@MOLECULE 2-hydroxyphenyl 1-(2-nitrophenyl)ethyl hydrogen phosphate 37 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -0.3880 -1.7551 0.3878 P.3 1 UNL1 0.3496 2 O 0.2493 -1.4125 -1.0407 O.3 1 UNL1 -0.3436 3 O -1.2032 -0.4110 0.7372 O.3 1 UNL1 -0.2808 4 O -1.4355 -2.8679 -0.0299 O.3 1 UNL1 -0.2738 5 O 0.4252 -2.0684 1.5432 O.2 1 UNL1 -0.1650 6 O 4.3147 0.2968 1.6763 O.2 1 UNL1 -0.3852 7 O 4.2282 -0.7520 -0.1980 O.2 1 UNL1 -0.4205 8 O -3.1844 0.3784 2.3765 O.3 1 UNL1 -0.4585 9 N 3.8200 0.0976 0.5802 N.pl3 1 UNL1 0.6265 10 C 1.6144 -0.9448 -1.1789 C.3 1 UNL1 0.1694 11 C 1.7193 0.4909 -0.7110 C.ar 1 UNL1 0.0091 12 C 1.8052 -1.0452 -2.6949 C.3 1 UNL1 -0.4668 13 C 2.7162 0.9478 0.1577 C.ar 1 UNL1 -0.0756 14 C 0.7398 1.4025 -1.1210 C.ar 1 UNL1 -0.1406 15 C 2.7072 2.2569 0.6552 C.ar 1 UNL1 -0.0990 16 C 0.7276 2.7077 -0.6397 C.ar 1 UNL1 -0.1021 17 C 1.7072 3.1351 0.2574 C.ar 1 UNL1 -0.1597 18 C -2.3404 0.0346 0.1185 C.ar 1 UNL1 0.1370 19 C -3.3221 0.4921 1.0333 C.ar 1 UNL1 0.2101 20 C -2.5440 0.1993 -1.2473 C.ar 1 UNL1 -0.2195 21 C -4.4816 1.1125 0.5806 C.ar 1 UNL1 -0.2125 22 C -3.7139 0.8212 -1.6945 C.ar 1 UNL1 -0.1725 23 C -4.6712 1.2726 -0.7928 C.ar 1 UNL1 -0.1428 24 H -1.7640 -2.6851 -0.9904 H 1 UNL1 0.3139 25 H -2.3471 -0.1053 2.6147 H 1 UNL1 0.3492 26 H 2.3280 -1.6344 -0.6574 H 1 UNL1 0.1698 27 H 1.0678 -0.4500 -3.2450 H 1 UNL1 0.1541 28 H 1.7036 -2.0860 -3.0318 H 1 UNL1 0.1651 29 H 2.8078 -0.6980 -2.9771 H 1 UNL1 0.1665 30 H -0.0409 1.0783 -1.8132 H 1 UNL1 0.1696 31 H 3.4810 2.5805 1.3576 H 1 UNL1 0.1795 32 H -0.0573 3.3950 -0.9570 H 1 UNL1 0.1557 33 H 1.6865 4.1519 0.6465 H 1 UNL1 0.1610 34 H -1.8117 -0.1367 -1.9795 H 1 UNL1 0.1644 35 H -5.2214 1.4600 1.2982 H 1 UNL1 0.1720 36 H -3.8729 0.9506 -2.7621 H 1 UNL1 0.1471 37 H -5.5770 1.7542 -1.1556 H 1 UNL1 0.1488 @BOND 1 27 12 1 2 28 12 1 3 29 12 1 4 36 22 1 5 12 10 1 6 34 20 1 7 30 14 1 8 22 20 ar 9 22 23 ar 10 20 18 ar 11 10 2 1 12 10 11 1 13 10 26 1 14 37 23 1 15 14 11 ar 16 14 16 ar 17 2 1 1 18 24 4 1 19 32 16 1 20 23 21 ar 21 11 13 ar 22 16 17 ar 23 7 9 2 24 4 1 1 25 18 3 1 26 18 19 ar 27 13 9 1 28 13 15 ar 29 17 33 1 30 17 15 ar 31 1 3 1 32 1 5 2 33 9 6 2 34 21 19 ar 35 21 35 1 36 15 31 1 37 19 8 1 38 8 25 1