@MOLECULE l-seryl-n,2-diphosphono-l-serine 35 34 0 0 0 SMALL GASTEIGER @ATOM 1 P -1.9963 0.8881 0.9838 P.3 1 UNL1111111111 0.2996 2 P 0.5126 -1.9914 0.5907 P.3 1 UNL1111111111 0.3745 3 O -3.3479 1.5068 0.4001 O.3 1 UNL1111111111 -0.3930 4 O -1.2133 2.2047 1.4177 O.3 1 UNL1111111111 -0.3103 5 O 0.1156 1.1149 -2.5701 O.3 1 UNL1111111111 -0.5757 6 O -2.2257 -0.1044 2.0303 O.2 1 UNL1111111111 -0.3342 7 O -0.8381 -2.7479 0.2789 O.3 1 UNL1111111111 -0.3187 8 O 0.4366 -1.8246 2.1590 O.3 1 UNL1111111111 -0.2781 9 O -2.8068 0.1550 -1.8702 O.3 1 UNL1111111111 -0.6081 10 O 1.2877 1.4949 0.8626 O.2 1 UNL1111111111 -0.5187 11 O 1.7652 -2.5788 0.1407 O.2 1 UNL1111111111 -0.2823 12 O -1.4427 -1.5779 -1.9949 O.2 1 UNL1111111111 -0.5096 13 O 3.9366 1.8777 1.0418 O.3 1 UNL1111111111 -0.5520 14 N 0.3772 -0.3866 -0.1071 N.am 1 UNL1111111111 -0.4638 15 N 2.7629 -0.2594 -1.7325 N.3 1 UNL1111111111 -0.6503 16 C -0.8691 0.3522 -0.4959 C.3 1 UNL1111111111 0.1574 17 C -0.4737 1.6017 -1.3971 C.3 1 UNL1111111111 0.0088 18 C 1.4747 0.4831 0.2250 C.2 1 UNL1111111111 0.6214 19 C -1.6690 -0.5097 -1.4931 C.2 1 UNL1111111111 0.6871 20 CA 2.8850 0.1728 -0.3228 C.3 1 UNL1111111111 -0.0752 21 C 3.7256 1.4775 -0.2888 C.3 1 UNL1111111111 -0.0090 22 H -1.3658 2.1477 -1.7751 H 1 UNL1111111111 0.1613 23 H 0.1974 2.3245 -0.8965 H 1 UNL1111111111 0.1582 24 HA 3.3816 -0.5861 0.3432 H 1 UNL1111111111 0.1776 25 H1 4.7456 1.3138 -0.6803 H 1 UNL1111111111 0.1384 26 H2 3.2364 2.2921 -0.8524 H 1 UNL1111111111 0.1313 27 H -3.5355 1.1205 -0.5274 H 1 UNL1111111111 0.3382 28 H -1.6763 2.5864 2.2535 H 1 UNL1111111111 0.3216 29 H 1.0017 0.7001 -2.3898 H 1 UNL1111111111 0.3629 30 H1 2.3264 -1.1740 -1.7970 H 1 UNL1111111111 0.2831 31 H2 3.6622 -0.3050 -2.1867 H 1 UNL1111111111 0.2553 32 H -0.9291 -2.8445 -0.7519 H 1 UNL1111111111 0.3462 33 H -0.5018 -1.4450 2.4095 H 1 UNL1111111111 0.3421 34 H -3.3226 -0.3103 -2.5745 H 1 UNL1111111111 0.3689 35 H 3.0571 2.0421 1.4664 H 1 UNL1111111111 0.3451 @BOND 1 1 3 1 2 1 4 1 3 1 6 2 4 1 16 1 5 2 7 1 6 2 8 1 7 2 11 2 8 2 14 1 9 3 27 1 10 4 28 1 11 5 17 1 12 5 29 1 13 7 32 1 14 8 33 1 15 9 19 1 16 9 34 1 17 10 18 2 18 12 19 2 19 13 21 1 20 13 35 1 21 14 16 1 22 14 18 am 23 15 20 1 24 15 30 1 25 15 31 1 26 16 17 1 27 16 19 1 28 17 22 1 29 17 23 1 30 18 20 1 31 20 21 1 32 20 24 1 33 21 25 1 34 21 26 1