6538 3.2902 C.3 1 noname -0.0148 16 C7 2.6734 1.8465 2.2900 C.3 1 noname -0.0296 17 C8 2.7130 -2.5546 3.0001 C.3 1 noname 0.0902 18 C9 -0.0683 -2.6321 3.1047 C.3 1 noname 0.0470 19 C10 4.0489 2.2735 2.8481 C.3 1 noname 0.0704 20 C11 0.0467 0.2369 2.2033 C.3 1 noname -0.0114 21 C12 4.4202 -0.4445 1.1198 C.3 1 noname -0.0560 22 C13 -1.0920 -0.6883 1.7285 C.3 1 noname 0.1230 23 C14 -1.2559 -1.7820 2.7005 C.2 1 noname -0.0050 24 C15 6.2846 0.9361 3.2253 C.2 1 noname 0.1759 25 C16 -0.0120 -3.7804 2.0454 C.3 1 noname -0.0490 26 C17 -0.3600 -3.3379 4.3985 C.2 1 noname -0.0375 27 C18 -2.4876 -2.0338 3.2142 C.2 1 noname 0.0334 28 C19 6.9715 1.8884 2.3750 C.3 1 noname 0.1179 29 C20 -1.5892 -3.4654 4.9033 C.2 1 noname 0.0176 30 C21 -2.6807 -2.9598 4.2211 C.2 1 noname 0.0668 31 C22 7.1694 4.2173 1.6727 C.2 1 noname 0.1405 32 C23 7.5100 3.9193 0.2404 C.3 1 noname 0.0220 33 H1 2.3475 0.5522 3.8306 H 1 noname 0.0314 34 H2 1.5860 -0.8393 1.2443 H 1 noname 0.0341 35 H3 4.0938 -1.5467 4.3677 H 1 noname 0.0301 36 H4 4.8764 -2.2035 2.9647 H 1 noname 0.0301 37 H5 1.8677 2.4733 2.6787 H 1 noname 0.0286 38 H6 2.6515 1.9106 1.1994 H 1 noname 0.0286 39 H7 2.7602 -3.4096 3.6803 H 1 noname 0.0634 40 H8 4.5305 2.7750 2.0087 H 1 noname 0.0506 41 H9 -0.2080 0.6504 3.1845 H 1 noname 0.0303 42 H10 0.1385 1.0668 1.4952 H 1 noname 0.0303 43 H11 5.4160 -0.8871 1.0719 H 1 noname 0.0237 44 H12 3.7580 -1.1248 0.5883 H 1 noname 0.0237 45 H13 4.4425 0.4726 0.5401 H 1 noname 0.0237 46 H14 -0.8695 -1.1027 0.7381 H 1 noname 0.0709 47 H15 -0.9592 -4.3299 1.9994 H 1 noname 0.0244 48 H16 0.1896 -3.3833 1.0484 H 1 noname 0.0244 49 H17 0.7640 -4.5101 2.2883 H 1 noname 0.0244 50 H18 0.3970 -3.7271 4.9190 H 1 noname 0.0587 51 H19 5.1824 1.5409 5.1300 H 1 noname 0.2115 52 H20 3.7237 -3.5311 1.6429 H 1 noname 0.2105 53 H21 -3.2854 -1.5366 2.8928 H 1 noname 0.0664 54 H22 6.4974 1.7325 1.4170 H 1 noname 0.0657 55 H23 8.0351 1.6785 2.2206 H 1 noname 0.0657 56 H24 -1.7308 -3.9162 5.7819 H 1 noname 0.0660 57 H25 7.8644 2.9073 0.0956 H 1 noname 0.0336 58 H26 6.6335 4.0902 -0.3846 H 1 noname 0.0336 59 H27 8.2399 4.6529 -0.1017 H 1 noname 0.0336 @BOND 1 19 1 1 2 13 2 1 3 22 3 1 4 14 4 1 5 4 51 1 6 17 5 1 7 5 52 1 8 6 24 2 9 7 28 1 10 7 31 1 11 8 30 2 12 9 31 2 13 10 11 1 14 10 14 1 15 10 15 1 16 10 21 1 17 11 12 1 18 11 16 1 19 11 33 1 20 12 13 1 21 12 20 1 22 12 34 1 23 13 17 1 24 13 18 1 25 14 19 1 26 14 24 1 27 15 17 1 28 15 35 1 29 15 36 1 30 16 19 1 31 16 37 1 32 16 38 1 33 17 39 1 34 18 23 1 35 18 25 1 36 18 26 1 37 19 40 1 38 20 22 1 39 20 41 1 40 20 42 1 41 21 43 1 42 21 44 1 43 21 45 1 44 22 23 1 45 22 46 1 46 23 27 2 47 24 28 1 48 25 47 1 49 25 48 1 50 25 49 1 51 26 29 2 52 26 50 1 53 27 30 1 54 27 53 1 55 28 54 1 56 28 55 1 57 29 30 1 58 29 56 1 59 31 32 1 60 32 57 1 61 32 58 1 62 32 59 1 @SUBSTRUCTURE 1 noname 1