@MOLECULE s-(2-{[3-(methylamino)propyl]amino}ethyl) dihydrogen phosphorothioate 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 S 2.2528 1.0233 0.0769 S.3 1 UNL111111 0.2056 2 P 3.8958 -0.2771 -0.0992 P.3 1 UNL111111 0.2813 3 O 3.8843 -0.9195 1.3686 O.3 1 UNL111111 -0.4319 4 O 5.0975 0.7824 -0.0683 O.3 1 UNL111111 -0.3873 5 O 4.0210 -1.2715 -1.1670 O.2 1 UNL111111 -0.3812 6 N -1.6362 -0.2163 0.0114 N.3 1 UNL111111 -0.5447 7 N -6.5370 -0.6741 0.0504 N.3 1 UNL111111 -0.5202 8 C -4.0830 -0.4730 0.0319 C.3 1 UNL111111 -0.3013 9 C -2.9173 0.5186 -0.1025 C.3 1 UNL111111 -0.1145 10 C -5.4176 0.2892 -0.0628 C.3 1 UNL111111 -0.1152 11 C -0.4733 0.7034 -0.1088 C.3 1 UNL111111 -0.1046 12 C 0.7977 -0.1512 -0.0138 C.3 1 UNL111111 -0.3144 13 C -7.8424 0.0161 0.0160 C.3 1 UNL111111 -0.2755 14 H -4.0055 -1.0175 0.9933 H 1 UNL111111 0.1563 15 H -4.0464 -1.2550 -0.7506 H 1 UNL111111 0.1578 16 H -2.9574 1.2579 0.7285 H 1 UNL111111 0.1408 17 H -3.0055 1.0898 -1.0525 H 1 UNL111111 0.1122 18 H -5.4982 0.7892 -1.0537 H 1 UNL111111 0.1412 19 H -5.4634 1.0828 0.7120 H 1 UNL111111 0.1101 20 H -0.5454 1.4327 0.7323 H 1 UNL111111 0.1508 21 H -0.4895 1.2898 -1.0542 H 1 UNL111111 0.1199 22 H -1.5856 -0.9619 -0.6813 H 1 UNL111111 0.2553 23 H 0.8645 -0.8339 -0.8833 H 1 UNL111111 0.1680 24 H 0.7534 -0.7908 0.8905 H 1 UNL111111 0.1850 25 H -6.4495 -1.2280 0.9019 H 1 UNL111111 0.2505 26 H -7.9853 0.7641 0.8087 H 1 UNL111111 0.1149 27 H -8.6418 -0.7396 0.0964 H 1 UNL111111 0.1457 28 H -7.9665 0.5151 -0.9607 H 1 UNL111111 0.1470 29 H 4.4335 -1.7679 1.4172 H 1 UNL111111 0.3208 30 H 5.9600 0.3116 -0.3564 H 1 UNL111111 0.3278 @BOND 1 5 2 2 2 21 11 1 3 18 10 1 4 17 9 1 5 28 13 1 6 23 12 1 7 15 8 1 8 22 6 1 9 30 4 1 10 11 12 1 11 11 6 1 12 11 20 1 13 9 6 1 14 9 8 1 15 9 16 1 16 2 4 1 17 2 1 1 18 2 3 1 19 10 8 1 20 10 7 1 21 10 19 1 22 12 1 1 23 12 24 1 24 13 7 1 25 13 27 1 26 13 26 1 27 8 14 1 28 7 25 1 29 3 29 1