@MOLECULE {1-hydroxy-3-[methyl(3-phenoxypropyl)amino]-1,1-propanediyl}bis(phosphonic acid) 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 P -2.7638 0.4082 1.3098 P.3 1 UNL11111111111 0.2788 2 P -1.5134 -0.5693 -1.7658 P.3 1 UNL11111111111 0.2683 3 O -1.2404 -1.4949 0.6272 O.3 1 UNL11111111111 -0.4758 4 O -4.0614 -0.0959 0.5048 O.3 1 UNL11111111111 -0.4298 5 O -2.7388 1.9802 1.0112 O.3 1 UNL11111111111 -0.3880 6 O -1.7193 0.9333 -2.2924 O.3 1 UNL11111111111 -0.4204 7 O -2.8945 -1.3070 -2.0674 O.3 1 UNL11111111111 -0.3342 8 O -2.7536 0.0325 2.7222 O.2 1 UNL11111111111 -0.3365 9 O -0.4117 -1.3088 -2.3767 O.2 1 UNL11111111111 -0.2871 10 O 3.8916 -0.2984 -0.2154 O.3 1 UNL11111111111 -0.3678 11 N 1.4682 2.5517 0.1311 N.3 1 UNL11111111111 -0.4252 12 C -1.3195 -0.1701 0.1475 C.3 1 UNL11111111111 0.4325 13 C 0.0048 0.6212 0.4388 C.3 1 UNL11111111111 -0.3073 14 C 0.0585 2.0923 -0.0261 C.3 1 UNL11111111111 -0.0904 15 C 2.3074 2.1278 -1.0168 C.3 1 UNL11111111111 -0.1173 16 C 3.7817 2.0241 -0.5789 C.3 1 UNL11111111111 -0.3052 17 C 1.5138 4.0193 0.3081 C.3 1 UNL11111111111 -0.2802 18 C 3.9631 0.9456 0.4906 C.3 1 UNL11111111111 -0.0332 19 C 3.0312 -1.2342 0.2632 C.ar 1 UNL11111111111 0.2554 20 C 2.7793 -1.4417 1.6207 C.ar 1 UNL11111111111 -0.3016 21 C 2.4470 -2.0392 -0.7256 C.ar 1 UNL11111111111 -0.2414 22 C 1.9270 -2.4815 1.9902 C.ar 1 UNL11111111111 -0.0921 23 C 1.5981 -3.0659 -0.3341 C.ar 1 UNL11111111111 -0.0577 24 C 1.3367 -3.2889 1.0216 C.ar 1 UNL11111111111 -0.2430 25 H 0.8651 0.0646 -0.0121 H 1 UNL11111111111 0.1738 26 H 0.2410 0.5956 1.5294 H 1 UNL11111111111 0.1676 27 H -0.3142 2.2291 -1.0638 H 1 UNL11111111111 0.1451 28 H -0.5961 2.7234 0.6162 H 1 UNL11111111111 0.1538 29 H 1.9732 1.1233 -1.3703 H 1 UNL11111111111 0.1623 30 H 2.2180 2.8084 -1.8870 H 1 UNL11111111111 0.1127 31 H 4.4078 1.7847 -1.4614 H 1 UNL11111111111 0.1529 32 H 4.1438 2.9926 -0.1898 H 1 UNL11111111111 0.1444 33 H -0.3394 -1.6986 1.0191 H 1 UNL11111111111 0.3203 34 H 2.5594 4.3418 0.4339 H 1 UNL11111111111 0.1384 35 H 1.0731 4.5916 -0.5216 H 1 UNL11111111111 0.1165 36 H 0.9813 4.2829 1.2375 H 1 UNL11111111111 0.1453 37 H 3.1906 1.0348 1.2764 H 1 UNL11111111111 0.1539 38 H 4.9691 0.9615 0.9430 H 1 UNL11111111111 0.1264 39 H -4.7774 -0.4114 1.1486 H 1 UNL11111111111 0.3234 40 H -3.4084 2.4620 1.6034 H 1 UNL11111111111 0.3120 41 H -1.7844 0.9353 -3.3059 H 1 UNL11111111111 0.3195 42 H -3.6273 -0.9424 -1.4439 H 1 UNL11111111111 0.3285 43 H 3.2488 -0.8222 2.3763 H 1 UNL11111111111 0.1610 44 H 2.6507 -1.8433 -1.7760 H 1 UNL11111111111 0.1764 45 H 1.7209 -2.6570 3.0455 H 1 UNL11111111111 0.1468 46 H 1.1134 -3.6856 -1.0910 H 1 UNL11111111111 0.1618 47 H 0.6726 -4.0975 1.3154 H 1 UNL11111111111 0.1565 @BOND 1 1 4 1 2 1 5 1 3 1 8 2 4 1 12 1 5 2 6 1 6 2 7 1 7 2 9 2 8 2 12 1 9 3 12 1 10 3 33 1 11 4 39 1 12 5 40 1 13 6 41 1 14 7 42 1 15 10 18 1 16 10 19 1 17 11 14 1 18 11 15 1 19 11 17 1 20 12 13 1 21 13 14 1 22 13 25 1 23 13 26 1 24 14 27 1 25 14 28 1 26 15 16 1 27 15 29 1 28 15 30 1 29 16 18 1 30 16 31 1 31 16 32 1 32 17 34 1 33 17 35 1 34 17 36 1 35 18 37 1 36 18 38 1 37 19 20 ar 38 19 21 ar 39 20 22 ar 40 20 43 1 41 21 23 ar 42 21 44 1 43 22 24 ar 44 22 45 1 45 23 24 ar 46 23 46 1 47 24 47 1