@MOLECULE [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(4-methyl-1-piperidinyl)ethoxy]phenyl}methanone 64 68 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.1392 -2.0362 0.3867 C.ar 1 UNL1111111111 -0.0888 2 C -2.5400 -3.1125 1.0574 C.ar 1 UNL1111111111 -0.0556 3 C -2.9097 -4.4038 0.7329 C.ar 1 UNL1111111111 -0.2455 4 C 9.0695 -2.4172 0.6961 C.3 1 UNL1111111111 -0.4582 5 C -1.8991 -0.1278 1.5650 C.2 1 UNL1111111111 0.4938 6 C 1.8428 1.2001 0.0792 C.ar 1 UNL1111111111 0.3112 7 C 1.3240 1.7635 1.2594 C.ar 1 UNL1111111111 -0.2823 8 C 0.1030 1.3121 1.7304 C.ar 1 UNL1111111111 -0.0084 9 C 3.8066 1.0136 -1.2603 C.3 1 UNL1111111111 -0.0457 10 O -2.1653 -0.0760 2.7423 O.2 1 UNL1111111111 -0.4335 11 C -2.8883 -0.6280 0.5799 C.ar 1 UNL1111111111 -0.1565 12 C -3.6375 0.1853 -0.2076 C.ar 1 UNL1111111111 -0.0797 13 C -3.6427 1.6313 -0.2294 C.ar 1 UNL1111111111 -0.1020 14 C -3.3148 2.3352 -1.3963 C.ar 1 UNL1111111111 -0.0600 15 C -3.2956 3.7228 -1.3943 C.ar 1 UNL1111111111 -0.2548 16 C -3.6138 4.3913 -0.2063 C.ar 1 UNL1111111111 0.3069 17 O -3.5839 5.7463 -0.2809 O.3 1 UNL1111111111 -0.4731 18 C -3.9397 3.7143 0.9709 C.ar 1 UNL1111111111 -0.3137 19 C -3.9488 2.3244 0.9485 C.ar 1 UNL1111111111 -0.0475 20 S -4.7118 -0.7546 -1.2547 S.2 1 UNL1111111111 0.1765 21 C -4.1175 -2.2748 -0.6009 C.ar 1 UNL1111111111 -0.0423 22 C -4.5083 -3.5638 -0.9460 C.ar 1 UNL1111111111 -0.3216 23 C -3.8867 -4.6063 -0.2632 C.ar 1 UNL1111111111 0.3065 24 O -4.1759 -5.9086 -0.5086 O.3 1 UNL1111111111 -0.4691 25 C -0.6051 0.3278 1.0268 C.ar 1 UNL1111111111 -0.2406 26 C 1.1454 0.2227 -0.6380 C.ar 1 UNL1111111111 -0.3250 27 C -0.0874 -0.2027 -0.1553 C.ar 1 UNL1111111111 -0.0179 28 O 3.0380 1.7191 -0.2769 O.3 1 UNL1111111111 -0.3494 29 C 5.2369 1.5393 -1.0262 C.3 1 UNL1111111111 -0.1379 30 N 6.0412 0.4132 -0.4998 N.3 1 UNL1111111111 -0.4303 31 C 6.7638 -0.2875 -1.5888 C.3 1 UNL1111111111 -0.1097 32 C 7.4384 -1.5488 -1.0191 C.3 1 UNL1111111111 -0.2907 33 C 8.4227 -1.1650 0.0981 C.3 1 UNL1111111111 -0.0751 34 C 7.6571 -0.3866 1.1802 C.3 1 UNL1111111111 -0.2902 35 C 6.9712 0.8489 0.5687 C.3 1 UNL1111111111 -0.1057 36 H -1.7961 -2.9211 1.8332 H 1 UNL1111111111 0.1698 37 H -2.4717 -5.2679 