@MOLECULE a-homomannojirimycin 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5130 0.6906 1.7963 O.3 1 UNL1111111111 -0.4275 2 O 1.3877 1.9316 -1.1150 O.3 1 UNL1111111111 -0.4061 3 O -1.2678 2.5119 -0.2003 O.3 1 UNL1111111111 -0.4282 4 O -2.5612 -1.9957 -1.0330 O.3 1 UNL1111111111 -0.3443 5 O 3.3410 -1.4396 0.0913 O.3 1 UNL1111111111 -0.3463 6 N 0.5420 -1.1136 0.7734 N.3 1 UNL1111111111 -0.9216 7 CA -0.9078 -1.1693 0.5108 C.3 1 UNL1111111111 0.5767 8 CA 1.2645 -0.2029 -0.1392 C.3 1 UNL1111111111 0.3889 9 C -1.5739 0.2271 0.4606 C.3 1 UNL1111111111 -0.4255 10 C 0.6826 1.2325 -0.1136 C.3 1 UNL1111111111 -0.5531 11 C -0.8159 1.1939 -0.4677 C.3 1 UNL1111111111 0.0748 12 C -1.1715 -1.9378 -0.8020 C.3 1 UNL1111111111 -0.7851 13 C 2.7513 -0.1707 0.2705 C.3 1 UNL1111111111 -0.6376 14 HA -1.3740 -1.7354 1.3656 H 1 UNL1111111111 0.1406 15 HA 1.1971 -0.6138 -1.1812 H 1 UNL1111111111 0.1469 16 H -2.6486 0.1501 0.1816 H 1 UNL1111111111 0.2030 17 H 0.8481 1.7404 0.8618 H 1 UNL1111111111 0.3278 18 H -0.9743 0.9568 -1.5409 H 1 UNL1111111111 0.1458 19 H 0.7003 -0.8452 1.7509 H 1 UNL1111111111 0.4392 20 H1 -0.7385 -2.9529 -0.7669 H 1 UNL1111111111 0.2764 21 H2 -0.7903 -1.4128 -1.6964 H 1 UNL1111111111 0.3570 22 H1 2.8954 0.1361 1.3208 H 1 UNL1111111111 0.2455 23 H2 3.3351 0.4934 -0.3984 H 1 UNL1111111111 0.3337 24 H -1.5577 1.6739 1.8117 H 1 UNL1111111111 0.3479 25 H 1.0050 2.8314 -1.2212 H 1 UNL1111111111 0.3244 26 H -2.1490 2.6670 -0.5958 H 1 UNL1111111111 0.2981 27 H -3.0016 -2.5830 -0.3872 H 1 UNL1111111111 0.3182 28 H 2.7245 -2.1381 0.4031 H 1 UNL1111111111 0.3304 @BOND 1 1 9 1 2 1 24 1 3 2 10 1 4 2 25 1 5 3 11 1 6 3 26 1 7 4 12 1 8 4 27 1 9 5 13 1 10 5 28 1 11 6 7 1 12 6 8 1 13 6 19 1 14 7 9 1 15 7 12 1 16 7 14 1 17 8 10 1 18 8 13 1 19 8 15 1 20 9 11 1 21 9 16 1 22 10 11 1 23 10 17 1 24 11 18 1 25 12 20 1 26 12 21 1 27 13 22 1 28 13 23 1