@MOLECULE 3-(4-oxo-4,5-dihydro-1,2,5-thiadiazol-3-yl)-d-alanine 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.4905 -1.3686 -0.0355 N.ar 1 UNL1111111111 -0.4238 2 N 1.2664 1.0607 -1.2444 N.3 1 UNL1111111111 -0.6451 3 CA 1.5668 -0.1876 -0.5233 C.3 1 UNL1111111111 0.0110 4 C 3.0222 -0.2141 -0.0685 C.2 1 UNL1111111111 0.5892 5 O -0.9606 2.0455 0.7649 O.3 1 UNL1111111111 -0.4381 6 C -1.5644 0.9104 0.3878 C.ar 1 UNL1111111111 0.3090 7 N -2.8220 0.8091 0.0465 N.ar 1 UNL1111111111 -0.5580 8 S -3.1259 -0.8588 -0.3638 S.2 1 UNL1111111111 0.5548 9 C -0.7713 -0.3528 0.3454 C.ar 1 UNL1111111111 0.1023 10 C 0.6656 -0.4058 0.7121 C.3 1 UNL1111111111 -0.2895 11 O 3.8677 0.6175 -0.2627 O.2 1 UNL1111111111 -0.4970 12 OXT 3.2898 -1.3530 0.6127 O.3 1 UNL1111111111 -0.5549 13 H1 0.6687 1.6722 -0.7117 H 1 UNL1111111111 0.2679 14 H2 2.1033 1.5586 -1.5205 H 1 UNL1111111111 0.2804 15 HA 1.4079 -1.0328 -1.2585 H 1 UNL1111111111 0.1947 16 H -1.6009 2.8189 0.7525 H 1 UNL1111111111 0.3601 17 H 0.9111 -1.3977 1.1697 H 1 UNL1111111111 0.1999 18 H 0.8877 0.3500 1.4989 H 1 UNL1111111111 0.1775 19 HXT 4.2309 -1.4291 0.9121 H 1 UNL1111111111 0.3594 @BOND 1 1 8 ar 2 1 9 ar 3 2 3 1 4 2 13 1 5 2 14 1 6 3 4 1 7 3 10 1 8 3 15 1 9 4 11 2 10 4 12 1 11 5 6 1 12 5 16 1 13 6 7 ar 14 6 9 ar 15 7 8 ar 16 9 10 1 17 10 17 1 18 10 18 1 19 12 19 1