@MOLECULE 7-[2-oxo-5-(3-oxooctyl)-1-pyrrolidinyl]heptanoic acid 57 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.2395 -0.1536 0.8217 O.2 1 UNL1111111111 -0.5378 2 O 0.5924 1.3822 -1.9233 O.2 1 UNL1111111111 -0.4604 3 O 2.0991 -0.7550 1.6446 O.3 1 UNL1111111111 -0.5877 4 O 3.0131 -2.3391 0.3776 O.2 1 UNL1111111111 -0.5159 5 N -3.2341 0.3815 -0.1346 N.am 1 UNL1111111111 -0.5352 6 C -1.9814 1.0820 0.1901 C.3 1 UNL1111111111 0.0995 7 C -2.1377 1.4763 1.6911 C.3 1 UNL1111111111 -0.2974 8 C -1.7969 2.3105 -0.7254 C.3 1 UNL1111111111 -0.2907 9 C -3.5705 1.0981 2.0945 C.3 1 UNL1111111111 -0.3587 10 C -3.4259 -0.3500 -1.3822 C.3 1 UNL1111111111 -0.0543 11 C -4.1488 0.3643 0.8990 C.2 1 UNL1111111111 0.5895 12 C -2.3105 -1.3716 -1.6711 C.3 1 UNL1111111111 -0.3033 13 C -0.4410 2.9779 -0.4952 C.3 1 UNL1111111111 -0.3896 14 C -2.2200 -2.4376 -0.5744 C.3 1 UNL1111111111 -0.2634 15 C 0.6891 2.0750 -0.9429 C.2 1 UNL1111111111 0.4847 16 C -1.0610 -3.4133 -0.8139 C.3 1 UNL1111111111 -0.2664 17 C 1.9229 2.0920 -0.0798 C.3 1 UNL1111111111 -0.3887 18 C 0.3207 -2.7670 -0.6714 C.3 1 UNL1111111111 -0.2563 19 C 3.0373 1.2373 -0.6873 C.3 1 UNL1111111111 -0.2538 20 C 4.2888 1.2632 0.1969 C.3 1 UNL1111111111 -0.2756 21 C 0.6077 -2.3482 0.7770 C.3 1 UNL1111111111 -0.3418 22 C 5.2874 0.1891 -0.2522 C.3 1 UNL1111111111 -0.2638 23 C 2.0204 -1.8742 0.8734 C.2 1 UNL1111111111 0.6521 24 C 6.5748 0.2611 0.5669 C.3 1 UNL1111111111 -0.4381 25 H -1.1151 0.3869 0.0552 H 1 UNL1111111111 0.1430 26 H -1.3966 0.9386 2.3049 H 1 UNL1111111111 0.1486 27 H -1.9508 2.5498 1.8473 H 1 UNL1111111111 0.1499 28 H -1.8780 1.9921 -1.7874 H 1 UNL1111111111 0.1690 29 H -2.6195 3.0328 -0.5670 H 1 UNL1111111111 0.1528 30 H -3.6033 0.4516 2.9894 H 1 UNL1111111111 0.1729 31 H -4.1899 1.9816 2.3322 H 1 UNL1111111111 0.1725 32 H -4.4170 -0.8679 -1.3309 H 1 UNL1111111111 0.1685 33 H -3.4888 0.3819 -2.2201 H 1 UNL1111111111 0.1335 34 H -2.5110 -1.8500 -2.6474 H 1 UNL1111111111 0.1463 35 H -1.3404 -0.8497 -1.7884 H 1 UNL1111111111 0.1553 36 H -0.3259 3.2769 0.5626 H 1 UNL1111111111 0.1576 37 H -0.3843 3.9234 -1.0773 H 1 UNL1111111111 0.1717 38 H -3.1726 -3.0013 -0.5239 H 1 UNL1111111111 0.1420 39 H -2.1181 -1.9563 0.4162 H 1 UNL1111111111 0.1403 40 H -1.1490 -4.2675 -0.1144 H 1 UNL1111111111 0.1362 41 H -1.1508 -3.8524 -1.8268 H 1 UNL1111111111 0.1411 42 H 2.2723 3.1323 0.0688 H 1 UNL1111111111 0.1625 43 H 1.6630 1.7108 0.9317 H 1 UNL1111111111 0.1733 44 H 0.4077 -1.8907 -1.3457 H 1 UNL1111111111 0.1534 45 H 1.1012 -3.4789 -1.0152 H 1 UNL1111111111 0.1561 46 H 3.2799 1.5933 -1.7078 H 1 UNL1111111111 0.1510 47 H 2.6790 0.1970 -0.8303 H 1 UNL1111111111 0.1566 48 H 4.7629 2.2623 0.1541 H 1 UNL1111111111 0.1392 49 H 4.0231 1.1115 1.2603 H 1 UNL1111111111 0.1193 50 H -0.1051 -1.5641 1.1102 H 1 UNL1111111111 0.1773 51 H 0.4560 -3.2036 1.4710 H 1 UNL1111111111 0.1800 52 H 5.5156 0.3109 -1.3285 H 1 UNL1111111111 0.1410 53 H 4.8338 -0.8203 -0.1592 H 1 UNL1111111111 0.1571 54 H 7.0751 1.2283 0.4467 H 1 UNL1111111111 0.1408 55 H 7.2829 -0.5161 0.2548 H 1 UNL1111111111 0.1461 56 H 6.3824 0.1158 1.6349 H 1 UNL1111111111 0.1383 57 H 3.0153 -0.3723 1.6892 H 1 UNL1111111111 0.3598 @BOND 1 1 11 2 2 2 15 2 3 3 23 1 4 3 57 1 5 4 23 2 6 5 6 1 7 5 10 1 8 5 11 am 9 6 7 1 10 6 8 1 11 6 25 1 12 7 9 1 13 7 26 1 14 7 27 1 15 8 13 1 16 8 28 1 17 8 29 1 18 9 11 1 19 9 30 1 20 9 31 1 21 10 12 1 22 10 32 1 23 10 33 1 24 12 14 1 25 12 34 1 26 12 35 1 27 13 15 1 28 13 36 1 29 13 37 1 30 14 16 1 31 14 38 1 32 14 39 1 33 15 17 1 34 16 18 1 35 16 40 1 36 16 41 1 37 17 19 1 38 17 42 1 39 17 43 1 40 18 21 1 41 18 44 1 42 18 45 1 43 19 20 1 44 19 46 1 45 19 47 1 46 20 22 1 47 20 48 1 48 20 49 1 49 21 23 1 50 21 50 1 51 21 51 1 52 22 24 1 53 22 52 1 54 22 53 1 55 24 54 1 56 24 55 1 57 24 56 1