@MOLECULE ethyl (3s,4s)-3-(2-ethoxy-2-oxoethyl)-4-isopropenyl-l-prolinate 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7155 1.2468 -0.4153 O.3 1 UNL1111 -0.4262 2 O 0.5925 3.0605 0.2982 O.2 1 UNL1111 -0.5130 3 O 1.2750 -1.9501 0.7527 O.3 1 UNL1111 -0.4330 4 O 0.9239 -2.2235 -1.4515 O.2 1 UNL1111 -0.5129 5 N -1.1261 1.4301 1.8476 N.3 1 UNL1111 -0.5196 6 C -0.9637 0.0632 -0.2117 C.3 1 UNL1111 -0.1024 7 C -2.4097 0.6088 -0.0538 C.3 1 UNL1111 -0.1741 8 C -0.1667 0.8157 0.8991 C.3 1 UNL1111 -0.0545 9 C -2.4828 0.9825 1.4466 C.3 1 UNL1111 -0.1127 10 C -0.8724 -1.4526 -0.0096 C.3 1 UNL1111 -0.3638 11 C -3.4635 -0.3337 -0.5480 C.2 1 UNL1111 0.0670 12 C 0.7231 1.8639 0.2546 C.2 1 UNL1111 0.5584 13 C 0.5112 -1.9181 -0.3629 C.2 1 UNL1111 0.6086 14 C -3.6012 -0.3624 -2.0372 C.3 1 UNL1111 -0.4666 15 C -4.2393 -1.0826 0.2381 C.2 1 UNL1111 -0.3797 16 C 2.6399 2.0796 -1.1340 C.3 1 UNL1111 0.0102 17 C 2.6661 -2.2624 0.5868 C.3 1 UNL1111 0.0083 18 C 3.5912 1.0826 -1.7743 C.3 1 UNL1111 -0.4630 19 C 3.3323 -1.6631 1.8149 C.3 1 UNL1111 -0.4636 20 H -0.5727 0.3142 -1.2249 H 1 UNL1111 0.1592 21 H -2.4881 1.5582 -0.6466 H 1 UNL1111 0.1561 22 H 0.4729 0.1050 1.4960 H 1 UNL1111 0.2024 23 H -2.7331 0.0991 2.0742 H 1 UNL1111 0.1538 24 H -3.2427 1.7560 1.6510 H 1 UNL1111 0.1353 25 H -1.0448 2.4495 1.8445 H 1 UNL1111 0.2757 26 H -1.6076 -1.9817 -0.6570 H 1 UNL1111 0.1900 27 H -1.1389 -1.7239 1.0350 H 1 UNL1111 0.1895 28 H -4.2204 -1.1982 -2.3885 H 1 UNL1111 0.1566 29 H -2.6271 -0.4533 -2.5393 H 1 UNL1111 0.1635 30 H -4.0749 0.5588 -2.4070 H 1 UNL1111 0.1600 31 H -5.0006 -1.7462 -0.1389 H 1 UNL1111 0.1496 32 H -4.1883 -1.0980 1.3135 H 1 UNL1111 0.1501 33 H 3.1336 2.7558 -0.4147 H 1 UNL1111 0.1349 34 H 2.0738 2.6748 -1.8717 H 1 UNL1111 0.1344 35 H 2.7430 -3.3619 0.5427 H 1 UNL1111 0.1278 36 H 3.0402 -1.8260 -0.3572 H 1 UNL1111 0.1396 37 H 3.0446 0.3452 -2.3813 H 1 UNL1111 0.1692 38 H 4.1502 0.5171 -1.0180 H 1 UNL1111 0.1563 39 H 4.3135 1.5859 -2.4263 H 1 UNL1111 0.1547 40 H 2.8849 -2.0520 2.7398 H 1 UNL1111 0.1612 41 H 3.2158 -0.5708 1.8386 H 1 UNL1111 0.1619 42 H 4.4034 -1.8899 1.8351 H 1 UNL1111 0.1507 @BOND 1 1 12 1 2 1 16 1 3 2 12 2 4 3 13 1 5 3 17 1 6 4 13 2 7 5 8 1 8 5 9 1 9 5 25 1 10 6 7 1 11 6 8 1 12 6 10 1 13 6 20 1 14 7 9 1 15 7 11 1 16 7 21 1 17 8 12 1 18 8 22 1 19 9 23 1 20 9 24 1 21 10 13 1 22 10 26 1 23 10 27 1 24 11 14 1 25 11 15 2 26 14 28 1 27 14 29 1 28 14 30 1 29 15 31 1 30 15 32 1 31 16 18 1 32 16 33 1 33 16 34 1 34 17 19 1 35 17 35 1 36 17 36 1 37 18 37 1 38 18 38 1 39 18 39 1 40 19 40 1 41 19 41 1 42 19 42 1