@MOLECULE [(1S,3R)-1-ethylpyrrolidin-3-yl]methyl (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4410 0.6881 -0.8708 O.3 1 UNL111111111 -0.4187 2 O 2.5903 -1.0450 -1.4832 O.3 1 UNL111111111 -0.5333 3 O 0.1001 -0.7754 -2.4969 O.2 1 UNL111111111 -0.5061 4 N -4.0613 0.0278 0.8458 N.3 1 UNL111111111 -0.4161 5 C 1.2890 -1.3746 0.5353 C.3 1 UNL111111111 -0.1383 6 C 0.6041 -2.6791 0.0894 C.3 1 UNL111111111 -0.2696 7 C 2.5563 -1.8246 1.2848 C.3 1 UNL111111111 -0.2613 8 C 1.6395 -0.4375 -0.6398 C.3 1 UNL111111111 0.2089 9 C 0.9413 -3.7027 1.1870 C.3 1 UNL111111111 -0.2547 10 C 2.2341 -3.2112 1.8697 C.3 1 UNL111111111 -0.2634 11 C -2.6625 -0.2174 -1.1710 C.3 1 UNL111111111 -0.1749 12 C -4.0988 0.1213 -1.6132 C.3 1 UNL111111111 -0.3128 13 C -2.7612 -0.4906 0.3540 C.3 1 UNL111111111 -0.1167 14 C -4.9624 -0.0088 -0.3350 C.3 1 UNL111111111 -0.1162 15 C -1.7111 0.9392 -1.4757 C.3 1 UNL111111111 -0.0255 16 C 0.3693 -0.2057 -1.4718 C.2 1 UNL111111111 0.5485 17 C 2.2476 0.8621 -0.1771 C.ar 1 UNL111111111 -0.0483 18 C -3.9587 1.3901 1.4248 C.3 1 UNL111111111 -0.0985 19 C 1.5659 1.6691 0.7372 C.ar 1 UNL111111111 -0.1351 20 C 3.4978 1.2543 -0.6547 C.ar 1 UNL111111111 -0.1153 21 C -3.2221 1.3258 2.7691 C.3 1 UNL111111111 -0.4461 22 C 2.1377 2.8619 1.1717 C.ar 1 UNL111111111 -0.1532 23 C 4.0680 2.4480 -0.2155 C.ar 1 UNL111111111 -0.1572 24 C 3.3895 3.2517 0.6978 C.ar 1 UNL111111111 -0.1426 25 H 0.6155 -0.8300 1.2385 H 1 UNL111111111 0.1494 26 H 0.9887 -3.0213 -0.8868 H 1 UNL111111111 0.1412 27 H -0.4830 -2.5528 -0.0330 H 1 UNL111111111 0.1353 28 H 2.8432 -1.1025 2.0639 H 1 UNL111111111 0.1359 29 H 3.4166 -1.8833 0.5911 H 1 UNL111111111 0.1576 30 H 1.0675 -4.7120 0.7666 H 1 UNL111111111 0.1300 31 H 0.1196 -3.7739 1.9191 H 1 UNL111111111 0.1340 32 H 2.1036 -3.1581 2.9622 H 1 UNL111111111 0.1296 33 H 3.0659 -3.9119 1.6952 H 1 UNL111111111 0.1309 34 H -2.2989 -1.1310 -1.6943 H 1 UNL111111111 0.1603 35 H -4.1740 1.1337 -2.0383 H 1 UNL111111111 0.1387 36 H -4.4491 -0.5654 -2.4000 H 1 UNL111111111 0.1468 37 H -2.7607 -1.5846 0.5508 H 1 UNL111111111 0.1417 38 H -1.9064 -0.0658 0.9112 H 1 UNL111111111 0.1459 39 H -5.7484 0.7633 -0.2829 H 1 UNL111111111 0.1292 40 H -5.4780 -0.9936 -0.3091 H 1 UNL111111111 0.1456 41 H -2.0048 1.8841 -0.9820 H 1 UNL111111111 0.1449 42 H -1.5823 1.1006 -2.5609 H 1 UNL111111111 0.1452 43 H -4.9929 1.7644 1.5947 H 1 UNL111111111 0.1309 44 H -3.4607 2.1135 0.7464 H 1 UNL111111111 0.1125 45 H 2.1679 -1.7238 -2.0616 H 1 UNL111111111 0.3390 46 H 0.5827 1.3780 1.1068 H 1 UNL111111111 0.1592 47 H 4.0332 0.6290 -1.3732 H 1 UNL111111111 0.1758 48 H -3.6033 0.4940 3.3773 H 1 UNL111111111 0.1609 49 H -2.1460 1.1700 2.6409 H 1 UNL111111111 0.1459 50 H -3.3635 2.2498 3.3372 H 1 UNL111111111 0.1393 51 H 1.6046 3.4909 1.8807 H 1 UNL111111111 0.1476 52 H 5.0437 2.7507 -0.5894 H 1 UNL111111111 0.1491 53 H 3.8348 4.1830 1.0396 H 1 UNL111111111 0.1442 @BOND 1 1 15 1 2 1 16 1 3 2 8 1 4 2 45 1 5 3 16 2 6 4 13 1 7 4 14 1 8 4 18 1 9 5 6 1 10 5 7 1 11 5 8 1 12 5 25 1 13 6 9 1 14 6 26 1 15 6 27 1 16 7 10 1 17 7 28 1 18 7 29 1 19 8 16 1 20 8 17 1 21 9 10 1 22 9 30 1 23 9 31 1 24 10 32 1 25 10 33 1 26 11 12 1 27 11 13 1 28 11 15 1 29 11 34 1 30 12 14 1 31 12 35 1 32 12 36 1 33 13 37 1 34 13 38 1 35 14 39 1 36 14 40 1 37 15 41 1 38 15 42 1 39 17 19 ar 40 17 20 ar 41 18 21 1 42 18 43 1 43 18 44 1 44 19 22 ar 45 19 46 1 46 20 23 ar 47 20 47 1 48 21 48 1 49 21 49 1 50 21 50 1 51 22 24 ar 52 22 51 1 53 23 24 ar 54 23 52 1 55 24 53 1