@MOLECULE merdafos 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.8313 -1.3969 -1.1731 S.3 1 UNL11 0.1285 2 S 3.5029 1.6296 -1.2832 S.2 1 UNL11 -0.0724 3 S -4.8478 0.5321 0.4910 S.3 1 UNL11 0.0260 4 P 2.2402 0.5222 -0.4157 P.3 1 UNL11 0.1651 5 O 0.9049 1.4418 -0.3894 O.3 1 UNL11 -0.3453 6 O 2.3790 0.0422 1.1097 O.3 1 UNL11 -0.3778 7 C 0.6376 -2.2654 -0.0314 C.3 1 UNL11 -0.2862 8 C 0.5726 -3.7213 -0.4833 C.3 1 UNL11 -0.2433 9 C -0.3895 1.0866 -0.1642 C.ar 1 UNL11 0.2901 10 C -0.4446 -4.4752 0.3782 C.3 1 UNL11 -0.4369 11 C 2.8577 0.8561 2.2024 C.3 1 UNL11 0.0234 12 C -1.2717 1.4692 -1.1899 C.ar 1 UNL11 -0.2409 13 C -0.8611 0.5171 1.0223 C.ar 1 UNL11 -0.2839 14 C -3.1146 0.7266 0.1792 C.ar 1 UNL11 -0.1516 15 C -2.6355 1.2992 -1.0009 C.ar 1 UNL11 -0.0983 16 C -2.2317 0.3357 1.1845 C.ar 1 UNL11 -0.0878 17 C 1.9249 0.5042 3.3584 C.3 1 UNL11 -0.4689 18 C -5.5026 -0.0743 -1.0986 C.3 1 UNL11 -0.4955 19 H -0.3612 -1.7898 -0.0895 H 1 UNL11 0.1691 20 H 0.9637 -2.1993 1.0238 H 1 UNL11 0.1687 21 H 0.2809 -3.8016 -1.5505 H 1 UNL11 0.1470 22 H 1.5639 -4.2118 -0.3990 H 1 UNL11 0.1464 23 H -0.1568 -4.4764 1.4356 H 1 UNL11 0.1448 24 H -1.4440 -4.0289 0.3077 H 1 UNL11 0.1485 25 H -0.5313 -5.5210 0.0623 H 1 UNL11 0.1424 26 H 3.8925 0.4944 2.3826 H 1 UNL11 0.1251 27 H 2.8807 1.9470 2.0216 H 1 UNL11 0.1335 28 H -0.8767 1.9055 -2.1052 H 1 UNL11 0.1781 29 H -0.1774 0.2285 1.8179 H 1 UNL11 0.1771 30 H -3.3216 1.6205 -1.7854 H 1 UNL11 0.1536 31 H -2.5984 -0.1130 2.1102 H 1 UNL11 0.1598 32 H 1.0028 1.0981 3.3313 H 1 UNL11 0.1573 33 H 1.6406 -0.5567 3.3257 H 1 UNL11 0.1582 34 H 2.4111 0.6860 4.3229 H 1 UNL11 0.1513 35 H -6.5080 -0.4742 -0.9187 H 1 UNL11 0.1696 36 H -4.8882 -0.8773 -1.5171 H 1 UNL11 0.1641 37 H -5.5828 0.7269 -1.8394 H 1 UNL11 0.1610 @BOND 1 1 4 1 2 1 7 1 3 2 4 2 4 3 14 1 5 3 18 1 6 4 5 1 7 4 6 1 8 5 9 1 9 6 11 1 10 7 8 1 11 7 19 1 12 7 20 1 13 8 10 1 14 8 21 1 15 8 22 1 16 9 12 ar 17 9 13 ar 18 10 23 1 19 10 24 1 20 10 25 1 21 11 17 1 22 11 26 1 23 11 27 1 24 12 15 ar 25 12 28 1 26 13 16 ar 27 13 29 1 28 14 15 ar 29 14 16 ar 30 15 30 1 31 16 31 1 32 17 32 1 33 17 33 1 34 17 34 1 35 18 35 1 36 18 36 1 37 18 37 1