@MOLECULE methallibure 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.0967 2.1362 0.7736 S.2 1 UNL1111111111 -0.4954 2 S 3.5869 -0.3278 -1.0532 S.2 1 UNL1111111111 -0.4874 3 N -1.1839 -0.0926 -0.4807 N.am 1 UNL1111111111 -0.4862 4 N 0.3756 1.5829 0.1092 N.am 1 UNL1111111111 -0.4344 5 N 1.3056 0.9321 -0.7363 N.am 1 UNL1111111111 -0.4317 6 N 2.0505 -0.2547 1.1720 N.am 1 UNL1111111111 -0.4499 7 C -2.4957 -0.7766 -0.4383 C.3 1 UNL1111111111 0.1084 8 C -3.1729 -0.6655 -1.8094 C.3 1 UNL1111111111 -0.4731 9 C -2.2341 -2.2232 -0.0931 C.2 1 UNL1111111111 -0.1885 10 C -0.9641 1.1278 0.0459 C.2 1 UNL1111111111 0.4520 11 C -2.6083 -2.7483 1.0715 C.2 1 UNL1111111111 -0.2718 12 C 2.2892 0.1395 -0.0953 C.2 1 UNL1111111111 0.4424 13 C 2.9172 -1.2193 1.8504 C.3 1 UNL1111111111 -0.2234 14 H -3.1529 -0.2954 0.3415 H 1 UNL1111111111 0.1827 15 H -0.4325 -0.5920 -0.9551 H 1 UNL1111111111 0.3290 16 H -4.1214 -1.2167 -1.8186 H 1 UNL1111111111 0.1616 17 H -2.5490 -1.0634 -2.6172 H 1 UNL1111111111 0.1556 18 H -3.4019 0.3812 -2.0543 H 1 UNL1111111111 0.1702 19 H -1.7292 -2.8037 -0.8626 H 1 UNL1111111111 0.1535 20 H 0.5106 2.6045 0.1756 H 1 UNL1111111111 0.3335 21 H 1.6314 1.5132 -1.5254 H 1 UNL1111111111 0.3322 22 H -2.4443 -3.7827 1.3380 H 1 UNL1111111111 0.1483 23 H -3.1099 -2.1930 1.8526 H 1 UNL1111111111 0.1533 24 H 1.2466 0.0928 1.6870 H 1 UNL1111111111 0.3289 25 H 2.9640 -2.1796 1.2993 H 1 UNL1111111111 0.1679 26 H 2.5330 -1.4177 2.8650 H 1 UNL1111111111 0.1504 27 H 3.9542 -0.8357 1.9380 H 1 UNL1111111111 0.1718 @BOND 1 1 10 2 2 2 12 2 3 3 7 1 4 3 10 1 5 3 15 1 6 4 5 1 7 4 10 1 8 4 20 1 9 5 12 1 10 5 21 1 11 6 12 1 12 6 13 1 13 6 24 1 14 7 8 1 15 7 9 1 16 7 14 1 17 8 16 1 18 8 17 1 19 8 18 1 20 9 11 2 21 9 19 1 22 11 22 1 23 11 23 1 24 13 25 1 25 13 26 1 26 13 27 1