@MOLECULE (3s,5s,7s)-1-adamantanecarboxylic acid 29 31 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.7186 1.1241 0.0010 O.3 1 UNL1111111111 -0.4969 2 O 2.8873 -1.0910 -0.0008 O.2 1 UNL1111111111 -0.2744 3 C 0.6648 -0.0581 0.0012 C.3 1 UNL1111111111 1.3197 4 C -1.4301 -1.4360 0.0271 C.3 1 UNL1111111111 0.6308 5 C -1.3499 0.7190 -1.2727 C.3 1 UNL1111111111 0.5750 6 C -1.3508 0.7659 1.2441 C.3 1 UNL1111111111 0.5634 7 C 0.1075 -1.4940 0.0283 C.3 1 UNL1111111111 -1.0985 8 C 0.1892 0.6649 -1.2737 C.3 1 UNL1111111111 -1.1432 9 C 0.1883 0.7120 1.2479 C.3 1 UNL1111111111 -1.1518 10 C -1.9140 -0.7141 -1.2448 C.3 1 UNL1111111111 -1.1310 11 C -1.9150 -0.6669 1.2702 C.3 1 UNL1111111111 -1.1465 12 C -1.8346 1.4861 -0.0283 C.3 1 UNL1111111111 -1.0740 13 C 2.1737 -0.1230 0.0007 C.2 1 UNL1111111111 -0.0283 14 H -1.8388 -2.4707 0.0462 H 1 UNL1111111111 0.1064 15 H -1.7009 1.2397 -2.1910 H 1 UNL1111111111 0.0830 16 H -1.7021 1.3210 2.1420 H 1 UNL1111111111 0.1123 17 H 0.4756 -2.0348 0.9195 H 1 UNL1111111111 0.3029 18 H 0.4759 -2.0681 -0.8418 H 1 UNL1111111111 0.2825 19 H 0.5533 0.1427 -2.1761 H 1 UNL1111111111 0.3070 20 H 0.6098 1.6876 -1.3138 H 1 UNL1111111111 0.3186 21 H 0.6089 1.7354 1.2502 H 1 UNL1111111111 0.3263 22 H 0.5523 0.2241 2.1693 H 1 UNL1111111111 0.3329 23 H -1.5943 -1.2687 -2.1441 H 1 UNL1111111111 0.3121 24 H -3.0169 -0.6901 -1.2733 H 1 UNL1111111111 0.3221 25 H -3.0179 -0.6418 1.2971 H 1 UNL1111111111 0.3305 26 H -1.5960 -1.1872 2.1902 H 1 UNL1111111111 0.3376 27 H -1.4564 2.5233 -0.0476 H 1 UNL1111111111 0.2879 28 H -2.9356 1.5595 -0.0302 H 1 UNL1111111111 0.3143 29 H 3.7068 1.1212 -0.0003 H 1 UNL1111111111 0.3793 @BOND 1 1 13 1 2 1 29 1 3 2 13 2 4 3 7 1 5 3 8 1 6 3 9 1 7 3 13 1 8 4 7 1 9 4 10 1 10 4 11 1 11 4 14 1 12 5 8 1 13 5 10 1 14 5 12 1 15 5 15 1 16 6 9 1 17 6 11 1 18 6 12 1 19 6 16 1 20 7 17 1 21 7 18 1 22 8 19 1 23 8 20 1 24 9 21 1 25 9 22 1 26 10 23 1 27 10 24 1 28 11 25 1 29 11 26 1 30 12 27 1 31 12 28 1