@MOLECULE dodecyl 5-oxo-l-prolinate 52 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4335 0.0240 0.1988 O.3 1 UNL1111111111 -0.4373 2 O 8.9485 -0.1530 -0.4396 O.2 1 UNL1111111111 -0.4956 3 O 4.7390 -1.7931 -0.0293 O.2 1 UNL1111111111 -0.4848 4 N 6.9970 -0.3549 0.7265 N.am 1 UNL1111111111 -0.6022 5 C -3.9436 0.3333 0.1094 C.3 1 UNL1111111111 -0.2746 6 C -2.7131 -0.4850 -0.3017 C.3 1 UNL1111111111 -0.2722 7 C -5.2348 -0.4055 -0.2674 C.3 1 UNL1111111111 -0.2715 8 C -1.4182 0.2498 0.0701 C.3 1 UNL1111111111 -0.2697 9 C -6.4661 0.4136 0.1402 C.3 1 UNL1111111111 -0.2723 10 C -0.1913 -0.5883 -0.3129 C.3 1 UNL1111111111 -0.2690 11 C 5.6904 0.2943 0.8069 C.3 1 UNL1111111111 0.0166 12 C -7.7569 -0.3313 -0.2229 C.3 1 UNL1111111111 -0.2745 13 C 5.8116 1.5928 -0.0390 C.3 1 UNL1111111111 -0.2696 14 C 1.1001 0.1323 0.0893 C.3 1 UNL1111111111 -0.3008 15 C 7.2292 1.5789 -0.6323 C.3 1 UNL1111111111 -0.3596 16 C -8.9883 0.4830 0.1932 C.3 1 UNL1111111111 -0.2722 17 C 2.3032 -0.7417 -0.2545 C.3 1 UNL1111111111 -0.0091 18 C 7.8630 0.2866 -0.1566 C.2 1 UNL1111111111 0.5982 19 C 4.6097 -0.6357 0.2663 C.2 1 UNL1111111111 0.5502 20 C -10.2806 -0.2636 -0.1641 C.3 1 UNL1111111111 -0.2509 21 C -11.5099 0.5446 0.2516 C.3 1 UNL1111111111 -0.4397 22 H -3.9240 0.5281 1.1978 H 1 UNL1111111111 0.1370 23 H -3.9201 1.3256 -0.3774 H 1 UNL1111111111 0.1367 24 H -2.7376 -0.6829 -1.3894 H 1 UNL1111111111 0.1373 25 H -2.7403 -1.4767 0.1876 H 1 UNL1111111111 0.1379 26 H -5.2553 -0.6032 -1.3553 H 1 UNL1111111111 0.1367 27 H -5.2608 -1.3970 0.2219 H 1 UNL1111111111 0.1370 28 H -1.3822 1.2313 -0.4357 H 1 UNL1111111111 0.1372 29 H -1.4060 0.4654 1.1546 H 1 UNL1111111111 0.1380 30 H -6.4463 1.4011 -0.3573 H 1 UNL1111111111 0.1365 31 H -6.4412 0.6202 1.2264 H 1 UNL1111111111 0.1367 32 H -0.2446 -1.5792 0.1782 H 1 UNL1111111111 0.1417 33 H -0.1951 -0.7872 -1.4016 H 1 UNL1111111111 0.1407 34 H 5.4491 0.5305 1.8784 H 1 UNL1111111111 0.1728 35 H -7.7740 -1.3217 0.2688 H 1 UNL1111111111 0.1367 36 H -7.7854 -0.5318 -1.3101 H 1 UNL1111111111 0.1365 37 H 5.0400 1.6354 -0.8280 H 1 UNL1111111111 0.1637 38 H 5.6442 2.4822 0.5913 H 1 UNL1111111111 0.1566 39 H 1.1782 1.1108 -0.4225 H 1 UNL1111111111 0.1520 40 H 1.0973 0.3651 1.1722 H 1 UNL1111111111 0.1541 41 H 7.2249 1.6160 -1.7374 H 1 UNL1111111111 0.1780 42 H 7.8325 2.4447 -0.3022 H 1 UNL1111111111 0.1775 43 H -8.9747 1.4718 -0.3016 H 1 UNL1111111111 0.1364 44 H -8.9590 0.6880 1.2795 H 1 UNL1111111111 0.1365 45 H 7.1127 -1.3088 1.0216 H 1 UNL1111111111 0.3361 46 H 2.2878 -1.7155 0.2677 H 1 UNL1111111111 0.1426 47 H 2.4262 -0.9058 -1.3381 H 1 UNL1111111111 0.1351 48 H -10.2945 -1.2535 0.3297 H 1 UNL1111111111 0.1338 49 H -10.3117 -0.4667 -1.2511 H 1 UNL1111111111 0.1337 50 H -11.5356 1.5197 -0.2474 H 1 UNL1111111111 0.1423 51 H -12.4361 0.0189 -0.0050 H 1 UNL1111111111 0.1405 52 H -11.5230 0.7266 1.3320 H 1 UNL1111111111 0.1424 @BOND 1 1 17 1 2 1 19 1 3 2 18 2 4 3 19 2 5 4 11 1 6 4 18 am 7 4 45 1 8 5 6 1 9 5 7 1 10 5 22 1 11 5 23 1 12 6 8 1 13 6 24 1 14 6 25 1 15 7 9 1 16 7 26 1 17 7 27 1 18 8 10 1 19 8 28 1 20 8 29 1 21 9 12 1 22 9 30 1 23 9 31 1 24 10 14 1 25 10 32 1 26 10 33 1 27 11 13 1 28 11 19 1 29 11 34 1 30 12 16 1 31 12 35 1 32 12 36 1 33 13 15 1 34 13 37 1 35 13 38 1 36 14 17 1 37 14 39 1 38 14 40 1 39 15 18 1 40 15 41 1 41 15 42 1 42 16 20 1 43 16 43 1 44 16 44 1 45 17 46 1 46 17 47 1 47 20 21 1 48 20 48 1 49 20 49 1 50 21 50 1 51 21 51 1 52 21 52 1