1.2287 H 1 UNL1111111111 0.1811 38 H 9.6321 -2.9740 -0.0608 H 1 UNL1111111111 0.1433 39 H 9.7663 -2.1589 1.5011 H 1 UNL1111111111 0.1447 40 H 8.3192 -3.0967 1.1154 H 1 UNL1111111111 0.1482 41 H 1.8909 2.5272 1.7840 H 1 UNL1111111111 0.1744 42 H -0.3172 1.7150 2.6565 H 1 UNL1111111111 0.1669 43 H 3.7455 -0.0778 -1.0883 H 1 UNL1111111111 0.1572 44 H 3.4076 1.2775 -2.2512 H 1 UNL1111111111 0.1240 45 H -3.0611 1.7933 -2.3084 H 1 UNL1111111111 0.1594 46 H -3.0379 4.2922 -2.2832 H 1 UNL1111111111 0.1755 47 H -3.8054 6.1747 0.5809 H 1 UNL1111111111 0.3286 48 H -4.1768 4.2537 1.8811 H 1 UNL1111111111 0.1645 49 H -4.1911 1.7650 1.8566 H 1 UNL1111111111 0.1705 50 H -5.2595 -3.7529 -1.7037 H 1 UNL1111111111 0.1683 51 H -4.8848 -6.0171 -1.1875 H 1 UNL1111111111 0.3289 52 H 1.5433 -0.1974 -1.5542 H 1 UNL1111111111 0.1648 53 H -0.6491 -0.9622 -0.7048 H 1 UNL1111111111 0.1573 54 H 5.6484 1.9806 -1.9557 H 1 UNL1111111111 0.1262 55 H 5.1905 2.3729 -0.2850 H 1 UNL1111111111 0.1629 56 H 6.0214 -0.5814 -2.3619 H 1 UNL1111111111 0.1320 57 H 7.5198 0.3567 -2.0857 H 1 UNL1111111111 0.1107 58 H 6.6638 -2.2315 -0.6182 H 1 UNL1111111111 0.1550 59 H 7.9552 -2.0962 -1.8251 H 1 UNL1111111111 0.1325 60 H 9.2214 -0.5122 -0.3266 H 1 UNL1111111111 0.1275 61 H 6.8916 -1.0399 1.6429 H 1 UNL1111111111 0.1564 62 H 8.3360 -0.0763 1.9922 H 1 UNL1111111111 0.1344 63 H 7.7337 1.5694 0.2061 H 1 UNL1111111111 0.1096 64 H 6.3738 1.3630 1.3549 H 1 UNL1111111111 0.1412 @BOND 1 1 2 ar 2 2 3 ar 3 2 36 1 4 3 37 1 5 4 38 1 6 4 39 1 7 4 40 1 8 5 25 1 9 6 28 1 10 7 6 ar 11 7 41 1 12 8 7 ar 13 8 42 1 14 9 29 1 15 9 43 1 16 9 44 1 17 10 5 2 18 11 1 ar 19 11 5 1 20 12 11 ar 21 13 12 1 22 13 14 ar 23 14 45 1 24 15 14 ar 25 15 46 1 26 16 15 ar 27 17 16 1 28 17 47 1 29 18 19 ar 30 18 16 ar 31 18 48 1 32 19 13 ar 33 19 49 1 34 20 12 ar 35 20 21 ar 36 21 22 ar 37 21 1 ar 38 22 23 ar 39 22 50 1 40 23 24 1 41 23 3 ar 42 24 51 1 43 25 8 ar 44 25 27 ar 45 26 6 ar 46 26 52 1 47 27 26 ar 48 27 53 1 49 28 9 1 50 29 30 1 51 29 54 1 52 29 55 1 53 30 31 1 54 30 35 1 55 31 32 1 56 31 56 1 57 31 57 1 58 32 33 1 59 32 58 1 60 32 59 1 61 33 4 1 62 33 60 1 63 34 33 1 64 34 61 1 65 34 62 1 66 35 34 1 67 35 63 1 68 35 64 1