@MOLECULE 4-nitrophenyl (4-carboxybutyl)phosphonate 33 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.6764 0.4183 -0.0808 C.ar 1 UNL1 -0.1541 2 N -6.1161 0.5649 -0.0774 N.pl3 1 UNL1 0.6375 3 O -6.6353 1.1749 0.8454 O.2 1 UNL1 -0.4136 4 O -6.7519 0.0739 -0.9983 O.2 1 UNL1 -0.4133 5 C -3.9266 0.9821 0.9607 C.ar 1 UNL1 -0.0334 6 C -2.5483 0.8451 0.9602 C.ar 1 UNL1 -0.2715 7 C -1.9341 0.1461 -0.0950 C.ar 1 UNL1 0.3721 8 C -2.6824 -0.4285 -1.1355 C.ar 1 UNL1 -0.2716 9 C -4.0614 -0.2868 -1.1234 C.ar 1 UNL1 -0.0317 10 O -0.5807 0.2137 -0.1682 O.3 1 UNL1 -0.3878 11 P 0.4453 -0.9811 0.2077 P.3 1 UNL1 0.2940 12 O 0.1447 -2.2554 -0.5196 O.2 1 UNL1 -0.1700 13 O 0.2166 -1.5216 1.5860 O.3 1 UNL1 -0.1629 14 C 1.8989 0.0122 -0.1909 C.3 1 UNL1 -0.1957 15 C 3.2622 -0.6229 0.2011 C.3 1 UNL1 -0.2254 16 C 4.3722 0.3560 -0.2104 C.3 1 UNL1 -0.2615 17 C 5.7439 -0.2024 0.1765 C.3 1 UNL1 -0.3490 18 C 6.8145 0.7784 -0.1792 C.2 1 UNL1 0.6408 19 O 6.7157 1.8496 -0.7155 O.2 1 UNL1 -0.5047 20 O 8.0283 0.2996 0.2012 O.3 1 UNL1 -0.5681 21 H -4.4326 1.5230 1.7680 H 1 UNL1 0.1823 22 H -1.9422 1.2693 1.7583 H 1 UNL1 0.1797 23 H -2.1901 -0.9755 -1.9382 H 1 UNL1 0.1832 24 H -4.6711 -0.7242 -1.9222 H 1 UNL1 0.1827 25 H 1.8014 1.0232 0.3169 H 1 UNL1 0.1989 26 H 1.8940 0.2310 -1.3042 H 1 UNL1 0.1964 27 H 3.4317 -1.6013 -0.2979 H 1 UNL1 0.1543 28 H 3.3342 -0.8225 1.2922 H 1 UNL1 0.1547 29 H 4.2176 1.3452 0.2672 H 1 UNL1 0.1559 30 H 4.3374 0.5519 -1.3014 H 1 UNL1 0.1553 31 H 5.9396 -1.1737 -0.3296 H 1 UNL1 0.1832 32 H 5.7924 -0.4327 1.2642 H 1 UNL1 0.1838 33 H 8.7810 0.9067 -0.0064 H 1 UNL1 0.3596 @BOND 1 23 8 1 2 24 9 1 3 26 14 1 4 30 16 1 5 8 9 ar 6 8 7 ar 7 9 1 ar 8 4 2 2 9 19 18 2 10 12 11 2 11 31 17 1 12 27 15 1 13 16 17 1 14 16 15 1 15 16 29 1 16 14 15 1 17 14 11 1 18 14 25 1 19 18 17 1 20 18 20 1 21 10 7 1 22 10 11 1 23 7 6 ar 24 1 2 1 25 1 5 ar 26 2 3 2 27 33 20 1 28 17 32 1 29 15 28 1 30 11 13 1 31 6 5 ar 32 6 22 1 33 5 21 1