@MOLECULE (1s,2s)-1,2-indanediol 21 22 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8407 0.8046 0.6752 O.3 1 UNL1111111111 -0.5593 2 O -1.3418 -1.9335 -0.6666 O.3 1 UNL1111111111 -0.5378 3 C -1.8831 0.4073 -0.2814 C.3 1 UNL1111111111 0.1157 4 C -1.1324 -0.8658 0.2334 C.3 1 UNL1111111111 0.0878 5 C -0.8382 1.5490 -0.3265 C.3 1 UNL1111111111 -0.3127 6 C 0.3208 -0.4946 0.1637 C.ar 1 UNL1111111111 -0.0658 7 C 0.4800 0.8704 -0.1332 C.ar 1 UNL1111111111 0.0150 8 C 1.4145 -1.3183 0.3498 C.ar 1 UNL1111111111 -0.1155 9 C 1.7441 1.4266 -0.2240 C.ar 1 UNL1111111111 -0.1823 10 C 2.6938 -0.7577 0.2524 C.ar 1 UNL1111111111 -0.1701 11 C 2.8542 0.5969 -0.0258 C.ar 1 UNL1111111111 -0.1282 12 H -2.3648 0.2268 -1.2602 H 1 UNL1111111111 0.1325 13 H -1.4526 -1.1479 1.2573 H 1 UNL1111111111 0.1403 14 H -1.0444 2.2803 0.4842 H 1 UNL1111111111 0.1841 15 H -0.8888 2.1151 -1.2712 H 1 UNL1111111111 0.1602 16 H 1.2840 -2.3783 0.5551 H 1 UNL1111111111 0.1589 17 H 1.8768 2.4807 -0.4478 H 1 UNL1111111111 0.1552 18 H -3.6725 0.3072 0.5742 H 1 UNL1111111111 0.3141 19 H -2.1406 -2.4401 -0.4259 H 1 UNL1111111111 0.3093 20 H 3.5674 -1.3904 0.3931 H 1 UNL1111111111 0.1508 21 H 3.8552 1.0191 -0.0948 H 1 UNL1111111111 0.1479 @BOND 1 1 3 1 2 1 18 1 3 2 4 1 4 2 19 1 5 3 4 1 6 3 5 1 7 3 12 1 8 4 6 1 9 4 13 1 10 5 7 1 11 5 14 1 12 5 15 1 13 6 7 ar 14 6 8 ar 15 7 9 ar 16 8 10 ar 17 8 16 1 18 9 11 ar 19 9 17 1 20 10 11 ar 21 10 20 1 22 11 21 1