@MOLECULE n-methyl-1-deoxynojirimycin 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1229 2.3496 0.7458 O.3 1 UNL1111111111111111 -0.5478 2 O 2.3318 1.4372 -0.5141 O.3 1 UNL1111111111111111 -0.5611 3 O 2.8176 -1.3438 -0.0689 O.3 1 UNL1111111111111111 -0.5610 4 O -2.6383 0.5787 -1.2354 O.3 1 UNL1111111111111111 -0.5463 5 N -0.8315 -1.2088 -0.0553 N.3 1 UNL1111111111111111 -0.4180 6 C -1.0522 0.1179 0.5803 C.3 1 UNL1111111111111111 -0.0793 7 C 0.0011 1.1266 0.0580 C.3 1 UNL1111111111111111 0.0775 8 C 1.4406 0.6173 0.2151 C.3 1 UNL1111111111111111 0.0273 9 C 1.5709 -0.7781 -0.4174 C.3 1 UNL1111111111111111 0.1284 10 C 0.5316 -1.7286 0.2059 C.3 1 UNL1111111111111111 -0.1582 11 C -2.4416 0.6596 0.1571 C.3 1 UNL1111111111111111 -0.0085 12 C -1.8261 -2.2024 0.4117 C.3 1 UNL1111111111111111 -0.2833 13 H -1.0005 0.0690 1.6955 H 1 UNL1111111111111111 0.1247 14 H -0.2149 1.4217 -1.0003 H 1 UNL1111111111111111 0.1867 15 H 1.7812 0.6206 1.2734 H 1 UNL1111111111111111 0.1373 16 H 1.4968 -0.7326 -1.5262 H 1 UNL1111111111111111 0.1498 17 H 0.6288 -2.7282 -0.2777 H 1 UNL1111111111111111 0.1650 18 H 0.7546 -1.8794 1.2835 H 1 UNL1111111111111111 0.1369 19 H -2.5308 1.7432 0.3766 H 1 UNL1111111111111111 0.1552 20 H -3.2670 0.1164 0.6487 H 1 UNL1111111111111111 0.1158 21 H -1.8506 -2.3435 1.5020 H 1 UNL1111111111111111 0.1248 22 H -1.6144 -3.1772 -0.0608 H 1 UNL1111111111111111 0.1525 23 H -2.8322 -1.9024 0.0715 H 1 UNL1111111111111111 0.1559 24 H -0.0002 2.2421 1.7097 H 1 UNL1111111111111111 0.3118 25 H 2.0802 2.3824 -0.4121 H 1 UNL1111111111111111 0.3377 26 H 3.5395 -0.7240 -0.3186 H 1 UNL1111111111111111 0.3387 27 H -2.1649 -0.2059 -1.5976 H 1 UNL1111111111111111 0.3375 @BOND 1 1 7 1 2 1 24 1 3 2 8 1 4 2 25 1 5 3 9 1 6 3 26 1 7 4 11 1 8 4 27 1 9 5 6 1 10 5 10 1 11 5 12 1 12 6 7 1 13 6 11 1 14 6 13 1 15 7 8 1 16 7 14 1 17 8 9 1 18 8 15 1 19 9 10 1 20 9 16 1 21 10 17 1 22 10 18 1 23 11 19 1 24 11 20 1 25 12 21 1 26 12 22 1 27 12 23 1