@MOLECULE diethyl [(4-benzyl-1-piperazinyl)methyl]phosphonate 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 P 3.0686 -0.3399 0.5195 P.3 1 UNL1111111111 0.1710 2 O 4.4094 -1.1591 0.1763 O.3 1 UNL1111111111 -0.2887 3 O 3.2290 1.0884 -0.1949 O.3 1 UNL1111111111 -0.2881 4 O 2.9355 -0.4078 1.9807 O.2 1 UNL1111111111 -0.2875 5 N 0.4185 -0.3306 -0.3704 N.3 1 UNL1111111111 -0.3594 6 N -1.9693 0.8220 -0.0984 N.3 1 UNL1111111111 -0.3915 7 C -0.1967 -0.4861 0.9737 C.3 1 UNL1111111111 -0.0992 8 C -0.5512 -0.7619 -1.4109 C.3 1 UNL1111111111 -0.1319 9 C -1.7268 -0.2033 0.9334 C.3 1 UNL1111111111 -0.1303 10 C -1.7300 0.2533 -1.4421 C.3 1 UNL1111111111 -0.1144 11 C 1.7087 -1.0315 -0.5658 C.3 1 UNL1111111111 -0.0505 12 C -3.2700 1.5021 0.0218 C.3 1 UNL1111111111 -0.1335 13 C -4.4784 0.6057 0.0409 C.ar 1 UNL1111111111 -0.0394 14 C -5.1780 0.3509 -1.1387 C.ar 1 UNL1111111111 -0.1718 15 C -4.8908 0.0239 1.2416 C.ar 1 UNL1111111111 -0.1683 16 C 5.1525 -1.0477 -1.0545 C.3 1 UNL1111111111 -0.0023 17 C 3.6816 2.2506 0.5377 C.3 1 UNL1111111111 0.0159 18 C -6.2813 -0.5005 -1.1195 C.ar 1 UNL1111111111 -0.1394 19 C -5.9872 -0.8331 1.2547 C.ar 1 UNL1111111111 -0.1388 20 C -6.6835 -1.0940 0.0750 C.ar 1 UNL1111111111 -0.1572 21 C 6.4719 -1.7036 -0.6386 C.3 1 UNL1111111111 -0.4625 22 C 3.2767 3.3589 -0.4365 C.3 1 UNL1111111111 -0.4679 23 H 0.2747 0.2861 1.6310 H 1 UNL1111111111 0.1698 24 H -0.0273 -1.4816 1.4349 H 1 UNL1111111111 0.1184 25 H -0.9410 -1.7881 -1.2445 H 1 UNL1111111111 0.1108 26 H -0.0623 -0.7639 -2.4063 H 1 UNL1111111111 0.1313 27 H -2.0421 0.1909 1.9242 H 1 UNL1111111111 0.1367 28 H -2.2970 -1.1403 0.7638 H 1 UNL1111111111 0.1138 29 H -2.6247 -0.2496 -1.8652 H 1 UNL1111111111 0.1098 30 H -1.4683 1.1046 -2.1079 H 1 UNL1111111111 0.1463 31 H 2.0247 -0.8639 -1.6430 H 1 UNL1111111111 0.1734 32 H 1.6608 -2.1449 -0.3733 H 1 UNL1111111111 0.1570 33 H -3.3364 2.2414 -0.8111 H 1 UNL1111111111 0.1502 34 H -3.2262 2.1163 0.9547 H 1 UNL1111111111 0.1561 35 H -4.8757 0.8296 -2.0685 H 1 UNL1111111111 0.1509 36 H -4.3640 0.2458 2.1689 H 1 UNL1111111111 0.1534 37 H 5.3111 -0.0047 -1.3923 H 1 UNL1111111111 0.1255 38 H 4.6507 -1.6250 -1.8532 H 1 UNL1111111111 0.1073 39 H 4.7777 2.2082 0.6837 H 1 UNL1111111111 0.1158 40 H 3.1819 2.3787 1.5212 H 1 UNL1111111111 0.1347 41 H -6.8245 -0.7055 -2.0404 H 1 UNL1111111111 0.1487 42 H -6.3009 -1.2994 2.1868 H 1 UNL1111111111 0.1501 43 H -7.5415 -1.7622 0.0842 H 1 UNL1111111111 0.1497 44 H 7.1440 -1.8180 -1.4929 H 1 UNL1111111111 0.1430 45 H 6.9838 -1.1065 0.1308 H 1 UNL1111111111 0.1591 46 H 6.2936 -2.6956 -0.1998 H 1 UNL1111111111 0.1602 47 H 3.6003 4.3402 -0.0735 H 1 UNL1111111111 0.1440 48 H 3.7144 3.1946 -1.4274 H 1 UNL1111111111 0.1499 49 H 2.1850 3.3790 -0.5715 H 1 UNL1111111111 0.1695 @BOND 1 1 2 1 2 1 3 1 3 1 4 2 4 1 11 1 5 2 16 1 6 3 17 1 7 5 7 1 8 5 8 1 9 5 11 1 10 6 9 1 11 6 10 1 12 6 12 1 13 7 9 1 14 7 23 1 15 7 24 1 16 8 10 1 17 8 25 1 18 8 26 1 19 9 27 1 20 9 28 1 21 10 29 1 22 10 30 1 23 11 31 1 24 11 32 1 25 12 13 1 26 12 33 1 27 12 34 1 28 13 14 ar 29 13 15 ar 30 14 18 ar 31 14 35 1 32 15 19 ar 33 15 36 1 34 16 21 1 35 16 37 1 36 16 38 1 37 17 22 1 38 17 39 1 39 17 40 1 40 18 20 ar 41 18 41 1 42 19 20 ar 43 19 42 1 44 20 43 1 45 21 44 1 46 21 45 1 47 21 46 1 48 22 47 1 49 22 48 1 50 22 49 1