@MOLECULE 3,4-diethyl-1,6,8,10,11,13-hexahydroxyphenanthro[1,10,9,8-opqra]perylene-7,14-dione 41 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0303 4.8027 0.2522 O.2 1 UNL111111 -0.2410 2 O 0.4107 -4.8140 -0.0262 O.2 1 UNL111111 -0.2456 3 O -2.5601 4.6240 0.4124 O.3 1 UNL111111 -0.3163 4 O -2.1757 -4.8809 -0.2937 O.3 1 UNL111111 -0.2777 5 O 4.8797 1.1759 -0.8967 O.3 1 UNL111111 -0.3157 6 O 4.9927 -0.6821 0.8504 O.3 1 UNL111111 -0.2766 7 O 2.6031 4.8954 -0.2955 O.3 1 UNL111111 -0.2857 8 O 2.9804 -4.7320 -0.1047 O.3 1 UNL111111 -0.2318 9 C 0.2041 0.7042 -0.0183 C.ar 1 UNL111111 0.0149 10 C 0.2659 -0.7063 0.0004 C.ar 1 UNL111111 0.0211 11 C -1.0631 1.3855 -0.0165 C.ar 1 UNL111111 0.0089 12 C -0.9499 -1.4798 0.0020 C.ar 1 UNL111111 -0.0008 13 C 1.4095 1.4874 -0.0347 C.ar 1 UNL111111 0.0259 14 C 1.5353 -1.3895 0.0311 C.ar 1 UNL111111 0.0237 15 C -2.2677 0.6057 -0.0613 C.ar 1 UNL111111 -0.0126 16 C -2.2055 -0.7771 0.0318 C.ar 1 UNL111111 0.0005 17 C 2.6673 0.7797 -0.0566 C.ar 1 UNL111111 -0.0813 18 C 2.7299 -0.5787 0.0876 C.ar 1 UNL111111 -0.0678 19 C -1.1426 2.7677 0.0644 C.ar 1 UNL111111 -0.1518 20 C -0.9072 -2.8703 -0.0380 C.ar 1 UNL111111 -0.1602 21 C 1.3461 2.8744 0.0213 C.ar 1 UNL111111 -0.1769 22 C 1.5904 -2.7799 -0.0221 C.ar 1 UNL111111 -0.1615 23 C -3.5530 1.2807 -0.2062 C.ar 1 UNL111111 0.1239 24 C -3.4554 -1.5509 0.1797 C.ar 1 UNL111111 0.0618 25 C 0.0687 3.5982 0.1258 C.2 1 UNL111111 0.3848 26 C 0.3676 -3.6022 -0.0391 C.2 1 UNL111111 0.3829 27 C -2.4544 3.4525 0.1288 C.ar 1 UNL111111 0.4151 28 C -2.1560 -3.6959 -0.0770 C.ar 1 UNL111111 0.4051 29 C 3.9280 1.5921 -0.2889 C.ar 1 UNL111111 0.3665 30 C 4.0518 -1.2553 0.3443 C.ar 1 UNL111111 0.3480 31 C -3.6397 2.6274 -0.1370 C.ar 1 UNL111111 -0.2960 32 C -3.2909 -2.8544 0.1322 C.ar 1 UNL111111 -0.1224 33 C 2.5882 3.7200 -0.0381 C.ar 1 UNL111111 0.3580 34 C 2.8864 -3.5191 -0.0488 C.ar 1 UNL111111 0.3233 35 C -4.7185 0.4328 -0.4152 C.3 1 UNL111111 -0.4930 36 C -4.6890 -0.8119 0.3513 C.3 1 UNL111111 -0.4726 37 C 3.7002 2.8811 0.2542 C.ar 1 UNL111111 0.0010 38 C 3.9747 -2.6215 0.0073 C.ar 1 UNL111111 -0.0355 39 C -5.6607 0.6637 -1.3265 C.3 1 UNL111111 0.4797 40 C -5.6434 -1.1446 1.2171 C.3 1 UNL111111 0.4883 41 H -4.5815 3.1680 -0.2291 H 1 UNL111111 0.1892 @BOND 1 39 35 1 2 40 36 1 3 35 23 1 4 36 24 1 5 41 31 1 6 23 31 ar 7 23 15 ar 8 24 32 ar 9 24 16 ar 10 32 28 ar 11 31 27 ar 12 3 27 1 13 4 28 1 14 15 16 ar 15 15 11 ar 16 16 12 ar 17 28 20 ar 18 27 19 ar 19 20 12 ar 20 20 26 1 21 19 11 ar 22 19 25 1 23 12 10 ar 24 11 9 ar 25 26 2 2 26 26 22 1 27 10 9 ar 28 10 14 ar 29 25 1 2 30 25 21 1 31 9 13 ar 32 14 22 ar 33 14 18 ar 34 13 21 ar 35 13 17 ar 36 22 34 ar 37 21 33 ar 38 34 8 1 39 34 38 ar 40 33 7 1 41 33 37 ar 42 17 18 ar 43 17 29 ar 44 18 30 ar 45 38 30 ar 46 37 29 ar 47 29 5 1 48 30 6 1