@MOLECULE 3-{4-(methoxycarbonyl)-4-[phenyl(propanoyl)amino]piperidin-1-yl}propanoic acid 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1105 -2.5375 0.9222 O.3 1 UNL1111111111 -0.3857 2 O 1.6825 -1.5594 1.8545 O.2 1 UNL1111111111 -0.5251 3 O 2.1599 -2.1079 -1.2543 O.2 1 UNL1111111111 -0.5178 4 O -6.7540 1.1509 -1.4881 O.3 1 UNL1111111111 -0.5683 5 O -6.5854 0.4407 0.6154 O.2 1 UNL1111111111 -0.5157 6 N -2.3497 0.2127 0.0950 N.3 1 UNL1111111111 -0.4263 7 N 1.8308 -0.0015 -0.5204 N.am 1 UNL1111111111 -0.5589 8 C 0.5219 -0.3896 0.0556 C.3 1 UNL1111111111 0.2075 9 C -0.0958 0.7640 0.8719 C.3 1 UNL1111111111 -0.3205 10 C -0.4173 -0.7705 -1.1049 C.3 1 UNL1111111111 -0.2969 11 C -1.5271 0.4172 1.3104 C.3 1 UNL1111111111 -0.1025 12 C -1.8716 -0.9747 -0.6541 C.3 1 UNL1111111111 -0.1074 13 C 0.7973 -1.5459 1.0366 C.2 1 UNL1111111111 0.5689 14 C -3.7872 0.0866 0.4297 C.3 1 UNL1111111111 -0.0951 15 C 2.4592 1.1877 -0.0256 C.ar 1 UNL1111111111 0.1682 16 C 2.6232 -0.9974 -1.1192 C.2 1 UNL1111111111 0.6035 17 C -4.5833 0.6816 -0.7490 C.3 1 UNL1111111111 -0.3592 18 C 3.9876 -0.5774 -1.6046 C.3 1 UNL1111111111 -0.3320 19 C 2.3722 2.3537 -0.7940 C.ar 1 UNL1111111111 -0.1763 20 C 3.1531 1.1754 1.1898 C.ar 1 UNL1111111111 -0.1899 21 C -6.0340 0.7223 -0.4162 C.2 1 UNL1111111111 0.6445 22 C 4.6188 -1.7015 -2.4174 C.3 1 UNL1111111111 -0.4145 23 C 0.1182 -3.6831 1.7407 C.3 1 UNL1111111111 -0.1764 24 C 2.9936 3.5131 -0.3375 C.ar 1 UNL1111111111 -0.1368 25 C 3.7679 2.3425 1.6316 C.ar 1 UNL1111111111 -0.1262 26 C 3.6904 3.5082 0.8699 C.ar 1 UNL1111111111 -0.1571 27 H 0.5247 1.0052 1.7562 H 1 UNL1111111111 0.1608 28 H -0.1190 1.6833 0.2466 H 1 UNL1111111111 0.1788 29 H -0.0554 -1.6954 -1.6028 H 1 UNL1111111111 0.1789 30 H -0.3754 0.0325 -1.8696 H 1 UNL1111111111 0.1647 31 H -1.5243 -0.4660 1.9858 H 1 UNL1111111111 0.1251 32 H -1.9477 1.2712 1.8863 H 1 UNL1111111111 0.1442 33 H -2.5111 -1.0956 -1.5568 H 1 UNL1111111111 0.1377 34 H -1.9667 -1.9162 -0.0680 H 1 UNL1111111111 0.1356 35 H -4.1074 -0.9591 0.6251 H 1 UNL1111111111 0.1319 36 H -4.0235 0.6570 1.3562 H 1 UNL1111111111 0.1507 37 H -4.4058 0.1080 -1.6838 H 1 UNL1111111111 0.1861 38 H -4.2041 1.7042 -0.9829 H 1 UNL1111111111 0.1994 39 H 3.9157 0.3503 -2.2097 H 1 UNL1111111111 0.1688 40 H 4.6303 -0.3207 -0.7343 H 1 UNL1111111111 0.1722 41 H 1.8211 2.3480 -1.7328 H 1 UNL1111111111 0.1676 42 H 3.1981 0.2574 1.7837 H 1 UNL1111111111 0.1918 43 H 4.6970 -2.6250 -1.8255 H 1 UNL1111111111 0.1622 44 H 4.0111 -1.9490 -3.2979 H 1 UNL1111111111 0.1554 45 H 5.6230 -1.4340 -2.7617 H 1 UNL1111111111 0.1417 46 H 1.0720 -4.1498 1.4679 H 1 UNL1111111111 0.1487 47 H 0.1190 -3.4015 2.7984 H 1 UNL1111111111 0.1397 48 H -0.7275 -4.3337 1.4933 H 1 UNL1111111111 0.1448 49 H 2.9332 4.4266 -0.9263 H 1 UNL1111111111 0.1502 50 H 4.3095 2.3438 2.5767 H 1 UNL1111111111 0.1546 51 H 4.1735 4.4179 1.2204 H 1 UNL1111111111 0.1493 52 H -7.7258 1.1996 -1.3182 H 1 UNL1111111111 0.3550 @BOND 1 1 13 1 2 1 23 1 3 2 13 2 4 3 16 2 5 4 21 1 6 4 52 1 7 5 21 2 8 6 11 1 9 6 12 1 10 6 14 1 11 7 8 1 12 7 15 1 13 7 16 am 14 8 9 1 15 8 10 1 16 8 13 1 17 9 11 1 18 9 27 1 19 9 28 1 20 10 12 1 21 10 29 1 22 10 30 1 23 11 31 1 24 11 32 1 25 12 33 1 26 12 34 1 27 14 17 1 28 14 35 1 29 14 36 1 30 15 19 ar 31 15 20 ar 32 16 18 1 33 17 21 1 34 17 37 1 35 17 38 1 36 18 22 1 37 18 39 1 38 18 40 1 39 19 24 ar 40 19 41 1 41 20 25 ar 42 20 42 1 43 22 43 1 44 22 44 1 45 22 45 1 46 23 46 1 47 23 47 1 48 23 48 1 49 24 26 ar 50 24 49 1 51 25 26 ar 52 25 50 1 53 26 51 1