@MOLECULE s-(10-hydroxy-9,10-dihydro-9-phenanthrenyl)-l-cysteine 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 S1 -0.9416 0.4151 0.8742 S.3 1 <1> 0.0192 2 O1 1.1621 0.9244 -2.5093 O.3 1 <1> -0.5490 3 O2 -5.2271 -0.8803 0.1200 O.3 1 <1> -0.5869 4 O3 -4.4643 0.3329 1.8311 O.2 1 <1> -0.4680 5 N1 -4.2259 1.3576 -1.3374 N.3 1 <1> -0.6445 6 C1 -0.0540 -0.0254 -0.6825 C.3 1 <1> -0.2439 7 C2 0.8460 1.1332 -1.1497 C.3 1 <1> 0.1524 8 C3 0.7144 -1.2663 -0.3832 C.ar 1 <1> -0.0078 9 C4 2.1002 1.2523 -0.3303 C.ar 1 <1> -0.0809 10 C5 2.0467 -1.1942 0.0538 C.ar 1 <1> -0.0322 11 C6 2.6677 0.1159 0.2631 C.ar 1 <1> -0.0041 12 C7 0.1019 -2.5093 -0.5584 C.ar 1 <1> -0.1496 13 C8 2.6912 2.5033 -0.1703 C.ar 1 <1> -0.1258 14 C9 2.7573 -2.3799 0.2686 C.ar 1 <1> -0.1449 15 C10 3.8095 0.2657 1.0568 C.ar 1 <1> -0.1546 16 C11 -2.3383 1.4018 0.2233 C.3 1 <1> -0.3378 17 C12 0.8134 -3.6815 -0.3197 C.ar 1 <1> -0.1381 18 C13 -3.4269 0.5261 -0.4061 C.3 1 <1> 0.0013 19 C14 2.1447 -3.6160 0.0850 C.ar 1 <1> -0.1444 20 C15 3.8428 2.6375 0.6017 C.ar 1 <1> -0.1516 21 C16 4.3943 1.5185 1.2221 C.ar 1 <1> -0.1317 22 C17 -4.3849 0.0363 0.6742 C.2 1 <1> 0.6257 23 H1 -0.7974 -0.2168 -1.4960 H 1 <1> 0.1758 24 H2 0.2841 2.0986 -1.1999 H 1 <1> 0.1548 25 H3 -0.9361 -2.5654 -0.8817 H 1 <1> 0.1547 26 H4 2.2531 3.3781 -0.6503 H 1 <1> 0.1562 27 H5 3.8014 -2.3406 0.5761 H 1 <1> 0.1566 28 H6 4.2431 -0.5969 1.5612 H 1 <1> 0.1563 29 H7 -1.9857 2.1696 -0.4907 H 1 <1> 0.1714 30 H8 -2.7491 1.9812 1.0823 H 1 <1> 0.1998 31 H9 1.7996 0.1897 -2.6198 H 1 <1> 0.3254 32 H10 0.3298 -4.6478 -0.4523 H 1 <1> 0.1515 33 H11 -2.9909 -0.3767 -0.9183 H 1 <1> 0.1513 34 H12 2.7074 -4.5313 0.2581 H 1 <1> 0.1527 35 H13 4.3061 3.6142 0.7240 H 1 <1> 0.1509 36 H14 5.2846 1.6225 1.8402 H 1 <1> 0.1508 37 H15 -5.0577 0.8765 -1.6484 H 1 <1> 0.2678 38 H16 -3.6831 1.6423 -2.1377 H 1 <1> 0.2608 39 H17 -5.8955 -1.2427 0.7496 H 1 <1> 0.3603 @BOND 1 1 6 1 2 1 16 1 3 2 7 1 4 2 31 1 5 3 22 1 6 3 39 1 7 4 22 2 8 5 18 1 9 5 37 1 10 5 38 1 11 6 7 1 12 6 8 1 13 6 23 1 14 7 9 1 15 7 24 1 16 8 10 ar 17 8 12 ar 18 9 11 ar 19 9 13 ar 20 10 11 1 21 10 14 ar 22 11 15 ar 23 12 17 ar 24 12 25 1 25 13 20 ar 26 13 26 1 27 14 19 ar 28 14 27 1 29 15 21 ar 30 15 28 1 31 16 18 1 32 16 29 1 33 16 30 1 34 17 19 ar 35 17 32 1 36 18 22 1 37 18 33 1 38 19 34 1 39 20 21 ar 40 20 35 1 41 21 36 1