@MOLECULE 1,3,6-trihydroxy-8-propyl-9,10-anthraquinone 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2644 -2.1138 -0.4157 O.2 1 UNL1111111111 -0.4194 2 O 0.9993 3.0274 0.2853 O.2 1 UNL1111111111 -0.4050 3 O -4.0208 2.9694 -0.0500 O.3 1 UNL1111111111 -0.4631 4 O 2.1286 -2.7515 -0.3529 O.3 1 UNL1111111111 -0.3885 5 O 5.4060 0.5711 0.2519 O.3 1 UNL1111111111 -0.4583 6 C -1.0518 0.0908 -0.2008 C.ar 1 UNL1111111111 -0.2138 7 C -2.4102 -0.2554 -0.3264 C.ar 1 UNL1111111111 0.1489 8 C -0.7062 1.4361 -0.0187 C.ar 1 UNL1111111111 -0.0254 9 C -2.9002 -1.6590 -0.5002 C.3 1 UNL1111111111 -0.3000 10 C 1.4188 -0.5212 -0.1235 C.ar 1 UNL1111111111 -0.2906 11 C 0.0109 -0.9468 -0.2602 C.2 1 UNL1111111111 0.4900 12 C 1.7681 0.8199 0.0611 C.ar 1 UNL1111111111 0.0308 13 C 0.7088 1.8649 0.1236 C.2 1 UNL1111111111 0.4338 14 C -2.9803 -2.3560 0.8697 C.3 1 UNL1111111111 -0.2286 15 C -3.3895 0.7420 -0.2726 C.ar 1 UNL1111111111 -0.2823 16 C -1.6671 2.4379 0.0387 C.ar 1 UNL1111111111 -0.2815 17 C -3.0091 2.0696 -0.0919 C.ar 1 UNL1111111111 0.3108 18 C 2.4672 -1.4633 -0.1747 C.ar 1 UNL1111111111 0.3857 19 C 3.0861 1.2305 0.1911 C.ar 1 UNL1111111111 -0.3345 20 C -3.5744 -3.7560 0.7266 C.3 1 UNL1111111111 -0.4393 21 C 4.0968 0.2586 0.1344 C.ar 1 UNL1111111111 0.3744 22 C 3.8122 -1.0910 -0.0473 C.ar 1 UNL1111111111 -0.4184 23 H -3.8955 -1.6771 -0.9884 H 1 UNL1111111111 0.1457 24 H -2.2411 -2.2423 -1.1814 H 1 UNL1111111111 0.1851 25 H -1.9655 -2.4216 1.3125 H 1 UNL1111111111 0.1523 26 H -3.5867 -1.7516 1.5693 H 1 UNL1111111111 0.1315 27 H -4.4463 0.4960 -0.3645 H 1 UNL1111111111 0.1828 28 H -1.3752 3.4775 0.1811 H 1 UNL1111111111 0.1843 29 H 3.3236 2.2836 0.3335 H 1 UNL1111111111 0.1892 30 H -4.5874 -3.7268 0.3123 H 1 UNL1111111111 0.1391 31 H -2.9610 -4.3803 0.0649 H 1 UNL1111111111 0.1489 32 H -3.6266 -4.2638 1.6960 H 1 UNL1111111111 0.1400 33 H 4.6151 -1.8192 -0.0873 H 1 UNL1111111111 0.1875 34 H -3.6959 3.8950 0.0797 H 1 UNL1111111111 0.3319 35 H 2.9242 -3.3491 -0.3770 H 1 UNL1111111111 0.3192 36 H 5.5538 1.5426 0.3787 H 1 UNL1111111111 0.3363 @BOND 1 1 11 2 2 2 13 2 3 3 17 1 4 3 34 1 5 4 18 1 6 4 35 1 7 5 21 1 8 5 36 1 9 6 7 ar 10 6 8 ar 11 6 11 1 12 7 9 1 13 7 15 ar 14 8 13 1 15 8 16 ar 16 9 14 1 17 9 23 1 18 9 24 1 19 10 11 1 20 10 12 ar 21 10 18 ar 22 12 13 1 23 12 19 ar 24 14 20 1 25 14 25 1 26 14 26 1 27 15 17 ar 28 15 27 1 29 16 17 ar 30 16 28 1 31 18 22 ar 32 19 21 ar 33 19 29 1 34 20 30 1 35 20 31 1 36 20 32 1 37 21 22 ar 38 22 33 1