@MOLECULE dimethyl d-cystinate 32 31 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.5292 -2.3934 -0.6303 S.3 1 UNL11 0.0708 2 S -1.2239 -2.0971 0.2408 S.3 1 UNL11 -0.0214 3 O 2.3505 1.6974 -0.0316 O.3 1 UNL11 -0.4255 4 O -1.3647 1.1704 -0.9312 O.3 1 UNL11 -0.4180 5 O 4.0718 0.8508 1.1419 O.2 1 UNL11 -0.4994 6 O -2.3051 1.4337 1.0978 O.2 1 UNL11 -0.4988 7 N 2.8768 -1.6608 1.2908 N.3 1 UNL11 -0.6112 8 N -4.1433 -0.6315 0.6271 N.3 1 UNL11 -0.6188 9 C 2.1020 -0.5378 0.7590 C.3 1 UNL11 0.0095 10 C -3.2025 -0.2405 -0.4300 C.3 1 UNL11 -0.0006 11 C 1.5279 -0.8635 -0.6207 C.3 1 UNL11 -0.3766 12 C -2.4415 -1.4523 -0.9687 C.3 1 UNL11 -0.3639 13 C 2.9778 0.7194 0.6620 C.2 1 UNL11 0.5285 14 C -2.2526 0.8616 0.0421 C.2 1 UNL11 0.5419 15 C 3.0429 2.9398 -0.1364 C.3 1 UNL11 -0.1666 16 C -0.4977 2.2694 -0.6597 C.3 1 UNL11 -0.1712 17 H 1.2721 -0.3110 1.4925 H 1 UNL11 0.1870 18 H -3.8192 0.1950 -1.2746 H 1 UNL11 0.1752 19 H 2.3346 -1.0300 -1.3632 H 1 UNL11 0.1742 20 H 0.9379 -0.0053 -1.0058 H 1 UNL11 0.1856 21 H -3.1628 -2.2711 -1.1856 H 1 UNL11 0.1890 22 H -1.9630 -1.1979 -1.9332 H 1 UNL11 0.1749 23 H 3.2840 -1.4525 2.1918 H 1 UNL11 0.2690 24 H 3.6046 -1.9679 0.6653 H 1 UNL11 0.2592 25 H -4.6589 0.1625 0.9837 H 1 UNL11 0.2648 26 H -3.6909 -1.0873 1.4067 H 1 UNL11 0.2667 27 H 4.0650 2.7857 -0.4999 H 1 UNL11 0.1460 28 H 3.0571 3.4311 0.8428 H 1 UNL11 0.1439 29 H 2.4435 3.5008 -0.8615 H 1 UNL11 0.1444 30 H -1.0755 3.1988 -0.6646 H 1 UNL11 0.1386 31 H 0.2175 2.2350 -1.4902 H 1 UNL11 0.1490 32 H 0.0081 2.1378 0.3050 H 1 UNL11 0.1538 @BOND 1 1 2 1 2 1 11 1 3 2 12 1 4 3 13 1 5 3 15 1 6 4 14 1 7 4 16 1 8 5 13 2 9 6 14 2 10 7 9 1 11 7 23 1 12 7 24 1 13 8 10 1 14 8 25 1 15 8 26 1 16 9 11 1 17 9 13 1 18 9 17 1 19 10 12 1 20 10 14 1 21 10 18 1 22 11 19 1 23 11 20 1 24 12 21 1 25 12 22 1 26 15 27 1 27 15 28 1 28 15 29 1 29 16 30 1 30 16 31 1 31 16 32 1