@MOLECULE 1-[2-(3,4-dihydro-1h-isochromen-1-yl)ethyl]-4-(4-fluorophenyl)piperazine 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 F -7.1307 1.4814 -0.5680 F 1 UNL1111111111 -0.1737 2 O 4.5556 -1.3756 -0.6312 O.3 1 UNL1111111111 -0.4243 3 N 0.4702 -1.7391 0.4237 N.3 1 UNL1111111111 -0.4377 4 N -2.2923 -1.0052 0.3035 N.pl3 1 UNL1111111111 -0.4265 5 C 1.6630 -2.5829 0.6748 C.3 1 UNL1111111111 -0.1117 6 C -0.3008 -1.4913 1.6642 C.3 1 UNL1111111111 -0.1149 7 C -0.4193 -2.3177 -0.6091 C.3 1 UNL1111111111 -0.1171 8 C 2.8673 -1.6604 0.9359 C.3 1 UNL1111111111 -0.2984 9 C 3.2585 -0.8690 -0.3286 C.3 1 UNL1111111111 0.1274 10 C -1.4138 -0.4569 1.3601 C.3 1 UNL1111111111 -0.1070 11 C -1.5159 -1.2752 -0.9326 C.3 1 UNL1111111111 -0.0980 12 C 3.2194 0.6164 -0.0984 C.ar 1 UNL1111111111 -0.0806 13 C 4.3726 1.3984 -0.1868 C.ar 1 UNL1111111111 0.0205 14 C 5.6710 0.7561 -0.5501 C.3 1 UNL1111111111 -0.3344 15 C 5.3831 -0.5068 -1.3700 C.3 1 UNL1111111111 -0.0207 16 C -3.4988 -0.2905 0.0630 C.ar 1 UNL1111111111 0.1618 17 C 1.9938 1.2185 0.1893 C.ar 1 UNL1111111111 -0.1526 18 C 4.3010 2.7728 0.0539 C.ar 1 UNL1111111111 -0.1893 19 C -3.7588 0.9847 0.5869 C.ar 1 UNL1111111111 -0.2177 20 C -4.4972 -0.9607 -0.6731 C.ar 1 UNL1111111111 -0.1816 21 C 1.9218 2.5884 0.4198 C.ar 1 UNL1111111111 -0.1642 22 C 3.0789 3.3647 0.3606 C.ar 1 UNL1111111111 -0.1399 23 C -4.9962 1.5895 0.3814 C.ar 1 UNL1111111111 -0.1738 24 C -5.7303 -0.3646 -0.8915 C.ar 1 UNL1111111111 -0.1752 25 C -5.9550 0.9055 -0.3588 C.ar 1 UNL1111111111 0.1461 26 H 1.8784 -3.2243 -0.2074 H 1 UNL1111111111 0.1398 27 H 1.5253 -3.2762 1.5314 H 1 UNL1111111111 0.1215 28 H 0.3845 -1.0757 2.4333 H 1 UNL1111111111 0.1422 29 H -0.7556 -2.4155 2.0809 H 1 UNL1111111111 0.1270 30 H -0.8880 -3.2734 -0.2934 H 1 UNL1111111111 0.1266 31 H 0.1757 -2.5175 -1.5255 H 1 UNL1111111111 0.1393 32 H 2.6516 -0.9698 1.7713 H 1 UNL1111111111 0.1550 33 H 3.7376 -2.2678 1.2634 H 1 UNL1111111111 0.1642 34 H 2.6137 -1.1342 -1.2014 H 1 UNL1111111111 0.1405 35 H -2.0179 -0.2923 2.2786 H 1 UNL1111111111 0.1423 36 H -0.9521 0.5131 1.0708 H 1 UNL1111111111 0.1334 37 H -1.0467 -0.3487 -1.3336 H 1 UNL1111111111 0.1396 38 H -2.1904 -1.6750 -1.7172 H 1 UNL1111111111 0.1383 39 H 6.3294 1.4441 -1.1122 H 1 UNL1111111111 0.1529 40 H 6.2252 0.4860 0.3745 H 1 UNL1111111111 0.1671 41 H 4.9133 -0.2692 -2.3400 H 1 UNL1111111111 0.1201 42 H 6.2873 -1.1208 -1.5334 H 1 UNL1111111111 0.1378 43 H 1.0924 0.5996 0.2313 H 1 UNL1111111111 0.1805 44 H 5.2002 3.3811 -0.0020 H 1 UNL1111111111 0.1494 45 H -2.9982 1.5206 1.1499 H 1 UNL1111111111 0.1629 46 H -4.3015 -1.9629 -1.0535 H 1 UNL1111111111 0.1674 47 H 0.9650 3.0526 0.6454 H 1 UNL1111111111 0.1486 48 H 3.0266 4.4346 0.5483 H 1 UNL1111111111 0.1448 49 H -5.2010 2.5789 0.7883 H 1 UNL1111111111 0.1707 50 H -6.5033 -0.8795 -1.4603 H 1 UNL1111111111 0.1716 @BOND 1 1 25 1 2 2 9 1 3 2 15 1 4 3 5 1 5 3 6 1 6 3 7 1 7 4 10 1 8 4 11 1 9 4 16 1 10 5 8 1 11 5 26 1 12 5 27 1 13 6 10 1 14 6 28 1 15 6 29 1 16 7 11 1 17 7 30 1 18 7 31 1 19 8 9 1 20 8 32 1 21 8 33 1 22 9 12 1 23 9 34 1 24 10 35 1 25 10 36 1 26 11 37 1 27 11 38 1 28 12 13 ar 29 12 17 ar 30 13 14 1 31 13 18 ar 32 14 15 1 33 14 39 1 34 14 40 1 35 15 41 1 36 15 42 1 37 16 19 ar 38 16 20 ar 39 17 21 ar 40 17 43 1 41 18 22 ar 42 18 44 1 43 19 23 ar 44 19 45 1 45 20 24 ar 46 20 46 1 47 21 22 ar 48 21 47 1 49 22 48 1 50 23 25 ar 51 23 49 1 52 24 25 ar 53 24 50 1