@MOLECULE n-(methoxycarbonyl)-3-(triphenylphosphonio)-l-alanine 29 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 0.0482 -0.5748 0.1125 P.3 1 UNL1 0.1056 2 O -0.8352 3.2598 -0.8780 O.2 1 UNL1 -0.3256 3 O -2.1402 3.1391 1.0559 O.2 1 UNL1 -0.3249 4 O 3.9531 -0.2318 -0.4729 O.2 1 UNL1 -0.3238 5 O 4.6875 3.6591 0.3862 O.2 1 UNL1 -0.1982 6 N 2.4670 2.8270 0.6690 N.2 1 UNL1 -0.4384 7 C 0.9883 0.7946 0.3192 C.1 1 UNL1 -0.1496 8 C -0.9881 -0.2392 -1.3672 C.ar 1 UNL1 -0.0133 9 C 0.8629 -1.9789 0.1366 C.3 1 UNL1 -0.2026 10 C -1.3851 -0.5054 1.2158 C.ar 1 UNL1 -0.0051 11 C 1.7430 1.7459 0.4684 C.1 1 UNL1 0.3241 12 C -0.7588 -0.1203 -2.6971 C.ar 1 UNL1 0.0209 13 C 0.2544 -3.2343 0.3059 C.2 1 UNL1 0.0754 14 C -1.5674 -0.6246 2.5551 C.ar 1 UNL1 0.0376 15 C -2.4312 -0.1458 -0.9859 C.ar 1 UNL1 0.0641 16 C 2.4138 -2.1514 -0.1118 C.2 1 UNL1 -0.0759 17 C -2.6504 -0.2787 0.4396 C.ar 1 UNL1 0.1088 18 C -1.4864 3.1996 0.0899 C.1 1 UNL1 0.6503 19 C -1.6298 0.0654 -3.6268 C.ar 1 UNL1 -0.0089 20 C 0.7308 -4.3962 0.2948 C.2 1 UNL1 -0.1357 21 C -2.6825 -0.5635 3.1949 C.ar 1 UNL1 -0.0191 22 C -3.2594 0.0458 -2.0487 C.ar 1 UNL1 -0.0964 23 C 2.7884 -3.5106 -0.0816 C.2 1 UNL1 -0.1459 24 C -3.7568 -0.2379 1.2291 C.ar 1 UNL1 -0.0994 25 C -2.9106 0.1441 -3.2823 C.ar 1 UNL1 0.0466 26 C 2.0800 -4.5264 0.1004 C.2 1 UNL1 0.0522 27 C -3.8023 -0.3649 2.5075 C.ar 1 UNL1 0.0691 28 C 3.6638 3.1177 0.4645 C.1 1 UNL1 0.6083 29 C 3.2362 -1.1387 -0.3118 C.1 1 UNL1 0.3997 @BOND 1 19 25 ar 2 19 12 ar 3 25 22 ar 4 12 8 ar 5 22 15 ar 6 8 15 ar 7 8 1 1 8 15 17 1 9 2 18 2 10 4 29 2 11 29 16 2 12 16 23 1 13 16 9 1 14 23 26 2 15 18 3 2 16 26 20 1 17 1 9 1 18 1 7 1 19 1 10 1 20 9 13 1 21 20 13 2 22 7 11 3 23 5 28 2 24 17 10 ar 25 17 24 ar 26 28 6 2 27 11 6 1 28 10 14 ar 29 24 27 ar 30 27 21 ar 31 14 21 ar