@MOLECULE 4-hydroxyspartein-2-one 43 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7825 1.0231 -0.4316 O.3 1 UNL1111111111 -0.5599 2 O -0.1472 1.7670 -1.4173 O.2 1 UNL1111111111 -0.5544 3 N 1.1485 -0.0842 0.8480 N.3 1 UNL1111111111 -0.4478 4 N -1.0845 -0.2501 -0.9537 N.am 1 UNL1111111111 -0.4989 5 C 0.9981 -1.6841 -1.0703 C.3 1 UNL1111111111 -0.1616 6 C -0.5360 -1.9354 0.8540 C.3 1 UNL1111111111 -0.1601 7 C 1.9292 -0.7908 -0.2050 C.3 1 UNL1111111111 0.0522 8 C -1.6366 -1.1568 0.0716 C.3 1 UNL1111111111 0.0939 9 C 0.3223 -2.7120 -0.1526 C.3 1 UNL1111111111 -0.2945 10 C 0.3875 -1.0333 1.6978 C.3 1 UNL1111111111 -0.1247 11 C -0.1015 -0.9105 -1.8335 C.3 1 UNL1111111111 -0.0779 12 C 2.6601 0.2388 -1.0908 C.3 1 UNL1111111111 -0.3056 13 C -2.6185 -0.4786 1.0537 C.3 1 UNL1111111111 -0.3784 14 C 2.0349 0.7478 1.7037 C.3 1 UNL1111111111 -0.1111 15 C 3.5786 1.1206 -0.2403 C.3 1 UNL1111111111 -0.2563 16 C 2.7331 1.8080 0.8358 C.3 1 UNL1111111111 -0.2768 17 C -2.9377 0.9772 0.6932 C.3 1 UNL1111111111 0.1937 18 C -0.8414 1.1036 -0.6738 C.2 1 UNL1111111111 0.6379 19 C -1.6445 1.7478 0.4296 C.3 1 UNL1111111111 -0.4273 20 H 1.6348 -2.2068 -1.8220 H 1 UNL1111111111 0.1403 21 H -1.0481 -2.6485 1.5414 H 1 UNL1111111111 0.1372 22 H 2.6987 -1.4621 0.2641 H 1 UNL1111111111 0.1082 23 H -2.2223 -1.9234 -0.5173 H 1 UNL1111111111 0.1384 24 H -0.2922 -3.4188 -0.7379 H 1 UNL1111111111 0.1428 25 H 1.0750 -3.3297 0.3688 H 1 UNL1111111111 0.1405 26 H -0.2208 -0.4269 2.4052 H 1 UNL1111111111 0.1355 27 H 1.0522 -1.6770 2.3158 H 1 UNL1111111111 0.1143 28 H 0.3596 -0.1459 -2.5042 H 1 UNL1111111111 0.1727 29 H -0.6621 -1.6137 -2.4909 H 1 UNL1111111111 0.1363 30 H 1.9138 0.8861 -1.6050 H 1 UNL1111111111 0.1860 31 H 3.2283 -0.2783 -1.8807 H 1 UNL1111111111 0.1329 32 H -3.5653 -1.0553 1.0703 H 1 UNL1111111111 0.1621 33 H -2.2295 -0.5164 2.0875 H 1 UNL1111111111 0.1524 34 H 2.7897 0.1434 2.2501 H 1 UNL1111111111 0.1118 35 H 1.4004 1.2501 2.4655 H 1 UNL1111111111 0.1290 36 H 4.0766 1.8752 -0.8771 H 1 UNL1111111111 0.1394 37 H 4.3842 0.5209 0.2185 H 1 UNL1111111111 0.1295 38 H 3.3492 2.4708 1.4652 H 1 UNL1111111111 0.1330 39 H 1.9653 2.4476 0.3491 H 1 UNL1111111111 0.1673 40 H -3.5602 1.4678 1.4765 H 1 UNL1111111111 0.1409 41 H -1.0111 1.8006 1.3383 H 1 UNL1111111111 0.1827 42 H -1.8673 2.7994 0.1471 H 1 UNL1111111111 0.1906 43 H -3.3276 0.6439 -1.2155 H 1 UNL1111111111 0.3336 @BOND 1 1 17 1 2 1 43 1 3 2 18 2 4 3 7 1 5 3 10 1 6 3 14 1 7 4 8 1 8 4 11 1 9 4 18 am 10 5 7 1 11 5 9 1 12 5 11 1 13 5 20 1 14 6 8 1 15 6 9 1 16 6 10 1 17 6 21 1 18 7 12 1 19 7 22 1 20 8 13 1 21 8 23 1 22 9 24 1 23 9 25 1 24 10 26 1 25 10 27 1 26 11 28 1 27 11 29 1 28 12 15 1 29 12 30 1 30 12 31 1 31 13 17 1 32 13 32 1 33 13 33 1 34 14 16 1 35 14 34 1 36 14 35 1 37 15 16 1 38 15 36 1 39 15 37 1 40 16 38 1 41 16 39 1 42 17 19 1 43 17 40 1 44 18 19 1 45 19 41 1 46 19 42 1