@MOLECULE pentachlorophenyl d-glucopyranosiduronic acid 33 34 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.1747 -1.6878 1.6356 Cl 1 UNL1111 0.0542 2 CL -1.1789 3.0870 -0.2422 Cl 1 UNL1111 0.0284 3 CL -3.9829 2.0007 -1.0528 Cl 1 UNL1111 0.0221 4 CL -2.6073 -2.8179 0.8227 Cl 1 UNL1111 0.0307 5 CL -4.6750 -0.9656 -0.5205 Cl 1 UNL1111 0.0241 6 O 1.5989 -0.2308 -0.3352 O.3 1 UNL1111 -0.4281 7 O 0.5345 1.1423 1.0640 O.3 1 UNL1111 -0.3015 8 O 5.0762 1.3780 1.0978 O.3 1 UNL1111 -0.5560 9 O 2.6995 3.0438 0.6458 O.3 1 UNL1111 -0.5372 10 O 5.1660 -0.5372 -1.0347 O.3 1 UNL1111 -0.5613 11 O 3.6441 -2.5931 -1.9109 O.3 1 UNL1111 -0.6187 12 O 1.6783 -2.8472 -0.8853 O.2 1 UNL1111 -0.4065 13 C 4.0831 1.1686 0.1171 C.3 1 UNL1111 0.0756 14 C 2.7841 1.6426 0.7906 C.3 1 UNL1111 0.0621 15 C 4.0238 -0.3266 -0.2399 C.3 1 UNL1111 0.0581 16 C 2.7445 -0.6186 -1.0508 C.3 1 UNL1111 0.0040 17 C 1.5334 1.1347 0.0499 C.3 1 UNL1111 0.2905 18 C 2.5561 -2.1163 -1.2266 C.2 1 UNL1111 0.6089 19 C -0.6623 0.6317 0.6347 C.ar 1 UNL1111 0.1742 20 C -0.9746 -0.7063 0.8920 C.ar 1 UNL1111 -0.0461 21 C -1.5991 1.4741 0.0343 C.ar 1 UNL1111 -0.0810 22 C -2.8486 0.9775 -0.3199 C.ar 1 UNL1111 -0.0329 23 C -2.2259 -1.1961 0.5316 C.ar 1 UNL1111 -0.0362 24 C -3.1589 -0.3575 -0.0754 C.ar 1 UNL1111 -0.0449 25 H 4.3334 1.7902 -0.7750 H 1 UNL1111 0.1577 26 H 2.7616 1.3674 1.8727 H 1 UNL1111 0.1732 27 H 4.0964 -0.9641 0.6710 H 1 UNL1111 0.1582 28 H 1.2342 1.7464 -0.8252 H 1 UNL1111 0.1525 29 H 2.7642 -0.1103 -2.0462 H 1 UNL1111 0.1732 30 H 5.9402 1.0297 0.7781 H 1 UNL1111 0.3414 31 H 3.3774 3.4800 1.2112 H 1 UNL1111 0.3378 32 H 5.1066 -1.4074 -1.4957 H 1 UNL1111 0.3514 33 H 3.6249 -3.5655 -2.0808 H 1 UNL1111 0.3723 @BOND 1 1 20 1 2 2 21 1 3 3 22 1 4 4 23 1 5 5 24 1 6 6 16 1 7 6 17 1 8 7 17 1 9 7 19 1 10 8 13 1 11 8 30 1 12 9 14 1 13 9 31 1 14 10 15 1 15 10 32 1 16 11 18 1 17 11 33 1 18 12 18 2 19 13 14 1 20 13 15 1 21 13 25 1 22 14 17 1 23 14 26 1 24 15 16 1 25 15 27 1 26 16 18 1 27 16 29 1 28 17 28 1 29 19 20 ar 30 19 21 ar 31 20 23 ar 32 21 22 ar 33 22 24 ar 34 23 24 ar