@MOLECULE (2s)-3-(1h-indol-3-yl)-2-({(2s)-4-methyl-2-[({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}phosphinato)amino]pentanoyl}amino)propanoate (non-preferred name) 37 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.7297 0.0916 -1.6748 P.3 1 UNL1 0.3450 2 O 5.7488 1.6556 0.3218 O.2 1 UNL1 -0.2173 3 O 3.9049 1.0372 -0.6266 O.3 1 UNL1 -0.1724 4 O 7.1357 -1.8722 -0.4070 O.2 1 UNL1 -0.2090 5 O 8.5833 -0.1985 1.4794 O.2 1 UNL1 -0.3538 6 O 4.4563 -1.4788 1.0850 O.2 1 UNL1 -0.2216 7 O 3.2355 -1.2569 -1.4771 O.3 1 UNL1 -0.2995 8 O 2.8646 1.0406 -2.7589 O.2 1 UNL1 -0.1819 9 O -1.0812 1.2666 1.2982 O.2 1 UNL1 -0.3447 10 O -5.2613 2.5942 0.4052 O.2 1 UNL1 -0.3583 11 O -3.6174 4.1731 -0.1053 O.2 1 UNL1 -0.3087 12 N 1.4453 0.4538 -0.6601 N.2 1 UNL1 -0.2357 13 N -1.8445 0.0339 -0.6387 N.am 1 UNL1 -0.4605 14 N -7.7312 1.0179 0.3708 N.3 1 UNL1 -0.1872 15 C 6.6838 -1.0070 0.2722 C.2 1 UNL1 0.2526 16 C 7.5083 0.0505 1.0054 C.2 1 UNL1 0.3707 17 C 5.2094 -0.7489 0.5229 C.2 1 UNL1 0.2732 18 C 6.8296 1.3356 1.1315 C.2 1 UNL1 -0.5164 19 C 4.8481 0.6530 0.0543 C.3 1 UNL1 0.4334 20 C 7.2824 2.3128 1.9433 C.2 1 UNL1 0.6075 21 C 0.2236 0.2379 -0.7792 C.2 1 UNL1 0.0415 22 C -0.9667 -0.3838 -1.6037 C.3 1 UNL1 0.3607 23 C 1.7517 -2.8705 0.7164 C.1 2 UNL2 -0.9952 24 C -0.8731 0.6987 0.2954 C.2 1 UNL1 0.4794 25 C -3.1683 -0.1221 -0.5251 C.1 1 UNL1 0.0776 26 C 2.7296 -3.0624 -0.1109 C.3 2 UNL2 0.5575 27 C 0.8120 -2.6498 1.5530 C.1 2 UNL2 0.4270 28 C -4.3718 -0.2633 -0.4160 C.1 1 UNL1 -0.0554 29 C -5.7459 -0.4436 -0.3135 C.3 1 UNL1 -0.0692 30 C -6.4110 -1.6709 -0.5058 C.2 1 UNL1 0.0047 31 C -4.4376 3.3851 0.1526 C.1 1 UNL1 0.6680 32 C -8.7170 0.4144 1.0475 C.3 1 UNL1 0.0386 33 C -6.6564 0.4634 0.1262 C.3 1 UNL1 0.3102 34 C -7.3170 -2.4880 -0.3185 C.2 1 UNL1 -0.0609 35 C -9.4421 -0.5877 1.1462 C.2 1 UNL1 0.0065 36 C -8.5437 -2.6195 0.2398 C.3 1 UNL1 0.0326 37 C -9.3783 -1.8982 0.8133 C.2 1 UNL1 -0.0390 @BOND 1 8 1 2 2 1 7 1 3 1 12 1 4 1 3 1 5 22 21 1 6 22 13 1 7 21 12 2 8 21 24 1 9 13 25 1 10 13 24 am 11 3 19 1 12 25 28 3 13 30 34 2 14 30 29 1 15 28 29 1 16 4 15 2 17 34 36 1 18 29 33 1 19 26 23 1 20 11 31 2 21 19 2 1 22 19 17 1 23 33 14 1 24 31 10 2 25 36 37 1 26 15 17 1 27 15 16 1 28 24 9 2 29 2 18 1 30 14 32 1 31 17 6 2 32 23 27 3 33 37 35 2 34 16 18 1 35 16 5 2 36 32 35 1 37 18 20 2