@MOLECULE n-(3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthen]-5-yl)acetamide 44 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3760 0.0027 1.9688 O.3 1 UNL1111111111 -0.3914 2 O 3.2103 -0.0011 -0.9291 O.3 1 UNL1111111111 -0.2742 3 O -1.4440 0.0032 3.2658 O.2 1 UNL1111111111 -0.4049 4 O 3.5711 4.6933 -0.5958 O.3 1 UNL1111111111 -0.4638 5 O 3.6866 -4.6050 -0.6651 O.3 1 UNL1111111111 -0.4639 6 O -5.7312 -0.0069 0.6661 O.2 1 UNL1111111111 -0.4847 7 N -4.6418 -0.0053 -1.3428 N.am 1 UNL1111111111 -0.5876 8 C 0.7095 0.0002 0.5510 C.3 1 UNL1111111111 0.3074 9 C -0.6357 -0.0027 -0.1475 C.ar 1 UNL1111111111 -0.0886 10 C 1.4881 1.2405 0.2705 C.ar 1 UNL1111111111 -0.2447 11 C 1.4888 -1.2410 0.2761 C.ar 1 UNL1111111111 -0.2429 12 C -1.6465 -0.0006 0.8245 C.ar 1 UNL1111111111 -0.1332 13 C 2.6763 1.1688 -0.4556 C.ar 1 UNL1111111111 0.3044 14 C 2.6788 -1.1717 -0.4537 C.ar 1 UNL1111111111 0.2938 15 C -0.9968 0.0025 2.1575 C.2 1 UNL1111111111 0.5753 16 C -0.9476 -0.0068 -1.4916 C.ar 1 UNL1111111111 -0.0863 17 C 1.0464 2.4915 0.7178 C.ar 1 UNL1111111111 0.0083 18 C 1.0498 -2.4874 0.7287 C.ar 1 UNL1111111111 0.0193 19 C -2.9838 -0.0016 0.4977 C.ar 1 UNL1111111111 -0.1406 20 C 3.4249 2.3005 -0.7882 C.ar 1 UNL1111111111 -0.4005 21 C 3.4247 -2.3018 -0.7832 C.ar 1 UNL1111111111 -0.3379 22 C -3.3110 -0.0052 -0.8751 C.ar 1 UNL1111111111 0.2127 23 C -2.2970 -0.0081 -1.8523 C.ar 1 UNL1111111111 -0.2324 24 C 1.7603 3.6414 0.4198 C.ar 1 UNL1111111111 -0.2993 25 C 1.7661 -3.6405 0.4328 C.ar 1 UNL1111111111 -0.3609 26 C 2.9375 3.5259 -0.3367 C.ar 1 UNL1111111111 0.3545 27 C 2.9395 -3.5277 -0.3254 C.ar 1 UNL1111111111 0.3530 28 C -5.7898 -0.0051 -0.5388 C.2 1 UNL1111111111 0.6139 29 C -7.0801 -0.0028 -1.3090 C.3 1 UNL1111111111 -0.5344 30 H -0.1695 -0.0085 -2.2537 H 1 UNL1111111111 0.1666 31 H 0.1296 2.5535 1.3108 H 1 UNL1111111111 0.1684 32 H 0.1342 -2.5494 1.3230 H 1 UNL1111111111 0.1669 33 H -3.7494 0.0009 1.2803 H 1 UNL1111111111 0.2148 34 H 4.3401 2.2099 -1.3602 H 1 UNL1111111111 0.1840 35 H 4.3434 -2.2353 -1.3584 H 1 UNL1111111111 0.1974 36 H -2.5586 -0.0109 -2.9083 H 1 UNL1111111111 0.1557 37 H 1.4328 4.6213 0.7587 H 1 UNL1111111111 0.1840 38 H 1.4237 -4.6071 0.7847 H 1 UNL1111111111 0.1685 39 H -4.7608 -0.0044 -2.3515 H 1 UNL1111111111 0.3112 40 H 4.4048 4.5668 -1.1123 H 1 UNL1111111111 0.3316 41 H 3.3209 -5.4483 -0.3004 H 1 UNL1111111111 0.3312 42 H -7.1886 0.8913 -1.9373 H 1 UNL1111111111 0.1773 43 H -7.9340 -0.0076 -0.6083 H 1 UNL1111111111 0.1953 44 H -7.1862 -0.8899 -1.9475 H 1 UNL1111111111 0.1768 @BOND 1 1 8 1 2 1 15 1 3 2 13 1 4 2 14 1 5 3 15 2 6 4 26 1 7 4 40 1 8 5 27 1 9 5 41 1 10 6 28 2 11 7 22 1 12 7 28 am 13 7 39 1 14 8 9 1 15 8 10 1 16 8 11 1 17 9 12 ar 18 9 16 ar 19 10 13 ar 20 10 17 ar 21 11 14 ar 22 11 18 ar 23 12 15 1 24 12 19 ar 25 13 20 ar 26 14 21 ar 27 16 23 ar 28 16 30 1 29 17 24 ar 30 17 31 1 31 18 25 ar 32 18 32 1 33 19 22 ar 34 19 33 1 35 20 26 ar 36 20 34 1 37 21 27 ar 38 21 35 1 39 22 23 ar 40 23 36 1 41 24 26 ar 42 24 37 1 43 25 27 ar 44 25 38 1 45 28 29 1 46 29 42 1 47 29 43 1 48 29 44 1