@MOLECULE sophamide 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.2071 1.8719 0.0828 S.3 1 UNL11 0.2433 2 S 3.6338 -0.6457 0.1304 S.2 1 UNL11 -0.1486 3 P 1.8050 -0.1629 0.0445 P.3 1 UNL11 0.1580 4 O 0.7797 -0.5893 1.2128 O.3 1 UNL11 -0.3335 5 O 0.8981 -0.5371 -1.2495 O.3 1 UNL11 -0.4059 6 O -3.6230 -1.1115 -0.4616 O.3 1 UNL11 -0.4206 7 O -2.2894 2.3409 0.5613 O.2 1 UNL11 -0.5363 8 N -1.8454 0.2304 -0.1189 N.am 1 UNL11 -0.5870 9 C -0.3766 2.0541 -0.8485 C.3 1 UNL11 -0.4063 10 C -1.5784 1.5790 -0.0636 C.2 1 UNL11 0.5982 11 C -3.0011 -0.3289 0.5606 C.3 1 UNL11 0.1569 12 C 0.6966 -1.8704 1.8451 C.3 1 UNL11 -0.1714 13 C 0.9209 -1.7711 -1.9684 C.3 1 UNL11 -0.1479 14 C -4.8277 -1.7076 -0.0291 C.3 1 UNL11 -0.1888 15 H -0.4718 3.1527 -1.0182 H 1 UNL11 0.2039 16 H -0.3400 1.5945 -1.8571 H 1 UNL11 0.1931 17 H -1.2449 -0.4163 -0.6130 H 1 UNL11 0.3362 18 H -2.6900 -1.0072 1.3847 H 1 UNL11 0.1163 19 H -3.6941 0.4642 0.9188 H 1 UNL11 0.1518 20 H 0.2269 -2.6146 1.1902 H 1 UNL11 0.1213 21 H 0.0220 -1.6269 2.6853 H 1 UNL11 0.1429 22 H 1.6468 -2.2494 2.2420 H 1 UNL11 0.1339 23 H 1.9013 -2.0061 -2.4039 H 1 UNL11 0.1354 24 H 0.2045 -1.5392 -2.7770 H 1 UNL11 0.1407 25 H 0.5505 -2.6134 -1.3709 H 1 UNL11 0.1229 26 H -5.5767 -0.9452 0.2091 H 1 UNL11 0.1260 27 H -4.6575 -2.3727 0.8228 H 1 UNL11 0.1186 28 H -5.1457 -2.2875 -0.9056 H 1 UNL11 0.1470 @BOND 1 1 3 1 2 1 9 1 3 2 3 2 4 3 4 1 5 3 5 1 6 4 12 1 7 5 13 1 8 6 11 1 9 6 14 1 10 7 10 2 11 8 10 am 12 8 11 1 13 8 17 1 14 9 10 1 15 9 15 1 16 9 16 1 17 11 18 1 18 11 19 1 19 12 20 1 20 12 21 1 21 12 22 1 22 13 23 1 23 13 24 1 24 13 25 1 25 14 26 1 26 14 27 1 27 14 28 1