@MOLECULE (1r,2r)-1,2-dihydro-1,2,9-chrysenetriol 35 38 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.9113 1.4834 1.4280 O.3 1 UNL1111111111 -0.5298 2 O 4.5512 -0.0573 -1.7306 O.3 1 UNL1111111111 -0.5298 3 O -5.3829 1.7679 -0.2226 O.3 1 UNL1111111111 -0.4688 4 C 2.0683 0.8107 0.0671 C.ar 1 UNL1111111111 -0.0702 5 C 3.5413 1.1119 0.1184 C.3 1 UNL1111111111 0.0889 6 C 1.6016 -0.4918 0.1815 C.ar 1 UNL1111111111 -0.0348 7 C 0.2038 -0.7442 0.1370 C.ar 1 UNL1111111111 0.0120 8 C 4.4269 -0.0812 -0.3251 C.3 1 UNL1111111111 0.0923 9 C -0.6967 0.3349 0.0159 C.ar 1 UNL1111111111 -0.0301 10 C -2.1242 0.0827 -0.0113 C.ar 1 UNL1111111111 0.0757 11 C 1.1703 1.8834 -0.0567 C.ar 1 UNL1111111111 -0.1442 12 C 2.5680 -1.5748 0.3480 C.2 1 UNL1111111111 -0.1461 13 C 3.8768 -1.4009 0.1214 C.2 1 UNL1111111111 -0.2066 14 C -0.1870 1.6488 -0.0760 C.ar 1 UNL1111111111 -0.1368 15 C -2.5904 -1.2441 0.0635 C.ar 1 UNL1111111111 -0.0828 16 C -0.3160 -2.0819 0.2013 C.ar 1 UNL1111111111 -0.1836 17 C -1.6506 -2.3215 0.1655 C.ar 1 UNL1111111111 -0.1126 18 C -3.0666 1.1292 -0.1100 C.ar 1 UNL1111111111 -0.3364 19 C -3.9797 -1.5195 0.0378 C.ar 1 UNL1111111111 -0.0814 20 C -4.4140 0.8219 -0.1311 C.ar 1 UNL1111111111 0.3058 21 C -4.8984 -0.5028 -0.0583 C.ar 1 UNL1111111111 -0.2333 22 H 3.8113 2.0169 -0.4803 H 1 UNL1111111111 0.1672 23 H 5.4773 0.0841 0.0192 H 1 UNL1111111111 0.1659 24 H 1.5571 2.9008 -0.1266 H 1 UNL1111111111 0.1645 25 H 2.1798 -2.5418 0.6734 H 1 UNL1111111111 0.1589 26 H 4.6025 -2.2036 0.2206 H 1 UNL1111111111 0.1607 27 H -0.8748 2.4900 -0.1662 H 1 UNL1111111111 0.1578 28 H 0.3872 -2.9111 0.2724 H 1 UNL1111111111 0.1574 29 H -2.0402 -3.3386 0.2124 H 1 UNL1111111111 0.1543 30 H -2.7371 2.1614 -0.1672 H 1 UNL1111111111 0.1667 31 H 3.5731 0.8327 2.0813 H 1 UNL1111111111 0.3188 32 H -4.3124 -2.5567 0.0965 H 1 UNL1111111111 0.1557 33 H 3.7041 -0.3099 -2.1571 H 1 UNL1111111111 0.3184 34 H -5.9705 -0.6817 -0.0805 H 1 UNL1111111111 0.1778 35 H -5.0128 2.6827 -0.2696 H 1 UNL1111111111 0.3287 @BOND 1 1 5 1 2 1 31 1 3 2 8 1 4 2 33 1 5 3 20 1 6 3 35 1 7 4 5 1 8 4 6 ar 9 4 11 ar 10 5 8 1 11 5 22 1 12 6 7 ar 13 6 12 1 14 7 9 ar 15 7 16 ar 16 8 13 1 17 8 23 1 18 9 10 ar 19 9 14 ar 20 10 15 ar 21 10 18 ar 22 11 14 ar 23 11 24 1 24 12 13 2 25 12 25 1 26 13 26 1 27 14 27 1 28 15 17 ar 29 15 19 ar 30 16 17 ar 31 16 28 1 32 17 29 1 33 18 20 ar 34 18 30 1 35 19 21 ar 36 19 32 1 37 20 21 ar 38 21 34 1