@MOLECULE (e)-n-({2-[(3s)-3-amino-3-carboxypropoxy]hydrazino}methylene)-l-aspartic acid 36 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O1 1.5810 1.7878 -0.8534 O.3 1 <1> -0.2968 2 O2 4.7330 1.0453 0.6641 O.3 1 <1> -0.5474 3 O3 4.0148 -0.4493 2.1564 O.2 1 <1> -0.5173 4 O4 -5.0698 -0.1656 0.9808 O.3 1 <1> -0.5943 5 O5 -1.4258 -3.3427 -0.2968 O.3 1 <1> -0.5663 6 O6 -3.7442 1.4369 1.7772 O.2 1 <1> -0.4310 7 O7 -1.2487 -1.6210 -1.7054 O.2 1 <1> -0.5200 8 N1 3.0448 -2.1750 0.1450 N.3 1 <1> -0.6311 9 N2 -1.7955 0.8183 -0.1546 N.2 1 <1> -0.4407 10 N3 0.4617 2.3642 -0.2170 N.4 1 <1> -0.1248 11 N4 -0.5386 2.5355 -1.2039 N.pl3 1 <1> -0.4077 12 C1 2.9129 -0.0871 -1.1926 C.3 1 <1> -0.3181 13 C2 3.7491 -0.9356 -0.2237 C.3 1 <1> 0.0052 14 C3 1.5877 0.3731 -0.5887 C.3 1 <1> -0.0626 15 C4 -2.9886 -0.0114 -0.0874 C.3 1 <1> 0.0069 16 C5 4.1406 -0.1220 1.0058 C.2 1 <1> 0.5868 17 C6 -2.5485 -1.4189 0.3619 C.3 1 <1> -0.3437 18 C7 -3.9039 0.5467 0.9985 C.2 1 <1> 0.6034 19 C8 -1.6859 -2.0637 -0.6759 C.2 1 <1> 0.6636 20 C9 -1.6212 1.6215 -1.1501 C.2 1 <1> 0.2454 21 H1 3.5069 0.8002 -1.5142 H 1 <1> 0.1836 22 H2 2.7279 -0.6680 -2.1205 H 1 <1> 0.1690 23 H3 4.7057 -1.2517 -0.7381 H 1 <1> 0.1803 24 H4 0.7071 -0.0896 -1.0677 H 1 <1> 0.1479 25 H5 1.5115 0.2193 0.5034 H 1 <1> 0.1491 26 H6 -3.5690 -0.0798 -1.0481 H 1 <1> 0.1598 27 H7 -1.9774 -1.3477 1.3230 H 1 <1> 0.2116 28 H8 -3.4327 -2.0565 0.5904 H 1 <1> 0.1987 29 H9 2.0482 -2.0463 0.2147 H 1 <1> 0.2576 30 H10 3.3863 -2.5611 1.0156 H 1 <1> 0.2708 31 H11 0.8301 3.3080 0.0018 H 1 <1> 0.2613 32 H12 -2.3066 1.7708 -2.0071 H 1 <1> 0.1403 33 H13 -0.1602 2.6576 -2.1545 H 1 <1> 0.2848 34 H14 5.0008 1.5977 1.4409 H 1 <1> 0.3577 35 H15 -5.7297 0.1278 1.6522 H 1 <1> 0.3601 36 H16 -0.8700 -3.8492 -0.9377 H 1 <1> 0.3583 @BOND 1 33 11 1 2 22 12 1 3 32 20 1 4 7 19 2 5 21 12 1 6 11 20 1 7 11 10 1 8 12 14 1 9 12 13 1 10 20 9 2 11 24 14 1 12 26 15 1 13 36 5 1 14 1 14 1 15 1 10 1 16 23 13 1 17 19 5 1 18 19 17 1 19 14 25 1 20 13 8 1 21 13 16 1 22 10 31 1 23 9 15 1 24 15 17 1 25 15 18 1 26 8 29 1 27 8 30 1 28 17 28 1 29 17 27 1 30 2 16 1 31 2 34 1 32 4 18 1 33 4 35 1 34 18 6 2 35 16 3 2