@MOLECULE 1-[(2s)-2-(3-pyridinyl)-1-pyrrolidinyl]-1-octanone 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2398 -0.2681 1.4536 O.2 1 UNL1111111111 -0.5274 2 N 1.3258 1.1155 0.0635 N.am 1 UNL1111111111 -0.5439 3 N 4.8287 -2.1724 0.6158 N.ar 1 UNL1111111111 -0.3612 4 C 2.6109 0.8702 0.7451 C.3 1 UNL1111111111 0.1053 5 C 3.4603 2.1402 0.4815 C.3 1 UNL1111111111 -0.2936 6 C 2.8338 2.8027 -0.7561 C.3 1 UNL1111111111 -0.2786 7 C 1.3726 2.3062 -0.7986 C.3 1 UNL1111111111 -0.0528 8 C 3.3055 -0.3500 0.1968 C.ar 1 UNL1111111111 -0.1166 9 C 0.1641 0.5328 0.5440 C.2 1 UNL1111111111 0.5854 10 C -1.1279 0.8961 -0.1488 C.3 1 UNL1111111111 -0.3553 11 C -2.2559 -0.0022 0.3718 C.3 1 UNL1111111111 -0.2464 12 C -3.5886 0.3567 -0.2931 C.3 1 UNL1111111111 -0.2738 13 C -4.7162 -0.5242 0.2608 C.3 1 UNL1111111111 -0.2709 14 C 3.1477 -0.7769 -1.1209 C.ar 1 UNL1111111111 -0.0797 15 C 4.1548 -1.0888 1.0373 C.ar 1 UNL1111111111 0.0346 16 C -6.0631 -0.1446 -0.3667 C.3 1 UNL1111111111 -0.2762 17 C -7.1962 -0.9974 0.2202 C.3 1 UNL1111111111 -0.2502 18 C 3.8353 -1.9058 -1.5613 C.ar 1 UNL1111111111 -0.2412 19 C 4.6704 -2.5754 -0.6592 C.ar 1 UNL1111111111 0.0450 20 C -8.5440 -0.6044 -0.3850 C.3 1 UNL1111111111 -0.4409 21 H 2.4200 0.7301 1.8458 H 1 UNL1111111111 0.1659 22 H 3.4239 2.8152 1.3533 H 1 UNL1111111111 0.1495 23 H 4.5219 1.8940 0.3203 H 1 UNL1111111111 0.1542 24 H 3.3746 2.5070 -1.6719 H 1 UNL1111111111 0.1467 25 H 2.8882 3.9007 -0.7017 H 1 UNL1111111111 0.1449 26 H 1.0627 2.0352 -1.8298 H 1 UNL1111111111 0.1346 27 H 0.6755 3.0885 -0.4301 H 1 UNL1111111111 0.1293 28 H -1.0238 0.7825 -1.2462 H 1 UNL1111111111 0.1633 29 H -1.3705 1.9615 0.0344 H 1 UNL1111111111 0.1591 30 H -2.3320 0.0902 1.4743 H 1 UNL1111111111 0.1569 31 H -2.0037 -1.0667 0.1925 H 1 UNL1111111111 0.1564 32 H -3.8258 1.4231 -0.1219 H 1 UNL1111111111 0.1333 33 H -3.5159 0.2319 -1.3892 H 1 UNL1111111111 0.1340 34 H -4.4943 -1.5906 0.0674 H 1 UNL1111111111 0.1399 35 H -4.7699 -0.4215 1.3613 H 1 UNL1111111111 0.1400 36 H 2.4854 -0.2353 -1.7961 H 1 UNL1111111111 0.1621 37 H 4.3063 -0.8150 2.0881 H 1 UNL1111111111 0.1734 38 H -6.0225 -0.2744 -1.4638 H 1 UNL1111111111 0.1346 39 H -6.2731 0.9277 -0.1969 H 1 UNL1111111111 0.1347 40 H -6.9968 -2.0700 0.0355 H 1 UNL1111111111 0.1349 41 H -7.2276 -0.8801 1.3200 H 1 UNL1111111111 0.1349 42 H 3.7241 -2.2619 -2.5804 H 1 UNL1111111111 0.1632 43 H 5.2373 -3.4664 -0.9494 H 1 UNL1111111111 0.1685 44 H -8.5520 -0.7472 -1.4712 H 1 UNL1111111111 0.1417 45 H -9.3579 -1.2075 0.0324 H 1 UNL1111111111 0.1409 46 H -8.7796 0.4474 -0.1889 H 1 UNL1111111111 0.1417 @BOND 1 1 9 2 2 2 4 1 3 2 7 1 4 2 9 am 5 3 15 ar 6 3 19 ar 7 4 5 1 8 4 8 1 9 4 21 1 10 5 6 1 11 5 22 1 12 5 23 1 13 6 7 1 14 6 24 1 15 6 25 1 16 7 26 1 17 7 27 1 18 8 14 ar 19 8 15 ar 20 9 10 1 21 10 11 1 22 10 28 1 23 10 29 1 24 11 12 1 25 11 30 1 26 11 31 1 27 12 13 1 28 12 32 1 29 12 33 1 30 13 16 1 31 13 34 1 32 13 35 1 33 14 18 ar 34 14 36 1 35 15 37 1 36 16 17 1 37 16 38 1 38 16 39 1 39 17 20 1 40 17 40 1 41 17 41 1 42 18 19 ar 43 18 42 1 44 19 43 1 45 20 44 1 46 20 45 1 47 20 46 1