@MOLECULE 2-(2-hydroxyethoxy)-6-(2h-tetrazol-5-yl)-9h-xanthen-9-one 36 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.2989 1.2286 0.1334 O.2 1 UNL1 -0.2425 2 O 5.0351 -0.0039 0.1124 O.3 1 UNL1 -0.3428 3 O 0.8165 -2.7393 0.0632 O.2 1 UNL1 -0.4280 4 O 7.8434 -0.3982 0.2389 O.3 1 UNL1 -0.5317 5 N -6.0552 -0.6274 -0.1153 N.ar 1 UNL1 -0.2377 6 N -5.3960 1.5157 -0.0594 N.ar 1 UNL1 -0.2155 7 N -7.1001 0.2250 -0.1292 N.ar 1 UNL1 -0.1240 8 N -6.6829 1.5170 -0.0972 N.ar 1 UNL1 -0.0146 9 C 1.4688 -0.4686 0.1366 C.ar 1 UNL1 -0.2054 10 C -0.9053 -1.1271 0.0398 C.ar 1 UNL1 -0.2491 11 C -1.2262 0.2308 0.0681 C.ar 1 UNL1 0.2579 12 C 1.0221 0.8546 0.1704 C.ar 1 UNL1 0.1871 13 C 0.4966 -1.5738 0.0810 C.ar 1 UNL1 0.4853 14 C 2.8378 -0.7239 0.1297 C.ar 1 UNL1 -0.1232 15 C -2.5497 0.6882 0.0235 C.ar 1 UNL1 -0.2234 16 C -1.9489 -2.0541 -0.0111 C.ar 1 UNL1 -0.0216 17 C -3.5679 -0.2575 -0.0338 C.ar 1 UNL1 0.0737 18 C 3.7230 0.3594 0.1540 C.ar 1 UNL1 0.1794 19 C 1.9048 1.9370 0.2427 C.ar 1 UNL1 -0.1786 20 C -3.2689 -1.6307 -0.0520 C.ar 1 UNL1 -0.2064 21 C 3.2695 1.6823 0.2380 C.ar 1 UNL1 -0.1963 22 C -4.9526 0.1725 -0.0693 C.ar 1 UNL1 0.1282 23 C 5.9513 0.9957 -0.3449 C.3 1 UNL1 -0.1009 24 C 7.1605 0.1953 -0.8401 C.3 1 UNL1 -0.0170 25 H 3.2137 -1.7514 0.0970 H 1 UNL1 0.1954 26 H -2.7635 1.7605 0.0395 H 1 UNL1 0.2015 27 H -1.7147 -3.1237 -0.0324 H 1 UNL1 0.1800 28 H 1.5166 2.9532 0.2965 H 1 UNL1 0.1788 29 H -4.0716 -2.3690 -0.0914 H 1 UNL1 0.1804 30 H 3.9741 2.5081 0.3058 H 1 UNL1 0.1666 31 H 5.5121 1.5945 -1.1580 H 1 UNL1 0.1346 32 H 6.2091 1.6392 0.5145 H 1 UNL1 0.1465 33 H 7.9170 0.8666 -1.2946 H 1 UNL1 0.1482 34 H 6.8617 -0.5957 -1.5530 H 1 UNL1 0.1343 35 H -8.0554 -0.0883 -0.1600 H 1 UNL1 0.3559 36 H 7.2341 -1.0043 0.7169 H 1 UNL1 0.3247 @BOND 1 34 24 1 2 33 24 1 3 31 23 1 4 24 23 1 5 24 4 1 6 23 2 1 7 23 32 1 8 35 7 1 9 7 5 ar 10 7 8 ar 11 5 22 ar 12 8 6 ar 13 29 20 1 14 22 6 ar 15 22 17 1 16 20 17 ar 17 20 16 ar 18 17 15 ar 19 27 16 1 20 16 10 ar 21 15 26 1 22 15 11 ar 23 10 11 ar 24 10 13 ar 25 3 13 2 26 11 1 ar 27 13 9 ar 28 25 14 1 29 2 18 1 30 14 9 ar 31 14 18 ar 32 1 12 ar 33 9 12 ar 34 18 21 ar 35 12 19 ar 36 21 19 ar 37 21 30 1 38 4 36 1 39 19 28 1