@MOLECULE (1r,12as,12br)-1,4,9,12a-tetrahydroxy-1,2,12a,12b-tetrahydro-3,10-perylenedione 40 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1913 1.1224 1.5381 O.3 1 UNL1111111111 -0.5322 2 O 2.0744 2.3324 -1.9434 O.3 1 UNL1111111111 -0.5583 3 O 4.6399 0.9257 0.3882 O.2 1 UNL1111111111 -0.5179 4 O 4.6298 -1.7008 0.4861 O.3 1 UNL1111111111 -0.4633 5 O -5.0057 -1.0744 -0.2510 O.3 1 UNL1111111111 -0.4170 6 O -4.6129 1.2635 0.9713 O.2 1 UNL1111111111 -0.3861 7 C 0.6136 0.9391 -0.6594 C.3 1 UNL1111111111 -0.2329 8 C -0.6650 1.0679 0.2058 C.3 1 UNL1111111111 0.2826 9 C 1.3212 -0.3195 -0.2442 C.ar 1 UNL1111111111 0.1673 10 C 1.5134 2.1928 -0.6580 C.3 1 UNL1111111111 0.1894 11 C -1.5142 -0.1806 -0.0067 C.ar 1 UNL1111111111 -0.0104 12 C 0.5679 -1.4956 -0.1701 C.ar 1 UNL1111111111 -0.1484 13 C -0.8868 -1.4059 -0.2657 C.ar 1 UNL1111111111 -0.0482 14 C 2.6107 2.1533 0.4014 C.3 1 UNL1111111111 -0.4376 15 C 2.6914 -0.3384 0.0501 C.ar 1 UNL1111111111 -0.3880 16 C -1.4409 2.3378 -0.0519 C.2 1 UNL1111111111 -0.1559 17 C -2.9068 -0.0926 0.0414 C.ar 1 UNL1111111111 -0.2511 18 C 3.4276 0.9042 0.2702 C.2 1 UNL1111111111 0.5308 19 C 1.2143 -2.7180 0.0878 C.ar 1 UNL1111111111 -0.0181 20 C 3.3178 -1.5803 0.2617 C.ar 1 UNL1111111111 0.3973 21 C -1.6723 -2.5275 -0.5721 C.ar 1 UNL1111111111 -0.0605 22 C -2.7689 2.3931 0.0458 C.2 1 UNL1111111111 -0.2441 23 C -3.5550 1.1860 0.4000 C.2 1 UNL1111111111 0.4621 24 C -3.6656 -1.2312 -0.2559 C.ar 1 UNL1111111111 0.3245 25 C 2.5818 -2.7789 0.2705 C.ar 1 UNL1111111111 -0.2999 26 C -3.0562 -2.4515 -0.5765 C.ar 1 UNL1111111111 -0.3086 27 H 0.2723 0.8019 -1.7303 H 1 UNL1111111111 0.1991 28 H 0.9157 3.1329 -0.5739 H 1 UNL1111111111 0.1525 29 H 2.1556 2.1850 1.4208 H 1 UNL1111111111 0.2070 30 H 3.2536 3.0564 0.3287 H 1 UNL1111111111 0.1927 31 H -0.8437 3.2211 -0.2816 H 1 UNL1111111111 0.1685 32 H -0.9269 0.9906 2.1765 H 1 UNL1111111111 0.3292 33 H 0.6261 -3.6358 0.1528 H 1 UNL1111111111 0.1538 34 H -1.1893 -3.4746 -0.8210 H 1 UNL1111111111 0.1588 35 H -3.3501 3.3017 -0.1063 H 1 UNL1111111111 0.1817 36 H 2.7592 1.6566 -2.1197 H 1 UNL1111111111 0.3245 37 H 3.0986 -3.7197 0.4442 H 1 UNL1111111111 0.1850 38 H -3.6579 -3.3215 -0.8214 H 1 UNL1111111111 0.1677 39 H 5.0892 -0.7910 0.4894 H 1 UNL1111111111 0.3798 40 H -5.4841 -1.9208 -0.4480 H 1 UNL1111111111 0.3242 @BOND 1 1 8 1 2 1 32 1 3 2 10 1 4 2 36 1 5 3 18 2 6 4 20 1 7 4 39 1 8 5 24 1 9 5 40 1 10 6 23 2 11 7 8 1 12 7 9 1 13 7 10 1 14 7 27 1 15 8 11 1 16 8 16 1 17 9 12 ar 18 9 15 ar 19 10 14 1 20 10 28 1 21 11 13 ar 22 11 17 ar 23 12 13 1 24 12 19 ar 25 13 21 ar 26 14 18 1 27 14 29 1 28 14 30 1 29 15 18 1 30 15 20 ar 31 16 22 2 32 16 31 1 33 17 23 1 34 17 24 ar 35 19 25 ar 36 19 33 1 37 20 25 ar 38 21 26 ar 39 21 34 1 40 22 23 1 41 22 35 1 42 24 26 ar 43 25 37 1 44 26 38 1