@MOLECULE n-(4-{hydroxy[(4-nitrobenzyl)oxy]phosphoryl}butanoyl)glycine 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 N 6.3859 -2.0436 0.3384 N.pl3 1 UNL1111 0.6223 2 O 7.2056 -1.7649 1.1994 O.2 1 UNL1111 -0.4006 3 O 6.3199 -3.1391 -0.1983 O.2 1 UNL1111 -0.4067 4 C 3.6460 0.9339 -0.8612 C.ar 1 UNL1111 0.0275 5 C 3.5638 -0.3485 -1.4118 C.ar 1 UNL1111 -0.1654 6 C 4.4615 -1.3340 -1.0190 C.ar 1 UNL1111 -0.0917 7 C 5.4415 -1.0181 -0.0730 C.ar 1 UNL1111 -0.0873 8 C 5.5292 0.2586 0.4892 C.ar 1 UNL1111 -0.0822 9 C 4.6238 1.2358 0.0886 C.ar 1 UNL1111 -0.1610 10 C 2.6386 1.9711 -1.2790 C.3 1 UNL1111 -0.0140 11 O 1.3171 1.4855 -1.0273 O.3 1 UNL1111 -0.3670 12 P 0.6275 1.5173 0.4391 P.3 1 UNL1111 0.2325 13 O 1.4867 1.2839 1.5968 O.2 1 UNL1111 -0.2577 14 O 0.0425 3.0074 0.5435 O.3 1 UNL1111 -0.3562 15 C -0.7112 0.3285 -0.0075 C.3 1 UNL1111 -0.2085 16 C -2.1666 0.8018 0.2085 C.3 1 UNL1111 -0.2134 17 C -3.1066 -0.3842 -0.0679 C.3 1 UNL1111 -0.3614 18 C -4.5332 0.1144 -0.0687 C.2 1 UNL1111 0.5907 19 O -4.8952 1.1089 -0.6609 O.2 1 UNL1111 -0.5287 20 N -5.4349 -0.6165 0.6929 N.am 1 UNL1111 -0.5938 21 C -6.8526 -0.2846 0.6405 C.3 1 UNL1111 -0.1437 22 C -7.6185 -1.4279 0.0134 C.2 1 UNL1111 0.6118 23 O -7.2362 -2.5488 -0.1902 O.2 1 UNL1111 -0.5016 24 O -8.8758 -1.0323 -0.2915 O.3 1 UNL1111 -0.5503 25 H 2.7833 -0.5758 -2.1381 H 1 UNL1111 0.1656 26 H 4.4051 -2.3420 -1.4390 H 1 UNL1111 0.1804 27 H 6.2946 0.4802 1.2391 H 1 UNL1111 0.1842 28 H 4.6626 2.2290 0.5383 H 1 UNL1111 0.1702 29 H 2.5977 2.0797 -2.3892 H 1 UNL1111 0.1424 30 H 2.8446 2.9717 -0.8471 H 1 UNL1111 0.1409 31 H -0.4673 3.2518 -0.3048 H 1 UNL1111 0.3012 32 H -0.5234 -0.6067 0.6025 H 1 UNL1111 0.1890 33 H -0.5781 0.0269 -1.0906 H 1 UNL1111 0.1883 34 H -2.4402 1.6435 -0.4674 H 1 UNL1111 0.1647 35 H -2.3497 1.1783 1.2384 H 1 UNL1111 0.1614 36 H -2.9351 -1.1925 0.6675 H 1 UNL1111 0.1610 37 H -2.8945 -0.8257 -1.0662 H 1 UNL1111 0.1753 38 H -5.1998 -1.5173 1.0847 H 1 UNL1111 0.3217 39 H -7.0222 0.6662 0.0617 H 1 UNL1111 0.2171 40 H -7.2427 -0.0873 1.6704 H 1 UNL1111 0.1809 41 H -9.4302 -1.7422 -0.7055 H 1 UNL1111 0.3620 @BOND 1 1 2 2 2 1 3 2 3 1 7 1 4 4 5 ar 5 4 9 ar 6 4 10 1 7 5 6 ar 8 5 25 1 9 6 7 ar 10 6 26 1 11 7 8 ar 12 8 9 ar 13 8 27 1 14 9 28 1 15 10 11 1 16 10 29 1 17 10 30 1 18 11 12 1 19 12 13 2 20 12 14 1 21 12 15 1 22 14 31 1 23 15 16 1 24 15 32 1 25 15 33 1 26 16 17 1 27 16 34 1 28 16 35 1 29 17 18 1 30 17 36 1 31 17 37 1 32 18 19 2 33 18 20 am 34 20 21 1 35 20 38 1 36 21 22 1 37 21 39 1 38 21 40 1 39 22 23 2 40 22 24 1 41 24 41 1