@MOLECULE (3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methyl-2-pyrrolidinone 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.1234 1.3076 -0.3512 C.ar 1 UNL1111111111 -0.1704 2 C -5.3111 1.1344 0.3567 C.ar 1 UNL1111111111 -0.1500 3 C -5.5058 -0.0117 1.1255 C.ar 1 UNL1111111111 -0.1429 4 C -4.5133 -0.9888 1.1832 C.ar 1 UNL1111111111 -0.1543 5 C -3.3268 -0.8197 0.4747 C.ar 1 UNL1111111111 -0.1219 6 C -3.1300 0.3298 -0.2923 C.ar 1 UNL1111111111 -0.0501 7 CA -1.8403 0.5200 -1.0532 C.3 1 UNL1111111111 -0.0146 8 C -1.5949 -0.6837 -2.0087 C.3 1 UNL1111111111 -0.0064 9 O -1.0967 -1.8133 -1.3387 O.3 1 UNL1111111111 -0.5426 10 N -0.7351 0.5924 -0.0648 N.3 1 UNL1111111111 -0.5616 11 C 0.5327 1.0830 -0.6395 C.3 1 UNL1111111111 -0.1396 12 C 1.6735 0.7739 0.3610 C.3 1 UNL1111111111 0.0246 13 N 1.9328 -0.6747 0.4506 N.am 1 UNL1111111111 -0.4700 14 C 1.1565 -1.4941 1.3743 C.3 1 UNL1111111111 -0.2271 15 C 3.2186 -1.0186 0.0951 C.2 1 UNL1111111111 0.5095 16 O 3.7289 -2.1034 0.2429 O.2 1 UNL1111111111 -0.5057 17 C 3.9033 0.1938 -0.5558 C.3 1 UNL1111111111 -0.0069 18 O 5.1878 0.3866 -0.0229 O.3 1 UNL1111111111 -0.5359 19 C 3.0174 1.4032 -0.1526 C.3 1 UNL1111111111 0.0960 20 O 3.5289 2.1522 0.9146 O.3 1 UNL1111111111 -0.5422 21 H -3.9789 2.2051 -0.9480 H 1 UNL1111111111 0.1473 22 H -6.0869 1.8961 0.3091 H 1 UNL1111111111 0.1505 23 H -6.4334 -0.1442 1.6787 H 1 UNL1111111111 0.1500 24 H -4.6654 -1.8867 1.7793 H 1 UNL1111111111 0.1531 25 H -2.5488 -1.5874 0.5035 H 1 UNL1111111111 0.1793 26 HA -1.8975 1.4500 -1.6786 H 1 UNL1111111111 0.1233 27 H1 -2.5441 -1.0372 -2.4527 H 1 UNL1111111111 0.1437 28 H2 -0.8870 -0.4161 -2.8132 H 1 UNL1111111111 0.1122 29 H -0.3547 -1.5429 -0.7426 H 1 UNL1111111111 0.3406 30 H -1.0124 1.1376 0.7510 H 1 UNL1111111111 0.2714 31 H 0.7267 0.5594 -1.6021 H 1 UNL1111111111 0.1555 32 H 0.5154 2.1735 -0.8556 H 1 UNL1111111111 0.1265 33 H 1.4278 1.1931 1.3705 H 1 UNL1111111111 0.1699 34 H 0.0733 -1.3078 1.2325 H 1 UNL1111111111 0.1719 35 H 1.3548 -2.5658 1.1766 H 1 UNL1111111111 0.1692 36 H 1.4122 -1.2850 2.4274 H 1 UNL1111111111 0.1398 37 H 4.0031 0.0747 -1.6542 H 1 UNL1111111111 0.1612 38 H 5.5902 -0.4846 0.2239 H 1 UNL1111111111 0.3508 39 H 2.8746 2.1238 -0.9814 H 1 UNL1111111111 0.1449 40 H 4.4453 1.8577 1.1391 H 1 UNL1111111111 0.3508 @BOND 1 1 2 ar 2 1 6 ar 3 1 21 1 4 2 3 ar 5 2 22 1 6 3 4 ar 7 3 23 1 8 4 5 ar 9 4 24 1 10 5 6 ar 11 5 25 1 12 6 7 1 13 7 8 1 14 7 10 1 15 7 26 1 16 8 9 1 17 8 27 1 18 8 28 1 19 9 29 1 20 10 11 1 21 10 30 1 22 11 12 1 23 11 31 1 24 11 32 1 25 12 13 1 26 12 19 1 27 12 33 1 28 13 14 1 29 13 15 am 30 14 34 1 31 14 35 1 32 14 36 1 33 15 16 2 34 15 17 1 35 17 18 1 36 17 19 1 37 17 37 1 38 18 38 1 39 19 20 1 40 19 39 1 41 20 40 1