@MOLECULE (1s,2r,3s,4r,5s)-4-amino-5-(methylsulfanyl)-1,2,3-cyclopentanetriol 24 24 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.1722 -0.7029 -0.1649 S.3 1 UNL1111111111 -0.0163 2 O 2.2094 0.0022 1.7617 O.3 1 UNL1111111111 -0.5343 3 O -0.2340 2.2134 0.2268 O.3 1 UNL1111111111 -0.5756 4 O 1.8783 0.4354 -1.7917 O.3 1 UNL1111111111 -0.5546 5 N 0.5400 -2.1827 -0.5831 N.3 1 UNL1111111111 -0.6466 6 C 0.5042 -1.2266 0.5267 C.3 1 UNL1111111111 0.0192 7 C -0.5595 -0.0962 0.4454 C.3 1 UNL1111111111 -0.2802 8 C 1.8505 -0.4386 0.4816 C.3 1 UNL1111111111 0.0846 9 C 0.0521 1.0010 -0.4416 C.3 1 UNL1111111111 0.1234 10 C 1.5872 0.7669 -0.4510 C.3 1 UNL1111111111 0.0236 11 C -3.2687 0.6838 0.2680 C.3 1 UNL1111111111 -0.4889 12 H 0.4117 -1.7949 1.4846 H 1 UNL1111111111 0.1661 13 H -0.7184 0.3233 1.4702 H 1 UNL1111111111 0.1801 14 H 2.7046 -1.0768 0.1743 H 1 UNL1111111111 0.1712 15 H -0.3501 1.0392 -1.4772 H 1 UNL1111111111 0.1558 16 H 2.1627 1.6662 -0.1575 H 1 UNL1111111111 0.1465 17 H 0.6531 -1.7183 -1.4739 H 1 UNL1111111111 0.2685 18 H -0.2571 -2.7962 -0.6103 H 1 UNL1111111111 0.2666 19 H 1.5619 0.6564 2.1041 H 1 UNL1111111111 0.3208 20 H -0.0117 2.9851 -0.3300 H 1 UNL1111111111 0.3283 21 H 2.8166 0.1707 -1.8910 H 1 UNL1111111111 0.3267 22 H -2.7728 1.6550 0.1373 H 1 UNL1111111111 0.1779 23 H -3.6141 0.6152 1.3049 H 1 UNL1111111111 0.1652 24 H -4.1449 0.6577 -0.3912 H 1 UNL1111111111 0.1720 @BOND 1 1 7 1 2 1 11 1 3 2 8 1 4 2 19 1 5 3 9 1 6 3 20 1 7 4 10 1 8 4 21 1 9 5 6 1 10 5 17 1 11 5 18 1 12 6 7 1 13 6 8 1 14 6 12 1 15 7 9 1 16 7 13 1 17 8 10 1 18 8 14 1 19 9 10 1 20 9 15 1 21 10 16 1 22 11 22 1 23 11 23 1 24 11 24 1