@MOLECULE (2r,3s,4r)-2-[(s)-(1s)-2-cyclohexen-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxo-2-pyrrolidinecarbaldehyde 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.3492 1.3805 0.4924 C.3 1 UNL111111111 0.0000 2 C 3.6009 0.0617 0.2500 C.3 1 UNL111111111 -0.3112 3 C 2.0996 0.2448 0.4160 C.3 1 UNL111111111 -0.2519 4 C 1.3237 -1.1046 0.3862 C.3 1 UNL111111111 0.3392 5 C 1.1637 -1.7520 1.7437 C.3 1 UNL111111111 -0.5167 6 O 5.7381 1.1601 0.3573 O.3 1 UNL111111111 -0.5485 7 C 1.5023 1.0392 -0.7370 C.2 1 UNL111111111 0.5980 8 O 1.9054 2.0621 -1.2334 O.2 1 UNL111111111 -0.5152 9 N 0.3368 0.4179 -1.1684 N.am 1 UNL111111111 -0.6291 10 C -0.0126 -0.7745 -0.4031 C.3 1 UNL111111111 0.0057 11 C -0.3024 -1.9598 -1.3367 C.2 1 UNL111111111 0.3541 12 O -1.0441 -2.8384 -0.9837 O.2 1 UNL111111111 -0.4333 13 C -1.2146 -0.5366 0.5548 C.3 1 UNL111111111 0.1235 14 O -0.8266 0.3626 1.5600 O.3 1 UNL111111111 -0.5606 15 C -2.5146 -0.0903 -0.1523 C.3 1 UNL111111111 -0.1530 16 C -3.7088 -0.5518 0.7090 C.3 1 UNL111111111 -0.2690 17 C -5.0114 0.0476 0.1718 C.3 1 UNL111111111 -0.2595 18 C -4.9641 1.5778 0.2809 C.3 1 UNL111111111 -0.2790 19 C -3.6671 2.1262 -0.2146 C.2 1 UNL111111111 -0.1172 20 C -2.5663 1.3882 -0.3903 C.2 1 UNL111111111 -0.2138 21 O 1.9818 -1.9882 -0.5012 O.3 1 UNL111111111 -0.5929 22 H 4.0235 2.1800 -0.1996 H 1 UNL111111111 0.1444 23 H 4.2542 1.7312 1.5363 H 1 UNL111111111 0.1387 24 H 3.8359 -0.3230 -0.7638 H 1 UNL111111111 0.1621 25 H 3.9806 -0.7029 0.9558 H 1 UNL111111111 0.1516 26 H 1.8730 0.7792 1.3720 H 1 UNL111111111 0.1860 27 H 0.6243 -1.1024 2.4535 H 1 UNL111111111 0.1951 28 H 0.5997 -2.6936 1.6774 H 1 UNL111111111 0.1725 29 H 2.1344 -1.9770 2.2025 H 1 UNL111111111 0.1580 30 H 5.9747 1.0120 -0.5786 H 1 UNL111111111 0.3120 31 H -0.2421 0.7548 -1.9119 H 1 UNL111111111 0.3286 32 H 0.1996 -1.9603 -2.3095 H 1 UNL111111111 0.1404 33 H -1.3957 -1.4823 1.1300 H 1 UNL111111111 0.1673 34 H -0.8800 1.2940 1.2584 H 1 UNL111111111 0.3308 35 H -2.5831 -0.6070 -1.1452 H 1 UNL111111111 0.1550 36 H -3.7688 -1.6556 0.7172 H 1 UNL111111111 0.1405 37 H -3.5532 -0.2386 1.7602 H 1 UNL111111111 0.1515 38 H -5.1618 -0.2531 -0.8824 H 1 UNL111111111 0.1409 39 H -5.8781 -0.3506 0.7294 H 1 UNL111111111 0.1346 40 H -5.8134 2.0237 -0.2749 H 1 UNL111111111 0.1451 41 H -5.1066 1.8859 1.3399 H 1 UNL111111111 0.1522 42 H -3.6705 3.1973 -0.4164 H 1 UNL111111111 0.1410 43 H -1.6462 1.8465 -0.7460 H 1 UNL111111111 0.1446 44 H 2.6708 -2.5168 -0.0561 H 1 UNL111111111 0.3372 @BOND 1 1 2 1 2 1 6 1 3 1 22 1 4 1 23 1 5 2 3 1 6 2 24 1 7 2 25 1 8 3 4 1 9 3 7 1 10 3 26 1 11 4 5 1 12 4 10 1 13 4 21 1 14 5 27 1 15 5 28 1 16 5 29 1 17 6 30 1 18 7 8 2 19 7 9 am 20 9 10 1 21 9 31 1 22 10 11 1 23 10 13 1 24 11 12 2 25 11 32 1 26 13 14 1 27 13 15 1 28 13 33 1 29 14 34 1 30 15 16 1 31 15 20 1 32 15 35 1 33 16 17 1 34 16 36 1 35 16 37 1 36 17 18 1 37 17 38 1 38 17 39 1 39 18 19 1 40 18 40 1 41 18 41 1 42 19 20 2 43 19 42 1 44 20 43 1 45 21 44 1