@MOLECULE 6-(aminomethyl)-3',6'-dihydroxy-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one 42 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0070 -0.3050 2.1656 O.3 1 UNL111111111 -0.3851 2 O 2.1293 1.2106 -0.9129 O.3 1 UNL111111111 -0.2714 3 O -1.4003 -1.2530 3.6212 O.2 1 UNL111111111 -0.4178 4 O 0.1237 5.4324 -0.2626 O.3 1 UNL111111111 -0.4626 5 O 4.8048 -2.5669 -1.1243 O.3 1 UNL111111111 -0.4620 6 N -3.7770 -0.2584 -3.3052 N.3 1 UNL111111111 -0.6162 7 C 0.1154 -0.0933 0.7285 C.3 1 UNL111111111 0.2938 8 C -1.1392 -0.7348 0.1618 C.ar 1 UNL111111111 -0.0169 9 C 0.1417 1.3775 0.4893 C.ar 1 UNL111111111 -0.2497 10 C 1.3577 -0.7780 0.2713 C.ar 1 UNL111111111 -0.2447 11 C -1.8879 -1.2612 1.2270 C.ar 1 UNL111111111 -0.1992 12 C 1.1321 1.9367 -0.3179 C.ar 1 UNL111111111 0.3110 13 C 2.2840 -0.0925 -0.5191 C.ar 1 UNL111111111 0.3001 14 C -1.5764 -0.8366 -1.1399 C.ar 1 UNL111111111 -0.1757 15 C -1.1546 -0.9890 2.4808 C.2 1 UNL111111111 0.5814 16 C -0.8178 2.2231 1.0604 C.ar 1 UNL111111111 0.0053 17 C 1.6263 -2.1035 0.6231 C.ar 1 UNL111111111 0.0189 18 C -2.8057 -1.4773 -1.3664 C.ar 1 UNL111111111 0.0009 19 C -3.0908 -1.9022 1.0109 C.ar 1 UNL111111111 -0.0492 20 C 1.1798 3.3007 -0.6156 C.ar 1 UNL111111111 -0.3994 21 C 3.4474 -0.6890 -1.0014 C.ar 1 UNL111111111 -0.3379 22 C -3.5472 -2.0041 -0.3099 C.ar 1 UNL111111111 -0.1973 23 C -0.8078 3.5832 0.7985 C.ar 1 UNL111111111 -0.2948 24 C 2.7773 -2.7374 0.1733 C.ar 1 UNL111111111 -0.3584 25 C 0.1909 4.0995 -0.0441 C.ar 1 UNL111111111 0.3574 26 C 3.6667 -2.0187 -0.6379 C.ar 1 UNL111111111 0.3552 27 C -3.3282 -1.5622 -2.7794 C.3 1 UNL111111111 -0.1284 28 H -0.9914 -0.4384 -1.9667 H 1 UNL111111111 0.1706 29 H -1.5780 1.7979 1.7212 H 1 UNL111111111 0.1655 30 H 0.9207 -2.6409 1.2627 H 1 UNL111111111 0.1641 31 H -3.6678 -2.3135 1.8395 H 1 UNL111111111 0.1694 32 H 1.9588 3.7009 -1.2526 H 1 UNL111111111 0.1845 33 H 4.1555 -0.1471 -1.6214 H 1 UNL111111111 0.1982 34 H -4.4949 -2.5020 -0.5073 H 1 UNL111111111 0.1590 35 H -1.5465 4.2542 1.2299 H 1 UNL111111111 0.1843 36 H 2.9847 -3.7652 0.4480 H 1 UNL111111111 0.1687 37 H -2.5403 -1.9592 -3.4638 H 1 UNL111111111 0.1609 38 H -4.1777 -2.2783 -2.8613 H 1 UNL111111111 0.1532 39 H -3.0339 0.4234 -3.2943 H 1 UNL111111111 0.2510 40 H -4.5548 0.1074 -2.7794 H 1 UNL111111111 0.2492 41 H 0.8529 5.7604 -0.8455 H 1 UNL111111111 0.3325 42 H 4.9322 -3.5011 -0.8245 H 1 UNL111111111 0.3316 @BOND 1 1 7 1 2 1 15 1 3 2 12 1 4 2 13 1 5 3 15 2 6 4 25 1 7 4 41 1 8 5 26 1 9 5 42 1 10 6 27 1 11 6 39 1 12 6 40 1 13 7 8 1 14 7 9 1 15 7 10 1 16 8 11 ar 17 8 14 ar 18 9 12 ar 19 9 16 ar 20 10 13 ar 21 10 17 ar 22 11 15 1 23 11 19 ar 24 12 20 ar 25 13 21 ar 26 14 18 ar 27 14 28 1 28 16 23 ar 29 16 29 1 30 17 24 ar 31 17 30 1 32 18 22 ar 33 18 27 1 34 19 22 ar 35 19 31 1 36 20 25 ar 37 20 32 1 38 21 26 ar 39 21 33 1 40 22 34 1 41 23 25 ar 42 23 35 1 43 24 26 ar 44 24 36 1 45 27 37 1 46 27 38 1