@MOLECULE o-phosphono-n-(9-sulfanylnonanoyl)-l-threonine 49 48 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.7448 -1.8084 -1.0518 C.2 1 UNK111111111 0.6334 2 N -2.0904 -0.5557 0.1313 N.am 1 UNK111111111 -0.5952 3 O -3.7545 -3.1543 -1.1349 O.3 1 UNK111111111 -0.5360 4 P -5.1221 1.7603 -0.1481 P.3 1 UNK111111111 0.3442 5 C -0.8479 -1.0101 0.5522 C.2 0 UNK0 0.5912 6 O -0.7243 -2.1247 1.0126 O.2 0 UNK0 -0.5315 7 C 0.2878 -0.0339 0.3587 C.3 0 UNK0 -0.3613 8 C 1.6124 -0.8004 0.2787 C.3 0 UNK0 -0.2523 9 C 2.7904 0.1665 0.1226 C.3 0 UNK0 -0.2734 10 C 4.1149 -0.6063 0.0766 C.3 0 UNK0 -0.2680 11 C 5.3009 0.3582 -0.0483 C.3 0 UNK0 -0.2732 12 C 6.6269 -0.4127 -0.0306 C.3 0 UNK0 -0.2732 13 C 7.8158 0.5563 -0.1274 C.3 0 UNK0 -0.2672 14 C 9.1264 -0.2242 -0.0745 C.3 0 UNK0 -0.3030 15 S 10.5358 0.9548 -0.2063 S.3 0 UNK0 -0.2062 16 C -3.2763 -1.3704 0.3309 C.3 1 UNK1 -0.0445 17 C -4.4304 -0.5794 1.0540 C.3 1 UNK1 0.1730 18 C -4.2507 -0.6783 2.5704 C.3 1 UNK1 -0.4767 19 O -3.8726 2.5791 -0.7271 O.3 1 UNK1 -0.3492 20 O -6.1456 2.4907 0.5715 O.2 1 UNK1 -0.2309 21 O -5.6453 0.9697 -1.4029 O.3 1 UNK1 -0.2900 22 O -4.2206 0.7970 0.7789 O.3 1 UNK1 -0.3822 23 O -4.0724 -1.1345 -1.9995 O.2 1 UNK1 -0.5439 24 H -2.2559 0.4100 -0.1311 H 1 UNK1 0.3408 25 H -4.0228 -3.5069 -2.0221 H 1 UNK1 0.3577 26 H 0.1463 0.5811 -0.5526 H 0 UNK0 0.1671 27 H 0.3053 0.6776 1.2107 H 0 UNK0 0.1693 28 H 1.7400 -1.4268 1.1859 H 0 UNK0 0.1597 29 H 1.5860 -1.5181 -0.5645 H 0 UNK0 0.1497 30 H 2.6725 0.7686 -0.7976 H 0 UNK0 0.1370 31 H 2.8050 0.8883 0.9606 H 0 UNK0 0.1366 32 H 4.2237 -1.2249 0.9883 H 0 UNK0 0.1401 33 H 4.1119 -1.3154 -0.7717 H 0 UNK0 0.1391 34 H 5.2157 0.9468 -0.9808 H 0 UNK0 0.1380 35 H 5.2800 1.0938 0.7777 H 0 UNK0 0.1380 36 H 6.7014 -1.0141 0.8948 H 0 UNK0 0.1392 37 H 6.6554 -1.1351 -0.8678 H 0 UNK0 0.1391 38 H 7.7391 1.1438 -1.0647 H 0 UNK0 0.1506 39 H 7.7599 1.2954 0.6975 H 0 UNK0 0.1503 40 H 9.2040 -0.7914 0.8703 H 0 UNK0 0.1529 41 H 9.1769 -0.9571 -0.8994 H 0 UNK0 0.1530 42 H 11.5534 0.0877 -0.1459 H 0 UNK0 0.1568 43 H -3.0205 -2.2894 0.9427 H 1 UNK1 0.2115 44 H -5.4184 -0.9935 0.7466 H 1 UNK1 0.1345 45 H -3.2945 -0.2397 2.8866 H 1 UNK1 0.1651 46 H -5.0398 -0.1186 3.0925 H 1 UNK1 0.1694 47 H -4.2832 -1.7149 2.9193 H 1 UNK1 0.1535 48 H -3.6713 3.3493 -0.0816 H 1 UNK1 0.3191 49 H -4.9062 0.3284 -1.7543 H 1 UNK1 0.3481 @BOND 1 1 3 1 2 1 16 1 3 2 5 am 4 2 24 1 5 3 25 1 6 4 22 1 7 4 19 1 8 4 21 1 9 5 7 1 10 6 5 2 11 7 8 1 12 7 26 1 13 7 27 1 14 8 9 1 15 8 28 1 16 8 29 1 17 9 10 1 18 9 30 1 19 9 31 1 20 10 11 1 21 10 32 1 22 10 33 1 23 11 12 1 24 11 34 1 25 11 35 1 26 12 13 1 27 12 36 1 28 12 37 1 29 13 14 1 30 13 38 1 31 13 39 1 32 14 15 1 33 14 40 1 34 14 41 1 35 15 42 1 36 16 2 1 37 16 17 1 38 16 43 1 39 17 22 1 40 17 18 1 41 17 44 1 42 18 45 1 43 18 46 1 44 18 47 1 45 19 48 1 46 20 4 2 47 21 49 1 48 23 1 2