@MOLECULE (1s)-1-{2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl}-n-methyl-3,4-dihydro-1h-isochromene-6-carboxamide 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1033 3.3516 0.2489 O.3 1 UNL1111111111 -0.3891 2 O 8.4963 -1.6312 0.1652 O.3 1 UNL1111111111 -0.3175 3 O -5.6115 -3.4176 -1.2826 O.2 1 UNL1111111111 -0.5227 4 N 0.7610 1.6077 0.2586 N.3 1 UNL1111111111 -0.4217 5 N 3.2516 0.1676 0.2505 N.pl3 1 UNL1111111111 -0.4170 6 N -5.8939 -3.0133 0.9259 N.am 1 UNL1111111111 -0.5885 7 C -0.7210 1.6782 0.3559 C.3 1 UNL1111111111 -0.1142 8 C 1.3235 1.0211 1.5046 C.3 1 UNL1111111111 -0.1196 9 C 1.1880 0.7918 -0.9066 C.3 1 UNL1111111111 -0.1193 10 C -1.2986 2.4048 -0.8703 C.3 1 UNL1111111111 -0.3005 11 C -2.8323 2.4668 -0.8321 C.3 1 UNL1111111111 0.0943 12 C 2.8690 0.9984 1.4156 C.3 1 UNL1111111111 -0.1044 13 C 2.7313 0.7892 -0.9861 C.3 1 UNL1111111111 -0.1161 14 C -3.4972 1.1248 -0.6740 C.ar 1 UNL1111111111 -0.0473 15 C -4.5121 0.9518 0.2732 C.ar 1 UNL1111111111 0.0107 16 C -4.9068 2.0669 1.1877 C.3 1 UNL1111111111 -0.3263 17 C -4.4667 3.4115 0.6033 C.3 1 UNL1111111111 -0.0363 18 C 4.6396 -0.1622 0.2168 C.ar 1 UNL1111111111 0.1091 19 C -3.1441 0.0649 -1.5112 C.ar 1 UNL1111111111 -0.1688 20 C -5.1592 -0.2794 0.3752 C.ar 1 UNL1111111111 -0.1633 21 C -4.7780 -1.3435 -0.4405 C.ar 1 UNL1111111111 -0.1247 22 C -3.7767 -1.1702 -1.3954 C.ar 1 UNL1111111111 -0.0954 23 C 5.5279 0.3596 -0.7266 C.ar 1 UNL1111111111 -0.1813 24 C 5.0825 -1.1332 1.1365 C.ar 1 UNL1111111111 -0.1345 25 C 6.8423 -0.1016 -0.7947 C.ar 1 UNL1111111111 -0.2590 26 C 6.3863 -1.5884 1.0883 C.ar 1 UNL1111111111 -0.2147 27 C -5.4451 -2.6737 -0.3358 C.2 1 UNL1111111111 0.5796 28 C 7.2552 -1.0730 0.1093 C.ar 1 UNL1111111111 0.2106 29 C -6.6184 -4.2632 1.1452 C.3 1 UNL1111111111 -0.2201 30 C 9.4537 -1.1657 -0.7734 C.3 1 UNL1111111111 -0.2022 31 H -0.9755 2.2641 1.2700 H 1 UNL1111111111 0.1537 32 H -1.1926 0.6785 0.4711 H 1 UNL1111111111 0.1223 33 H 1.0166 1.6563 2.3616 H 1 UNL1111111111 0.1369 34 H 0.9525 -0.0092 1.6970 H 1 UNL1111111111 0.1285 35 H 0.8113 -0.2516 -0.8600 H 1 UNL1111111111 0.1310 36 H 0.7975 1.2550 -1.8389 H 1 UNL1111111111 0.1337 37 H -0.8879 3.4356 -0.9041 H 1 UNL1111111111 0.1725 38 H -0.9827 1.9186 -1.8118 H 1 UNL1111111111 0.1466 39 H -3.2177 2.9558 -1.7639 H 1 UNL1111111111 0.1316 40 H 3.2948 0.5608 2.3418 H 1 UNL1111111111 0.1394 41 H 3.2588 2.0372 1.3302 H 1 UNL1111111111 0.1332 42 H 3.0991 1.8296 -1.1269 H 1 UNL1111111111 0.1304 43 H 3.0516 0.1903 -1.8653 H 1 UNL1111111111 0.1407 44 H -4.4261 1.9123 2.1792 H 1 UNL1111111111 0.1665 45 H -5.9982 2.0740 1.3767 H 1 UNL1111111111 0.1552 46 H -5.0788 3.7098 -0.2636 H 1 UNL1111111111 0.1215 47 H -4.4798 4.2214 1.3579 H 1 UNL1111111111 0.1425 48 H -2.3666 0.1981 -2.2625 H 1 UNL1111111111 0.1599 49 H -5.9759 -0.3929 1.0863 H 1 UNL1111111111 0.1539 50 H -3.5043 -2.0015 -2.0516 H 1 UNL1111111111 0.1769 51 H 5.2096 1.1353 -1.4196 H 1 UNL1111111111 0.1549 52 H 4.3855 -1.5375 1.8689 H 1 UNL1111111111 0.1660 53 H 7.5133 0.3033 -1.5451 H 1 UNL1111111111 0.1601 54 H 6.7524 -2.3442 1.7831 H 1 UNL1111111111 0.1710 55 H -5.6646 -2.4695 1.7370 H 1 UNL1111111111 0.3076 56 H -5.9402 -5.0621 1.4919 H 1 UNL1111111111 0.1389 57 H -7.4142 -4.1164 1.8955 H 1 UNL1111111111 0.1356 58 H -7.0924 -4.6098 0.2052 H 1 UNL1111111111 0.1732 59 H 9.6414 -0.0948 -0.6473 H 1 UNL1111111111 0.1326 60 H 10.3441 -1.7445 -0.4981 H 1 UNL1111111111 0.1501 61 H 9.1442 -1.4013 -1.7970 H 1 UNL1111111111 0.1332 @BOND 1 1 11 1 2 1 17 1 3 2 28 1 4 2 30 1 5 3 27 2 6 4 7 1 7 4 8 1 8 4 9 1 9 5 12 1 10 5 13 1 11 5 18 1 12 6 27 am 13 6 29 1 14 6 55 1 15 7 10 1 16 7 31 1 17 7 32 1 18 8 12 1 19 8 33 1 20 8 34 1 21 9 13 1 22 9 35 1 23 9 36 1 24 10 11 1 25 10 37 1 26 10 38 1 27 11 14 1 28 11 39 1 29 12 40 1 30 12 41 1 31 13 42 1 32 13 43 1 33 14 15 ar 34 14 19 ar 35 15 16 1 36 15 20 ar 37 16 17 1 38 16 44 1 39 16 45 1 40 17 46 1 41 17 47 1 42 18 23 ar 43 18 24 ar 44 19 22 ar 45 19 48 1 46 20 21 ar 47 20 49 1 48 21 22 ar 49 21 27 1 50 22 50 1 51 23 25 ar 52 23 51 1 53 24 26 ar 54 24 52 1 55 25 28 ar 56 25 53 1 57 26 28 ar 58 26 54 1 59 29 56 1 60 29 57 1 61 29 58 1 62 30 59 1 63 30 60 1 64 30 61 1