@MOLECULE 1-{4-[(2r)-2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl}-1-propanone 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3391 -4.9206 0.1584 O.3 1 UNL1111111111 -0.5686 2 O 2.0972 -2.5690 0.0763 O.3 1 UNL1111111111 -0.3644 3 O 6.1678 2.0751 0.9521 O.2 1 UNL1111111111 -0.4602 4 N -1.9251 -2.1015 -0.2193 N.3 1 UNL1111111111 -0.4310 5 N -3.7417 0.0848 0.1397 N.pl3 1 UNL1111111111 -0.4327 6 C -2.2412 -1.5809 1.1339 C.3 1 UNL1111111111 -0.1196 7 C -3.1101 -1.9471 -1.0988 C.3 1 UNL1111111111 -0.1170 8 C -2.5647 -0.0707 1.0214 C.3 1 UNL1111111111 -0.1045 9 C -3.4430 -0.4405 -1.2145 C.3 1 UNL1111111111 -0.0978 10 C -1.4873 -3.5144 -0.1651 C.3 1 UNL1111111111 -0.1560 11 C -0.0060 -3.5537 0.2773 C.3 1 UNL1111111111 0.1390 12 C -4.3646 1.3625 0.1386 C.ar 1 UNL1111111111 0.1944 13 C 0.8716 -2.6982 -0.6476 C.3 1 UNL1111111111 -0.1024 14 C -3.8156 2.4841 0.7776 C.ar 1 UNL1111111111 -0.2636 15 C -5.6359 1.4608 -0.4593 C.ar 1 UNL1111111111 -0.2288 16 C -4.5328 3.6775 0.8210 C.ar 1 UNL1111111111 -0.0917 17 C -6.3343 2.6595 -0.4121 C.ar 1 UNL1111111111 -0.0971 18 C -5.7874 3.7731 0.2269 C.ar 1 UNL1111111111 -0.2062 19 C 2.7855 -1.4085 -0.0037 C.ar 1 UNL1111111111 0.3125 20 C 2.5103 -0.3559 -0.8796 C.ar 1 UNL1111111111 -0.3231 21 C 3.8670 -1.3573 0.8939 C.ar 1 UNL1111111111 -0.2864 22 C 4.4085 0.8411 0.0309 C.ar 1 UNL1111111111 -0.2534 23 C 3.3307 0.7680 -0.8505 C.ar 1 UNL1111111111 -0.0293 24 C 4.6697 -0.2293 0.9009 C.ar 1 UNL1111111111 -0.0083 25 C 5.3092 2.0141 0.1029 C.2 1 UNL1111111111 0.4809 26 C 5.1302 3.1212 -0.9098 C.3 1 UNL1111111111 -0.3570 27 C 6.1797 4.2110 -0.7172 C.3 1 UNL1111111111 -0.4151 28 H -3.0940 -2.1115 1.6102 H 1 UNL1111111111 0.1337 29 H -1.3543 -1.7142 1.7882 H 1 UNL1111111111 0.1404 30 H -2.8636 -2.3448 -2.1059 H 1 UNL1111111111 0.1381 31 H -3.9985 -2.5001 -0.7245 H 1 UNL1111111111 0.1323 32 H -2.8135 0.3230 2.0312 H 1 UNL1111111111 0.1458 33 H -1.6732 0.4770 0.6452 H 1 UNL1111111111 0.1343 34 H -2.5916 0.0994 -1.6853 H 1 UNL1111111111 0.1349 35 H -4.3268 -0.3056 -1.8721 H 1 UNL1111111111 0.1407 36 H -2.0923 -4.1490 0.5165 H 1 UNL1111111111 0.1408 37 H -1.5714 -3.9793 -1.1726 H 1 UNL1111111111 0.1572 38 H 0.1260 -3.2546 1.3412 H 1 UNL1111111111 0.1348 39 H 1.1136 -3.2075 -1.5952 H 1 UNL1111111111 0.1487 40 H 0.3908 -1.7223 -0.8501 H 1 UNL1111111111 0.1692 41 H -2.8318 2.4413 1.2342 H 1 UNL1111111111 0.1565 42 H -6.0788 0.5882 -0.9334 H 1 UNL1111111111 0.1610 43 H 1.2987 -5.0419 0.3180 H 1 UNL1111111111 0.3316 44 H -4.1022 4.5437 1.3223 H 1 UNL1111111111 0.1473 45 H -7.3193 2.7290 -0.8723 H 1 UNL1111111111 0.1476 46 H -6.3401 4.7076 0.2614 H 1 UNL1111111111 0.1519 47 H 1.6808 -0.4026 -1.5778 H 1 UNL1111111111 0.1696 48 H 4.0560 -2.1937 1.5613 H 1 UNL1111111111 0.1761 49 H 3.1161 1.5932 -1.5314 H 1 UNL1111111111 0.1475 50 H 5.5186 -0.1598 1.5909 H 1 UNL1111111111 0.1754 51 H 4.1129 3.5520 -0.8153 H 1 UNL1111111111 0.1602 52 H 5.1980 2.7041 -1.9350 H 1 UNL1111111111 0.1613 53 H 7.1961 3.8072 -0.8198 H 1 UNL1111111111 0.1560 54 H 6.0608 5.0206 -1.4435 H 1 UNL1111111111 0.1376 55 H 6.1219 4.6451 0.2904 H 1 UNL1111111111 0.1568 @BOND 1 1 11 1 2 1 43 1 3 2 13 1 4 2 19 1 5 3 25 2 6 4 6 1 7 4 7 1 8 4 10 1 9 5 8 1 10 5 9 1 11 5 12 1 12 6 8 1 13 6 28 1 14 6 29 1 15 7 9 1 16 7 30 1 17 7 31 1 18 8 32 1 19 8 33 1 20 9 34 1 21 9 35 1 22 10 11 1 23 10 36 1 24 10 37 1 25 11 13 1 26 11 38 1 27 12 14 ar 28 12 15 ar 29 13 39 1 30 13 40 1 31 14 16 ar 32 14 41 1 33 15 17 ar 34 15 42 1 35 16 18 ar 36 16 44 1 37 17 18 ar 38 17 45 1 39 18 46 1 40 19 20 ar 41 19 21 ar 42 20 23 ar 43 20 47 1 44 21 24 ar 45 21 48 1 46 22 23 ar 47 22 24 ar 48 22 25 1 49 23 49 1 50 24 50 1 51 25 26 1 52 26 27 1 53 26 51 1 54 26 52 1 55 27 53 1 56 27 54 1 57 27 55 1