@MOLECULE (2s)-1-[(1s)-2-benzoyl-1-benzyl-1-methylhydraziniumyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenyl-2-butanolate 37 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.7153 1.5318 -2.0425 O.2 1 UNL1 -0.3279 2 O 1.2047 -1.8276 1.4616 O.2 1 UNL1 -0.3481 3 O 3.2241 1.7094 0.2955 O.2 1 UNL1 -0.3442 4 O -1.2052 -3.5916 0.5778 O.2 1 UNL1 -0.3035 5 N 1.1393 1.8908 -0.2816 N.pl3 1 UNL1 -0.2522 6 N 1.6253 0.7548 -0.9348 N.2 1 UNL1 -0.2357 7 N -0.5428 -0.5821 0.5452 N.2 1 UNL1 -0.4135 8 C -0.1998 2.1755 -0.3681 C.3 1 UNL1 0.0030 9 C -1.1595 1.2359 -1.0196 C.2 1 UNL1 0.4715 10 C 0.9598 5.6016 0.8999 C.3 1 UNL1 0.4029 11 C -1.4793 -0.0558 -0.3172 C.2 1 UNL1 0.1099 12 C 2.1709 2.4927 0.4921 C.3 1 UNL1 0.4493 13 C -2.6439 -0.6507 -0.4960 C.1 1 UNL1 -0.0053 14 C -0.4742 5.7750 1.0046 C.ar 1 UNL1 -0.3126 15 C -3.7769 -1.3662 -0.6012 C.2 1 UNL1 -0.0119 16 C 2.8852 0.6398 -0.5670 C.2 1 UNL1 0.2613 17 C 0.0486 4.5277 0.5240 C.ar 1 UNL1 -0.2804 18 C -1.8214 5.9008 1.0864 C.ar 1 UNL1 0.1193 19 C 0.2569 -1.5173 0.5443 C.2 1 UNL1 0.3673 20 C 3.8729 -0.3500 -0.8276 C.ar 1 UNL1 -0.0369 21 C -4.0398 -2.3485 -1.5746 C.2 1 UNL1 0.0188 22 C -4.8850 -1.2407 0.2977 C.3 1 UNL1 0.0967 23 C -0.7077 3.4234 0.1227 C.ar 1 UNL1 0.0524 24 C -2.5451 4.8576 0.7048 C.ar 1 UNL1 -0.0586 25 C 0.7401 -4.1498 1.9495 C.2 1 UNL1 -0.8596 26 C -2.0602 3.7181 0.2639 C.ar 1 UNL1 0.0540 27 C -5.1547 -3.0501 -1.6254 C.2 1 UNL1 -0.0344 28 C -6.0230 -1.9656 0.2437 C.2 1 UNL1 -0.0647 29 C 5.1712 -0.3468 -0.3032 C.ar 1 UNL1 0.0491 30 C 3.6722 -1.4993 -1.6032 C.ar 1 UNL1 0.0578 31 C 1.5168 -2.9022 2.0561 C.2 1 UNL1 0.4211 32 C 1.2127 -5.1971 2.6214 C.3 1 UNL1 0.6164 33 C -0.4488 -4.2382 1.1835 C.2 1 UNL1 0.3388 34 C -6.1293 -2.8681 -0.7331 C.2 1 UNL1 0.0188 35 C 6.0670 -1.2967 -0.5088 C.ar 1 UNL1 -0.0434 36 C 4.5783 -2.4427 -1.7985 C.ar 1 UNL1 -0.0316 37 C 5.7962 -2.3675 -1.2578 C.ar 1 UNL1 0.0559 @BOND 1 1 9 2 2 36 30 ar 3 36 37 ar 4 27 21 2 5 27 34 1 6 30 20 ar 7 21 15 1 8 37 35 ar 9 9 8 1 10 9 11 1 11 6 16 2 12 6 5 1 13 20 16 1 14 20 29 ar 15 34 28 2 16 15 13 2 17 15 22 1 18 16 3 1 19 35 29 ar 20 13 11 2 21 8 5 1 22 8 23 1 23 11 7 1 24 5 12 1 25 23 26 ar 26 23 17 ar 27 28 22 1 28 26 24 ar 29 3 12 1 30 17 10 1 31 17 14 ar 32 19 7 2 33 19 2 1 34 4 33 2 35 24 18 ar 36 10 14 1 37 14 18 ar 38 33 25 1 39 2 31 1 40 25 31 2 41 25 32 1