@MOLECULE 1-{(2s)-2-[3-(1-pyrrolidinyl)-1-propyn-1-yl]-1-piperidinyl}ethanone 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4668 1.8344 1.7264 O.2 1 UNL1111111111 -0.5489 2 N 2.9507 -0.1360 0.6190 N.3 1 UNL1111111111 -0.4073 3 N -2.1142 0.4514 -0.0067 N.am 1 UNL1111111111 -0.5214 4 C -1.7997 -0.6644 0.9092 C.3 1 UNL1111111111 0.1399 5 C -2.6366 -1.9119 0.5242 C.3 1 UNL1111111111 -0.2884 6 C -2.4555 -2.2644 -0.9556 C.3 1 UNL1111111111 -0.2571 7 C -2.8049 -1.0562 -1.8315 C.3 1 UNL1111111111 -0.2911 8 C -1.9400 0.1568 -1.4304 C.3 1 UNL1111111111 -0.0505 9 C 4.4247 -0.3284 0.5625 C.3 1 UNL1111111111 -0.1111 10 C 2.5284 0.6166 -0.5913 C.3 1 UNL1111111111 -0.1070 11 C 4.9701 0.4740 -0.6375 C.3 1 UNL1111111111 -0.2871 12 C 3.7864 1.3098 -1.1487 C.3 1 UNL1111111111 -0.2789 13 C 2.2239 -1.4243 0.7683 C.3 1 UNL1111111111 -0.0834 14 C -0.3844 -0.9602 0.8627 C.1 1 UNL1111111111 -0.1334 15 C -2.3871 1.6993 0.5195 C.2 1 UNL1111111111 0.6102 16 C 0.8051 -1.1814 0.8155 C.1 1 UNL1111111111 -0.0871 17 C -2.6043 2.8531 -0.4211 C.3 1 UNL1111111111 -0.5227 18 H -2.0823 -0.3461 1.9645 H 1 UNL1111111111 0.1927 19 H -3.7029 -1.7101 0.7389 H 1 UNL1111111111 0.1501 20 H -2.3419 -2.7622 1.1656 H 1 UNL1111111111 0.1468 21 H -3.0919 -3.1278 -1.2229 H 1 UNL1111111111 0.1340 22 H -1.4124 -2.5837 -1.1438 H 1 UNL1111111111 0.1433 23 H -2.6461 -1.2905 -2.8987 H 1 UNL1111111111 0.1362 24 H -3.8765 -0.8064 -1.7217 H 1 UNL1111111111 0.1467 25 H -0.8636 -0.0640 -1.6282 H 1 UNL1111111111 0.1382 26 H -2.2111 1.0346 -2.0519 H 1 UNL1111111111 0.1335 27 H 4.7261 -1.3902 0.4997 H 1 UNL1111111111 0.1161 28 H 4.8217 0.0696 1.5224 H 1 UNL1111111111 0.1473 29 H 1.7643 1.3523 -0.2601 H 1 UNL1111111111 0.1500 30 H 2.0567 -0.0254 -1.3597 H 1 UNL1111111111 0.1148 31 H 5.3493 -0.1977 -1.4232 H 1 UNL1111111111 0.1333 32 H 5.8160 1.1136 -0.3392 H 1 UNL1111111111 0.1405 33 H 3.8531 2.3470 -0.7768 H 1 UNL1111111111 0.1457 34 H 3.7670 1.3689 -2.2464 H 1 UNL1111111111 0.1333 35 H 2.4686 -2.1614 -0.0380 H 1 UNL1111111111 0.1300 36 H 2.5661 -1.8801 1.7367 H 1 UNL1111111111 0.1653 37 H -2.8332 3.7621 0.1619 H 1 UNL1111111111 0.1877 38 H -3.4511 2.6823 -1.0964 H 1 UNL1111111111 0.1679 39 H -1.7102 3.0700 -1.0190 H 1 UNL1111111111 0.1717 @BOND 1 1 15 2 2 2 9 1 3 2 10 1 4 2 13 1 5 3 4 1 6 3 8 1 7 3 15 am 8 4 5 1 9 4 14 1 10 4 18 1 11 5 6 1 12 5 19 1 13 5 20 1 14 6 7 1 15 6 21 1 16 6 22 1 17 7 8 1 18 7 23 1 19 7 24 1 20 8 25 1 21 8 26 1 22 9 11 1 23 9 27 1 24 9 28 1 25 10 12 1 26 10 29 1 27 10 30 1 28 11 12 1 29 11 31 1 30 11 32 1 31 12 33 1 32 12 34 1 33 13 16 1 34 13 35 1 35 13 36 1 36 14 16 3 37 15 17 1 38 17 37 1 39 17 38 1 40 17 39 1