@MOLECULE c6-galactose mustard 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 CL 3.3733 -3.5718 -0.6043 Cl 1 UNL11111111 -0.1756 2 CL 3.0868 3.5416 0.1107 Cl 1 UNL11111111 -0.1767 3 O -1.8653 -0.5033 1.3828 O.3 1 UNL11111111 -0.4969 4 O -1.2704 1.8909 -0.0155 O.3 1 UNL11111111 -0.5155 5 O -2.8550 1.2867 -2.1359 O.3 1 UNL11111111 -0.5150 6 O -4.5966 -0.7371 -0.9964 O.3 1 UNL11111111 -0.5539 7 O -4.0019 -0.9950 1.8929 O.3 1 UNL11111111 -0.5584 8 N 1.6019 -0.1535 0.4346 N.3 1 UNL11111111 -0.4422 9 C -0.8058 -0.4290 0.4375 C.3 1 UNL11111111 0.0773 10 C -1.1697 0.6328 -0.6234 C.3 1 UNL11111111 0.0815 11 C -2.4837 0.2069 -1.3118 C.3 1 UNL11111111 0.0626 12 C -3.5887 -0.0618 -0.2733 C.3 1 UNL11111111 -0.0029 13 C 0.4056 0.0074 1.2890 C.3 1 UNL11111111 -0.1364 14 C -3.0778 -1.0006 0.8472 C.3 1 UNL11111111 0.3198 15 C 2.2466 -1.4732 0.6248 C.3 1 UNL11111111 -0.1305 16 C 2.5584 0.9655 0.6049 C.3 1 UNL11111111 -0.1276 17 C 2.7817 -1.8983 -0.7450 C.3 1 UNL11111111 -0.1712 18 C 2.0403 2.1405 -0.2269 C.3 1 UNL11111111 -0.1773 19 H -0.6425 -1.4285 -0.0186 H 1 UNL11111111 0.1360 20 H -0.3510 0.7820 -1.3660 H 1 UNL11111111 0.1768 21 H -2.3270 -0.6895 -1.9573 H 1 UNL11111111 0.1426 22 H -4.0081 0.8818 0.1353 H 1 UNL11111111 0.1484 23 H 0.4392 -0.5843 2.2291 H 1 UNL11111111 0.1438 24 H 0.2725 1.0676 1.6061 H 1 UNL11111111 0.1691 25 H -2.9782 -2.0635 0.5435 H 1 UNL11111111 0.1468 26 H 1.4982 -2.2163 0.9871 H 1 UNL11111111 0.1571 27 H 3.0562 -1.4607 1.3863 H 1 UNL11111111 0.1374 28 H 3.5642 0.6563 0.2394 H 1 UNL11111111 0.1509 29 H 2.6933 1.2575 1.6706 H 1 UNL11111111 0.1388 30 H -1.9968 1.9008 0.6438 H 1 UNL11111111 0.3172 31 H -3.7324 1.0986 -2.5417 H 1 UNL11111111 0.3237 32 H -5.3344 -0.9857 -0.3949 H 1 UNL11111111 0.3365 33 H -3.7591 -0.3445 2.5898 H 1 UNL11111111 0.3457 34 H 1.9973 -1.8926 -1.5200 H 1 UNL11111111 0.1668 35 H 3.6297 -1.2866 -1.0869 H 1 UNL11111111 0.1553 36 H 2.0901 1.9492 -1.3098 H 1 UNL11111111 0.1614 37 H 1.0065 2.4394 0.0329 H 1 UNL11111111 0.1846 @BOND 1 1 17 1 2 2 18 1 3 3 9 1 4 3 14 1 5 4 10 1 6 4 30 1 7 5 11 1 8 5 31 1 9 6 12 1 10 6 32 1 11 7 14 1 12 7 33 1 13 8 13 1 14 8 15 1 15 8 16 1 16 9 10 1 17 9 13 1 18 9 19 1 19 10 11 1 20 10 20 1 21 11 12 1 22 11 21 1 23 12 14 1 24 12 22 1 25 13 23 1 26 13 24 1 27 14 25 1 28 15 17 1 29 15 26 1 30 15 27 1 31 16 18 1 32 16 28 1 33 16 29 1 34 17 34 1 35 17 35 1 36 18 36 1 37 18 37 1