@MOLECULE 91667974 43 43 1 SMALL USER_CHARGES @ATOM 1 Hg1 -1.5550 -3.3542 -2.0614 Hg 1 noname 0.0723 2 O1 0.7897 -5.5108 -1.0968 O.3 1 noname -0.3751 3 O2 1.6936 -7.7824 1.6099 O.3 1 noname -0.3821 4 O3 3.3582 -5.9312 -4.5361 O.3 1 noname -0.2596 5 O4 4.2458 -1.8064 -3.6019 O.2 1 noname -0.2935 6 O5 4.4036 -8.8903 -2.6863 O.3 1 noname -0.2113 7 O6 2.4831 -7.7347 -2.9073 O.2 1 noname -0.2461 8 N1 3.3902 -3.4191 -2.5572 N.3 1 noname -0.0740 9 C1 1.3785 -4.3167 -1.5907 C.3 1 noname 0.0625 10 C2 2.8034 -4.6091 -2.0651 C.3 1 noname 0.0286 11 C3 0.5498 -3.7861 -2.7622 C.3 1 noname -0.0633 12 C4 1.5589 -6.0033 -0.0095 C.3 1 noname 0.0705 13 C5 3.9110 -3.0047 -3.7517 C.2 1 noname 0.0221 14 C6 4.1113 -3.6177 -5.0581 C.2 1 noname 0.0153 15 C7 0.9245 -7.2899 0.5226 C.3 1 noname 0.0697 16 C8 3.8417 -4.9826 -5.4005 C.2 1 noname 0.0377 17 C9 4.6355 -2.7978 -6.1155 C.2 1 noname -0.0112 18 C10 4.0180 -5.4319 -6.7346 C.2 1 noname -0.0168 19 C11 4.8574 -3.2792 -7.4208 C.2 1 noname -0.0584 20 C12 4.5514 -4.6049 -7.7353 C.2 1 noname -0.0374 21 C13 4.3252 -6.9244 -4.1195 C.3 1 noname 0.1390 22 C14 1.1048 -8.9764 2.1037 C.3 1 noname 0.0357 23 C15 3.6892 -7.8699 -3.2068 C.2 1 noname 0.1487 24 H1 1.4058 -3.5699 -0.7972 H 1 noname 0.0608 25 H2 2.7762 -5.3559 -2.8586 H 1 noname 0.0459 26 H3 3.3939 -4.9871 -1.2304 H 1 noname 0.0459 27 H4 0.5225 -4.5329 -3.5557 H 1 noname 0.0188 28 H5 1.0017 -2.8695 -3.1413 H 1 noname 0.0188 29 H6 3.4338 -2.7261 -1.8798 H 1 noname 0.1314 30 H7 1.5862 -5.2565 0.7840 H 1 noname 0.0590 31 H8 2.5740 -6.2116 -0.3475 H 1 noname 0.0590 32 H9 -0.0907 -7.0816 0.8605 H 1 noname 0.0590 33 H10 0.8972 -8.0367 -0.2709 H 1 noname 0.0590 34 H11 4.8692 -1.8155 -5.9666 H 1 noname 0.0631 35 H12 3.7873 -6.4047 -6.9901 H 1 noname 0.0650 36 H13 5.2439 -2.6664 -8.1549 H 1 noname 0.0622 37 H14 4.7123 -4.9811 -8.6730 H 1 noname 0.0623 38 H15 4.6977 -7.4580 -4.9939 H 1 noname 0.0682 39 H16 5.1556 -6.4328 -3.6128 H 1 noname 0.0682 40 H17 1.6953 -9.3545 2.9383 H 1 noname 0.0529 41 H18 0.0897 -8.7682 2.4417 H 1 noname 0.0529 42 H19 1.0776 -9.7233 1.3102 H 1 noname 0.0529 43 H20 4.1778 -9.2452 -1.8011 H 1 noname 0.2213 @BOND 1 1 11 1 2 2 9 1 3 2 12 1 4 3 15 1 5 3 22 1 6 4 16 1 7 4 21 1 8 5 13 2 9 6 23 1 10 6 43 1 11 7 23 2 12 8 10 1 13 8 13 1 14 8 29 1 15 9 10 1 16 9 11 1 17 9 24 1 18 10 25 1 19 10 26 1 20 11 27 1 21 11 28 1 22 12 15 1 23 12 30 1 24 12 31 1 25 13 14 1 26 14 16 1 27 14 17 2 28 15 32 1 29 15 33 1 30 16 18 2 31 17 19 1 32 17 34 1 33 18 20 1 34 18 35 1 35 19 20 2 36 19 36 1 37 20 37 1 38 21 23 1 39 21 38 1 40 21 39 1 41 22 40 1 42 22 41 1 43 22 42 1 @SUBSTRUCTURE 1 noname 1