@MOLECULE wsqr dr 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.3642 0.0877 0.0250 S.O2 1 UNL1111111111 2.4031 2 O 3.5650 -1.5333 -0.2927 O.3 1 UNL1111111111 -0.8415 3 O 3.8592 0.7439 -1.1599 O.2 1 UNL1111111111 -0.9228 4 O 3.9235 0.3694 1.3174 O.2 1 UNL1111111111 -0.8705 5 C -1.1500 0.0458 0.0306 C.ar 1 UNL1111111111 0.0463 6 C -2.6169 -0.0137 0.0040 C.ar 1 UNL1111111111 -0.0479 7 C 1.6229 0.1415 0.0585 C.ar 1 UNL1111111111 -0.3987 8 C -0.4618 -0.1709 1.2258 C.ar 1 UNL1111111111 -0.1909 9 C -0.4559 0.3620 -1.1401 C.ar 1 UNL1111111111 -0.1926 10 C 0.9299 -0.1191 1.2407 C.ar 1 UNL1111111111 -0.0462 11 C 0.9349 0.4101 -1.1276 C.ar 1 UNL1111111111 -0.0527 12 C -3.2871 -1.2145 -0.2259 C.ar 1 UNL1111111111 -0.1509 13 C -3.3368 1.1655 0.2052 C.ar 1 UNL1111111111 -0.1543 14 C -4.6806 -1.2359 -0.2408 C.ar 1 UNL1111111111 -0.1342 15 C -4.7277 1.1371 0.1914 C.ar 1 UNL1111111111 -0.1343 16 C -5.4019 -0.0625 -0.0308 C.ar 1 UNL1111111111 -0.1457 17 H -1.0170 -0.3938 2.1359 H 1 UNL1111111111 0.1635 18 H -1.0042 0.5713 -2.0563 H 1 UNL1111111111 0.1626 19 H 1.4634 -0.2837 2.1855 H 1 UNL1111111111 0.1731 20 H 1.4709 0.6651 -2.0530 H 1 UNL1111111111 0.1752 21 H -2.7221 -2.1292 -0.3902 H 1 UNL1111111111 0.1571 22 H -2.8083 2.1017 0.3773 H 1 UNL1111111111 0.1568 23 H -5.2093 -2.1710 -0.4142 H 1 UNL1111111111 0.1530 24 H -5.2881 2.0561 0.3557 H 1 UNL1111111111 0.1532 25 H -6.4903 -0.0811 -0.0407 H 1 UNL1111111111 0.1518 26 H 4.1527 -1.7631 -1.0271 H 1 UNL1111111111 0.3875 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 7 1 5 2 26 1 6 5 6 1 7 5 8 ar 8 5 9 ar 9 6 12 ar 10 6 13 ar 11 7 10 ar 12 7 11 ar 13 8 10 ar 14 8 17 1 15 9 11 ar 16 9 18 1 17 10 19 1 18 11 20 1 19 12 14 ar 20 12 21 1 21 13 15 ar 22 13 22 1 23 14 16 ar 24 14 23 1 25 15 16 ar 26 15 24 1 27 16 25 1