@MOLECULE 2-[(3r)-3-hydroxybutyl]-1-methyl-9,10-anthraquinone 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.7506 1.1982 -0.4279 O.3 1 UNL1111111111 -0.5623 2 O 1.1217 2.3700 -0.2489 O.2 1 UNL1111111111 -0.4386 3 O 2.6311 -2.7334 0.0937 O.2 1 UNL1111111111 -0.4239 4 C -1.8539 -0.6662 -0.5623 C.ar 1 UNL1111111111 -0.0060 5 C -3.3192 -0.4327 -0.7926 C.3 1 UNL1111111111 -0.2815 6 C -0.9356 0.3988 -0.4443 C.ar 1 UNL1111111111 0.0887 7 C 0.4238 0.1136 -0.2523 C.ar 1 UNL1111111111 -0.1518 8 C -4.0514 -0.2375 0.5395 C.3 1 UNL1111111111 -0.3282 9 C 0.8569 -1.2176 -0.1653 C.ar 1 UNL1111111111 -0.1176 10 C -5.5517 0.0038 0.2994 C.3 1 UNL1111111111 0.1829 11 C -1.4094 -1.9808 -0.4692 C.ar 1 UNL1111111111 -0.1557 12 C 1.4245 1.2012 -0.1512 C.2 1 UNL1111111111 0.4592 13 C -0.0575 -2.2588 -0.2711 C.ar 1 UNL1111111111 -0.1070 14 C 2.8522 0.8513 0.0687 C.ar 1 UNL1111111111 -0.1134 15 C 3.2705 -0.4770 0.1525 C.ar 1 UNL1111111111 -0.1141 16 C 2.2839 -1.5751 0.0325 C.2 1 UNL1111111111 0.4506 17 C -1.3971 1.8103 -0.5406 C.3 1 UNL1111111111 -0.4593 18 C -6.3278 0.0467 1.6151 C.3 1 UNL1111111111 -0.5084 19 C 3.7823 1.8838 0.1823 C.ar 1 UNL1111111111 -0.0978 20 C 4.6184 -0.7726 0.3484 C.ar 1 UNL1111111111 -0.0961 21 C 5.1320 1.5877 0.3780 C.ar 1 UNL1111111111 -0.1374 22 C 5.5489 0.2617 0.4601 C.ar 1 UNL1111111111 -0.1389 23 H -3.4980 0.4504 -1.4455 H 1 UNL1111111111 0.1700 24 H -3.7659 -1.2762 -1.3554 H 1 UNL1111111111 0.1504 25 H -3.6120 0.6134 1.0888 H 1 UNL1111111111 0.1501 26 H -3.9111 -1.1211 1.1912 H 1 UNL1111111111 0.1512 27 H -5.9831 -0.7577 -0.3933 H 1 UNL1111111111 0.1394 28 H -2.1162 -2.8058 -0.5591 H 1 UNL1111111111 0.1575 29 H 0.2882 -3.2943 -0.2060 H 1 UNL1111111111 0.1777 30 H -2.4833 1.9317 -0.5970 H 1 UNL1111111111 0.1528 31 H -1.0565 2.4079 0.3259 H 1 UNL1111111111 0.1831 32 H -0.9716 2.3064 -1.4319 H 1 UNL1111111111 0.1827 33 H -5.9830 0.8492 2.2736 H 1 UNL1111111111 0.1511 34 H -7.3972 0.2174 1.4286 H 1 UNL1111111111 0.1619 35 H -6.2317 -0.8965 2.1645 H 1 UNL1111111111 0.1551 36 H 3.4490 2.9234 0.1154 H 1 UNL1111111111 0.1765 37 H 4.9397 -1.8157 0.4121 H 1 UNL1111111111 0.1751 38 H 5.8582 2.3948 0.4652 H 1 UNL1111111111 0.1544 39 H 6.6021 0.0306 0.6131 H 1 UNL1111111111 0.1546 40 H -5.4525 1.9804 0.0708 H 1 UNL1111111111 0.3132 @BOND 1 1 10 1 2 1 40 1 3 2 12 2 4 3 16 2 5 4 5 1 6 4 6 ar 7 4 11 ar 8 5 8 1 9 5 23 1 10 5 24 1 11 6 7 ar 12 6 17 1 13 7 9 ar 14 7 12 1 15 8 10 1 16 8 25 1 17 8 26 1 18 9 13 ar 19 9 16 1 20 10 18 1 21 10 27 1 22 11 13 ar 23 11 28 1 24 12 14 1 25 13 29 1 26 14 15 ar 27 14 19 ar 28 15 16 1 29 15 20 ar 30 17 30 1 31 17 31 1 32 17 32 1 33 18 33 1 34 18 34 1 35 18 35 1 36 19 21 ar 37 19 36 1 38 20 22 ar 39 20 37 1 40 21 22 ar 41 21 38 1 42 22 39 1