@MOLECULE 3-({2-[bis(2-chloroethyl)amino]-2-oxido-1,3,2-oxazaphosphinan-4-yl}sulfanyl)propanoic acid 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.4997 -1.7119 0.6273 Cl 1 UNL1111111111 -0.2122 2 CL 4.2256 -0.7646 1.3315 Cl 1 UNL1111111111 -0.1970 3 S -2.1634 2.4771 0.3248 S.3 1 UNL1111111111 -0.0485 4 P 1.3656 0.6038 -1.1797 P.3 1 UNL1111111111 0.2234 5 O 2.3055 1.6042 -0.3285 O.3 1 UNL1111111111 -0.2652 6 O 1.6939 0.7354 -2.5970 O.2 1 UNL1111111111 -0.1862 7 O -4.3212 -1.7978 -1.2392 O.3 1 UNL1111111111 -0.5638 8 O -4.7826 -1.2965 0.8844 O.2 1 UNL1111111111 -0.5064 9 N 1.7050 -0.9966 -0.6282 N.3 1 UNL1111111111 -0.4029 10 N -0.2295 1.0063 -0.7684 N.3 1 UNL1111111111 -0.3904 11 C -0.5298 1.5873 0.5671 C.3 1 UNL1111111111 0.0652 12 C 0.4916 2.6480 1.0104 C.3 1 UNL1111111111 -0.3375 13 C 1.9117 2.0641 0.9710 C.3 1 UNL1111111111 -0.0313 14 C 1.2146 -1.5375 0.6774 C.3 1 UNL1111111111 -0.0919 15 C 3.0314 -1.5877 -0.9860 C.3 1 UNL1111111111 -0.0630 16 C -3.3886 1.1653 0.6773 C.3 1 UNL1111111111 -0.3167 17 C 0.0755 -2.5209 0.3814 C.3 1 UNL1111111111 -0.1724 18 C 4.2950 -0.9051 -0.4475 C.3 1 UNL1111111111 -0.1942 19 C -3.7559 0.3726 -0.5710 C.3 1 UNL1111111111 -0.3360 20 C -4.3412 -0.9489 -0.1781 C.2 1 UNL1111111111 0.6432 21 H -0.6724 0.8271 1.3768 H 1 UNL1111111111 0.1323 22 H 0.4537 3.5438 0.3483 H 1 UNL1111111111 0.1804 23 H 0.2582 3.0127 2.0287 H 1 UNL1111111111 0.1569 24 H -0.9076 0.2377 -1.0194 H 1 UNL1111111111 0.2989 25 H 2.0635 1.2787 1.7369 H 1 UNL1111111111 0.1213 26 H 2.6797 2.8556 1.1269 H 1 UNL1111111111 0.1438 27 H 2.0230 -2.0953 1.2106 H 1 UNL1111111111 0.1532 28 H 0.9003 -0.7672 1.4165 H 1 UNL1111111111 0.1461 29 H 3.0156 -2.6575 -0.6633 H 1 UNL1111111111 0.1360 30 H 3.1130 -1.6254 -2.1085 H 1 UNL1111111111 0.1698 31 H -3.0334 0.5024 1.4913 H 1 UNL1111111111 0.1747 32 H -4.2854 1.6661 1.0986 H 1 UNL1111111111 0.1745 33 H 0.0797 -2.8723 -0.6666 H 1 UNL1111111111 0.1775 34 H 0.0742 -3.3834 1.0643 H 1 UNL1111111111 0.1519 35 H 4.4408 0.1242 -0.8236 H 1 UNL1111111111 0.1796 36 H 5.1986 -1.4934 -0.6710 H 1 UNL1111111111 0.1479 37 H -2.8904 0.2100 -1.2562 H 1 UNL1111111111 0.1954 38 H -4.4877 0.9285 -1.2022 H 1 UNL1111111111 0.1874 39 H -4.6702 -2.6994 -1.0354 H 1 UNL1111111111 0.3563 @BOND 1 1 17 1 2 2 18 1 3 3 11 1 4 3 16 1 5 4 5 1 6 4 6 2 7 4 9 1 8 4 10 1 9 5 13 1 10 7 20 1 11 7 39 1 12 8 20 2 13 9 14 1 14 9 15 1 15 10 11 1 16 10 24 1 17 11 12 1 18 11 21 1 19 12 13 1 20 12 22 1 21 12 23 1 22 13 25 1 23 13 26 1 24 14 17 1 25 14 27 1 26 14 28 1 27 15 18 1 28 15 29 1 29 15 30 1 30 16 19 1 31 16 31 1 32 16 32 1 33 17 33 1 34 17 34 1 35 18 35 1 36 18 36 1 37 19 20 1 38 19 37 1 39 19 38 1