@MOLECULE phenolphthalein 38 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0019 -0.7033 -1.6667 O.3 1 UNL111111111 -0.4048 2 O 0.1109 -2.6293 -2.7934 O.2 1 UNL111111111 -0.4163 3 O -4.9948 2.2596 0.2253 O.3 1 UNL111111111 -0.4734 4 O 4.2906 3.3362 0.3187 O.3 1 UNL111111111 -0.4741 5 C 0.0054 -0.2421 -0.2825 C.3 1 UNL111111111 0.2570 6 C 0.2679 -1.4982 0.5246 C.ar 1 UNL111111111 -0.0188 7 C -1.3455 0.3862 -0.0856 C.ar 1 UNL111111111 -0.1371 8 C 1.1347 0.7371 -0.1266 C.ar 1 UNL111111111 -0.1346 9 C 0.3269 -2.5887 -0.3585 C.ar 1 UNL111111111 -0.1819 10 C 0.1396 -2.0794 -1.7322 C.2 1 UNL111111111 0.5897 11 C 0.4678 -1.6730 1.8791 C.ar 1 UNL111111111 -0.1666 12 C -1.7407 1.3611 -1.0138 C.ar 1 UNL111111111 -0.0338 13 C 1.1268 1.6194 0.9549 C.ar 1 UNL111111111 -0.0643 14 C -2.1970 0.0194 0.9533 C.ar 1 UNL111111111 -0.0674 15 C 2.1906 0.7502 -1.0435 C.ar 1 UNL111111111 -0.0524 16 C 0.5561 -3.8735 0.0921 C.ar 1 UNL111111111 -0.0561 17 C 0.7042 -2.9743 2.3436 C.ar 1 UNL111111111 -0.0982 18 C 0.7416 -4.0576 1.4683 C.ar 1 UNL111111111 -0.1740 19 C -2.9744 1.9826 -0.8980 C.ar 1 UNL111111111 -0.2538 20 C 2.1765 2.5135 1.1414 C.ar 1 UNL111111111 -0.3133 21 C -3.4394 0.6337 1.0944 C.ar 1 UNL111111111 -0.3181 22 C 3.2472 1.6355 -0.8804 C.ar 1 UNL111111111 -0.2485 23 C -3.8063 1.6072 0.1644 C.ar 1 UNL111111111 0.3088 24 C 3.2232 2.5037 0.2169 C.ar 1 UNL111111111 0.3022 25 H 0.4553 -0.8313 2.5676 H 1 UNL111111111 0.1638 26 H -1.0678 1.6230 -1.8357 H 1 UNL111111111 0.1727 27 H 0.2902 1.6165 1.6551 H 1 UNL111111111 0.1559 28 H -1.9063 -0.7550 1.6641 H 1 UNL111111111 0.1550 29 H 2.1830 0.0663 -1.8969 H 1 UNL111111111 0.1737 30 H 0.5948 -4.7142 -0.6005 H 1 UNL111111111 0.1690 31 H 0.8638 -3.1369 3.4095 H 1 UNL111111111 0.1513 32 H 0.9235 -5.0593 1.8550 H 1 UNL111111111 0.1562 33 H -3.3043 2.7403 -1.6047 H 1 UNL111111111 0.1792 34 H 2.1760 3.1997 1.9797 H 1 UNL111111111 0.1597 35 H -4.1033 0.3539 1.9035 H 1 UNL111111111 0.1596 36 H 4.0799 1.6664 -1.5788 H 1 UNL111111111 0.1786 37 H -5.5601 1.9450 0.9707 H 1 UNL111111111 0.3277 38 H 4.2280 3.9350 1.1007 H 1 UNL111111111 0.3276 @BOND 1 1 5 1 2 1 10 1 3 2 10 2 4 3 23 1 5 3 37 1 6 4 24 1 7 4 38 1 8 5 6 1 9 5 7 1 10 5 8 1 11 6 9 ar 12 6 11 ar 13 7 12 ar 14 7 14 ar 15 8 13 ar 16 8 15 ar 17 9 10 1 18 9 16 ar 19 11 17 ar 20 11 25 1 21 12 19 ar 22 12 26 1 23 13 20 ar 24 13 27 1 25 14 21 ar 26 14 28 1 27 15 22 ar 28 15 29 1 29 16 18 ar 30 16 30 1 31 17 18 ar 32 17 31 1 33 18 32 1 34 19 23 ar 35 19 33 1 36 20 24 ar 37 20 34 1 38 21 23 ar 39 21 35 1 40 22 24 ar 41 22 36 1