@MOLECULE stauffer r 1303 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.1487 1.8501 -0.0060 Cl 1 UNL11 -0.0836 2 S 0.9642 -1.2058 -1.1885 S.3 1 UNL11 0.2279 3 S -1.0437 -2.8271 0.3082 S.3 1 UNL11 0.0680 4 S 2.8318 1.5935 -2.1313 S.2 1 UNL11 -0.1508 5 P 2.2028 0.4514 -0.7532 P.3 1 UNL11 0.1358 6 O 1.2230 1.0273 0.3909 O.3 1 UNL11 -0.3857 7 O 3.2267 -0.4333 0.1170 O.3 1 UNL11 -0.3836 8 C 1.3383 2.2569 1.1136 C.3 1 UNL11 0.0257 9 C 4.4880 -0.0201 0.6689 C.3 1 UNL11 0.0203 10 C 0.5970 -2.0492 0.4232 C.3 1 UNL11 -0.3795 11 C -2.1591 -1.4491 0.2293 C.ar 1 UNL11 -0.1077 12 C 1.9567 1.9864 2.4819 C.3 1 UNL11 -0.4779 13 C 4.5481 -0.7935 1.9863 C.3 1 UNL11 -0.4679 14 C -2.0904 -0.3921 1.1364 C.ar 1 UNL11 -0.1028 15 C -3.1455 -1.4820 -0.7577 C.ar 1 UNL11 -0.1024 16 C -3.0216 0.6434 1.0663 C.ar 1 UNL11 -0.1761 17 C -4.0858 -0.4556 -0.8325 C.ar 1 UNL11 -0.1822 18 C -4.0011 0.5846 0.0836 C.ar 1 UNL11 0.0369 19 H 0.2593 2.5256 1.1974 H 1 UNL11 0.1337 20 H 1.8590 3.0742 0.5813 H 1 UNL11 0.1275 21 H 5.2615 -0.3675 -0.0482 H 1 UNL11 0.1277 22 H 4.6062 1.0659 0.8313 H 1 UNL11 0.1198 23 H 1.3400 -2.8536 0.5950 H 1 UNL11 0.1897 24 H 0.6625 -1.3773 1.2993 H 1 UNL11 0.1891 25 H 3.0455 1.8722 2.4279 H 1 UNL11 0.1508 26 H 1.5563 1.0620 2.9180 H 1 UNL11 0.1555 27 H 1.7434 2.8055 3.1774 H 1 UNL11 0.1494 28 H 4.3283 -1.8573 1.8230 H 1 UNL11 0.1582 29 H 3.8067 -0.4211 2.7031 H 1 UNL11 0.1523 30 H 5.5407 -0.7180 2.4414 H 1 UNL11 0.1504 31 H -1.3137 -0.3518 1.9027 H 1 UNL11 0.1650 32 H -3.1918 -2.2975 -1.4834 H 1 UNL11 0.1687 33 H -2.9731 1.4758 1.7677 H 1 UNL11 0.1738 34 H -4.8601 -0.4732 -1.5992 H 1 UNL11 0.1737 @BOND 1 1 18 1 2 2 5 1 3 2 10 1 4 3 10 1 5 3 11 1 6 4 5 2 7 5 6 1 8 5 7 1 9 6 8 1 10 7 9 1 11 8 12 1 12 8 19 1 13 8 20 1 14 9 13 1 15 9 21 1 16 9 22 1 17 10 23 1 18 10 24 1 19 11 14 ar 20 11 15 ar 21 12 25 1 22 12 26 1 23 12 27 1 24 13 28 1 25 13 29 1 26 13 30 1 27 14 16 ar 28 14 31 1 29 15 17 ar 30 15 32 1 31 16 18 ar 32 16 33 1 33 17 18 ar 34 17 34 1