@MOLECULE 3-deoxy-alpha-d-erythro-hex-2-ulofuranosonic acid 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9015 1.9842 0.2786 O.3 1 UNL1111111111 -0.4028 2 C 2.0720 1.2372 -0.5810 C.3 1 UNL1111111111 -0.3354 3 C 1.3879 0.1121 0.1999 C.3 1 UNL1111111111 0.3046 4 O 0.1052 0.6252 0.5702 O.3 1 UNL1111111111 -0.3299 5 C 1.1473 -1.1732 -0.6239 C.3 1 UNL1111111111 -0.3651 6 O 1.9658 -2.1437 -0.0124 O.3 1 UNL1111111111 -0.3674 7 C -0.3447 -1.5028 -0.4439 C.3 1 UNL1111111111 -0.3215 8 O -1.3304 -0.8436 1.5943 O.3 1 UNL1111111111 -0.4310 9 C -2.0764 0.4581 -0.2347 C.2 1 UNL1111111111 0.2302 10 O -2.1096 0.3126 -1.5799 O.3 1 UNL1111111111 -0.4305 11 C -0.9037 -0.3391 0.3715 C.3 1 UNL1111111111 0.3158 12 O -2.8786 1.1237 0.3555 O.2 1 UNL1111111111 -0.3008 13 H 2.3678 2.4369 0.9653 H 1 UNL1111111111 0.3116 14 H 1.3366 1.9063 -1.0666 H 1 UNL1111111111 0.1542 15 H 2.7837 0.8507 -1.3351 H 1 UNL1111111111 0.2160 16 H 1.9263 -0.1212 1.1505 H 1 UNL1111111111 0.1249 17 H 1.4403 -1.0812 -1.6883 H 1 UNL1111111111 0.2059 18 H 1.9102 -3.0002 -0.4788 H 1 UNL1111111111 0.3223 19 H -0.8673 -1.6336 -1.4065 H 1 UNL1111111111 0.1955 20 H -0.4728 -2.4554 0.1152 H 1 UNL1111111111 0.2364 21 H -1.4944 -0.1241 2.2509 H 1 UNL1111111111 0.3393 22 H -2.8436 0.8145 -2.0167 H 1 UNL1111111111 0.3278 @BOND 1 1 2 1 2 1 13 1 3 2 3 1 4 2 14 1 5 2 15 1 6 3 4 1 7 3 5 1 8 3 16 1 9 4 11 1 10 5 6 1 11 5 7 1 12 5 17 1 13 6 18 1 14 7 11 1 15 7 19 1 16 7 20 1 17 8 11 1 18 8 21 1 19 9 12 2 20 9 10 1 21 9 11 1 22 10 22 1