@MOLECULE FDBD03145 67 72 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3191 -3.4426 6.4996 C.ar 1 UNK 0.0000 2 C1 -3.1956 -2.3229 5.6788 C.ar 1 UNK 0.0000 3 C2 -2.1081 -2.1580 4.8775 C.ar 1 UNK 0.0000 4 C3 -1.0921 -3.1291 4.8755 C.ar 1 UNK 0.0000 5 C4 -1.2174 -4.2675 5.7107 C.ar 1 UNK 0.0000 6 C5 -2.3555 -4.4033 6.5241 C.ar 1 UNK 0.0000 7 C6 -0.2020 -5.2386 5.7084 C.ar 1 UNK 0.0000 8 C7 0.8857 -5.0738 4.9066 C.ar 1 UNK 0.0000 9 C8 1.0089 -3.9548 4.0857 C.ar 1 UNK 0.0000 10 C9 0.0456 -2.9933 4.0623 C.ar 1 UNK 0.0000 11 S 0.2231 -1.5871 3.0155 S.O2 1 UNK 0.0000 12 O -1.0925 -1.1695 2.6779 O.2 1 UNK 0.0000 13 O1 1.1714 -0.7359 3.6443 O.2 1 UNK 0.0000 14 O2 0.8670 -2.0665 1.7224 O.3 1 UNK 0.0000 15 Hg -0.4116 -2.5997 0.3499 Hg 1 UNK 0.0000 16 C10 -1.7884 -3.1738 -1.1281 C.ar 1 UNK 0.0000 17 C11 -3.1455 -3.0904 -0.8784 C.ar 1 UNK 0.0000 18 C12 -4.0518 -3.4684 -1.8513 C.ar 1 UNK 0.0000 19 C13 -3.6011 -3.9293 -3.0741 C.ar 1 UNK 0.0000 20 C14 -2.2441 -4.0118 -3.3242 C.ar 1 UNK 0.0000 21 C15 -1.3378 -3.6298 -2.3528 C.ar 1 UNK 0.0000 22 C16 2.2272 -3.8062 3.2113 C.3 1 UNK 0.0000 23 C17 2.9605 -2.5429 3.5820 C.ar 1 UNK 0.0000 24 C18 3.4648 -2.4047 4.8389 C.ar 1 UNK 0.0000 25 C19 4.1490 -1.2282 5.1879 C.ar 1 UNK 0.0000 26 C20 4.3034 -0.2017 4.2226 C.ar 1 UNK 0.0000 27 C21 3.7691 -0.3806 2.9355 C.ar 1 UNK 0.0000 28 C22 3.1172 -1.5363 2.6315 C.ar 1 UNK 0.0000 29 C23 4.9882 0.9749 4.5716 C.ar 1 UNK 0.0000 30 C24 5.4927 1.1128 5.8280 C.ar 1 UNK 0.0000 31 C25 5.3409 0.1035 6.7772 C.ar 1 UNK 0.0000 32 C26 4.6838 -1.0493 6.4752 C.ar 1 UNK 0.0000 33 S1 3.2599 -3.6941 6.0221 S.O2 1 UNK 0.0000 34 O3 4.3766 -3.6166 6.8974 O.2 1 UNK 0.0000 35 O4 1.9138 -3.6168 6.4708 O.2 1 UNK 0.0000 36 O5 3.3892 -5.0146 5.2764 O.3 1 UNK 0.0000 37 Hg1 5.1175 -5.8883 5.5043 Hg 1 UNK 0.0000 38 C27 6.9788 -6.8292 5.7497 C.ar 1 UNK 0.0000 39 C28 7.9506 -6.2435 6.5394 C.ar 1 UNK 0.0000 40 C29 9.1758 -6.8629 6.7010 C.ar 1 UNK 0.0000 41 C30 9.4291 -8.0681 6.0732 C.ar 1 UNK 0.0000 42 C31 8.4571 -8.6542 5.2842 C.ar 1 UNK 0.0000 43 C32 7.2303 -8.0370 5.1261 C.ar 1 UNK 0.0000 44 H -4.1538 -3.5447 7.0978 H 1 UNK 0.0000 45 H1 -3.9400 -1.6082 5.6787 H 1 UNK 0.0000 46 H2 -2.0298 -1.3242 4.2744 H 1 UNK 0.0000 47 H3 -2.4599 -5.2272 7.1367 H 1 UNK 0.0000 48 H4 -0.2804 -6.0724 6.3114 H 1 UNK 0.0000 49 H5 1.6302 -5.7884 4.9068 H 1 UNK 0.0000 50 H6 -3.4820 -2.7459 0.0344 H 1 UNK 0.0000 51 H7 -5.0649 -3.4065 -1.6647 H 1 UNK 0.0000 52 H8 -4.2777 -4.2118 -3.8003 H 1 UNK 0.0000 53 H9 -1.9076 -4.3586 -4.2361 H 1 UNK 0.0000 54 H10 -0.3248 -3.6851 -2.5419 H 1 UNK 0.0000 55 H11 1.9262 -3.7560 2.1857 H 1 UNK 0.0000 56 H12 2.8726 -4.6478 3.3528 H 1 UNK 0.0000 57 H13 3.8703 0.3603 2.2243 H 1 UNK 0.0000 58 H14 2.7333 -1.6689 1.6828 H 1 UNK 0.0000 59 H15 5.1079 1.7303 3.8788 H 1 UNK 0.0000 60 H16 5.9952 1.9777 6.0818 H 1 UNK 0.0000 61 H17 5.7327 0.2324 7.7232 H 1 UNK 0.0000 62 H18 4.5787 -1.7884 7.1878 H 1 UNK 0.0000 63 H19 7.7614 -5.3438 7.0083 H 1 UNK 0.0000 64 H20 9.9014 -6.4256 7.2903 H 1 UNK 0.0000 65 H21 10.3439 -8.5303 6.1936 H 1 UNK 0.0000 66 H22 8.6473 -9.5525 4.8132 H 1 UNK 0.0000 67 H23 6.5022 -8.4779 4.5425 H 1 UNK 0.0000 @BOND 1 1 6 ar 2 1 2 ar 3 2 3 ar 4 3 4 ar 5 4 10 ar 6 4 5 ar 7 5 6 ar 8 5 7 ar 9 7 8 ar 10 8 9 ar 11 9 10 ar 12 9 22 1 13 10 11 1 14 11 12 2 15 11 13 2 16 11 14 1 17 14 15 1 18 15 16 1 19 16 21 ar 20 16 17 ar 21 17 18 ar 22 18 19 ar 23 19 20 ar 24 20 21 ar 25 22 23 1 26 23 28 ar 27 23 24 ar 28 24 25 ar 29 24 33 1 30 25 32 ar 31 25 26 ar 32 26 27 ar 33 26 29 ar 34 27 28 ar 35 29 30 ar 36 30 31 ar 37 31 32 ar 38 33 34 2 39 33 35 2 40 33 36 1 41 36 37 1 42 37 38 1 43 38 43 ar 44 38 39 ar 45 39 40 ar 46 40 41 ar 47 41 42 ar 48 42 43 ar 49 1 44 1 50 2 45 1 51 3 46 1 52 6 47 1 53 7 48 1 54 8 49 1 55 17 50 1 56 18 51 1 57 19 52 1 58 20 53 1 59 21 54 1 60 22 55 1 61 22 56 1 62 27 57 1 63 28 58 1 64 29 59 1 65 30 60 1 66 31 61 1 67 32 62 1 68 39 63 1 69 40 64 1 70 41 65 1 71 42 66 1 72 43 67 1