@MOLECULE 72941551 41 41 1 SMALL USER_CHARGES @ATOM 1 Hg1 5.2063 -1.0646 -0.1447 Hg 1 noname 0.1899 2 S1 2.7560 -1.3614 0.4109 S.3 1 noname -0.1296 3 O1 2.2564 -4.3878 -2.4738 O.3 1 noname -0.2069 4 O2 2.1540 -3.7984 -0.3025 O.2 1 noname -0.2573 5 C1 2.4794 -6.5679 -3.4754 C.3 1 noname -0.0292 6 C2 2.3230 -8.0648 -3.2002 C.3 1 noname -0.0539 7 C3 4.9794 -2.3924 -2.9624 C.3 1 noname -0.0603 8 C4 5.3927 -3.4247 -4.0134 C.3 1 noname -0.0568 9 C5 2.1112 -5.7770 -2.2184 C.3 1 noname 0.0567 10 C6 5.8168 -2.5894 -1.6971 C.3 1 noname -0.0714 11 C7 2.6912 -8.8556 -4.4571 C.3 1 noname -0.0653 12 C8 4.5553 -3.2277 -5.2786 C.3 1 noname -0.0654 13 C9 1.5165 -2.2252 -1.8357 C.2 1 noname 0.0056 14 C10 1.8092 -1.1386 -1.0197 C.2 1 noname 0.0162 15 C11 1.9847 -3.4908 -1.5021 C.2 1 noname 0.0910 16 C12 0.7558 -2.0463 -2.9852 C.2 1 noname -0.0035 17 C13 1.3410 0.1270 -1.3533 C.2 1 noname -0.0323 18 C14 0.2877 -0.7807 -3.3187 C.2 1 noname -0.0492 19 C15 0.5803 0.3059 -2.5028 C.2 1 noname -0.0329 20 H1 1.8199 -6.2779 -4.2933 H 1 noname 0.0290 21 H2 3.5128 -6.3548 -3.7489 H 1 noname 0.0290 22 H3 3.9237 -2.5203 -2.7230 H 1 noname 0.0259 23 H4 5.1441 -1.3888 -3.3545 H 1 noname 0.0259 24 H5 1.2896 -8.2778 -2.9266 H 1 noname 0.0264 25 H6 2.9826 -8.3547 -2.3823 H 1 noname 0.0264 26 H7 5.2280 -4.4283 -3.6213 H 1 noname 0.0263 27 H8 6.4484 -3.2968 -4.2528 H 1 noname 0.0263 28 H9 1.0778 -5.9901 -1.9448 H 1 noname 0.0573 29 H10 2.7708 -6.0670 -1.4005 H 1 noname 0.0573 30 H11 5.6521 -3.5930 -1.3051 H 1 noname 0.0178 31 H12 6.8725 -2.4616 -1.9365 H 1 noname 0.0178 32 H13 2.5798 -9.9220 -4.2611 H 1 noname 0.0230 33 H14 2.0317 -8.5656 -5.2750 H 1 noname 0.0230 34 H15 3.7246 -8.6425 -4.7307 H 1 noname 0.0230 35 H16 4.8497 -3.9631 -6.0273 H 1 noname 0.0230 36 H17 3.4996 -3.3555 -5.0392 H 1 noname 0.0230 37 H18 4.7200 -2.2240 -5.6707 H 1 noname 0.0230 38 H19 0.5410 -2.8436 -3.5839 H 1 noname 0.0631 39 H20 1.5558 0.9243 -0.7545 H 1 noname 0.0634 40 H21 -0.2706 -0.6493 -4.1622 H 1 noname 0.0622 41 H22 0.2368 1.2346 -2.7475 H 1 noname 0.0623 @BOND 1 1 2 1 2 1 10 1 3 2 14 1 4 3 9 1 5 3 15 1 6 4 15 2 7 5 6 1 8 5 9 1 9 5 20 1 10 5 21 1 11 6 11 1 12 6 24 1 13 6 25 1 14 7 8 1 15 7 10 1 16 7 22 1 17 7 23 1 18 8 12 1 19 8 26 1 20 8 27 1 21 9 28 1 22 9 29 1 23 10 30 1 24 10 31 1 25 11 32 1 26 11 33 1 27 11 34 1 28 12 35 1 29 12 36 1 30 12 37 1 31 13 14 1 32 13 15 1 33 13 16 2 34 14 17 2 35 16 18 1 36 16 38 1 37 17 19 1 38 17 39 1 39 18 19 2 40 18 40 1 41 19 41 1 @SUBSTRUCTURE 1 noname 1