@MOLECULE 6-{4-[2-(1-piperidinyl)ethoxy]phenyl}-3-(4-pyridinyl)pyrazolo[1,5-a]pyrimidine 55 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.0276 1.2626 -0.3339 O.3 1 UNL1 -0.3556 2 N -7.2069 -0.3621 -0.0829 N.3 1 UNL1 -0.4291 3 N 3.6723 1.5663 0.1923 N.ar 1 UNL1 -0.0949 4 N 3.4192 -0.8141 -0.1369 N.ar 1 UNL1 -0.3516 5 N 4.6387 2.5116 0.3497 N.ar 1 UNL1 -0.2609 6 N 8.6821 -2.5066 -0.1654 N.ar 1 UNL1 -0.3887 7 C -7.9478 -0.2540 1.1983 C.3 1 UNL1 -0.1067 8 C -8.1376 -0.5078 -1.2291 C.3 1 UNL1 -0.1045 9 C -8.7708 -1.5361 1.4227 C.3 1 UNL1 -0.2734 10 C -8.9604 -1.7979 -1.0545 C.3 1 UNL1 -0.2728 11 C -9.7462 -1.7529 0.2605 C.3 1 UNL1 -0.2632 12 C -6.3000 0.7930 -0.2694 C.3 1 UNL1 -0.1429 13 C -4.9396 0.3828 0.3329 C.3 1 UNL1 -0.0416 14 C -2.7038 1.0367 -0.1758 C.ar 1 UNL1 0.2818 15 C 0.0564 0.8080 -0.0567 C.ar 1 UNL1 -0.1007 16 C -1.9092 1.8545 -0.9999 C.ar 1 UNL1 -0.2488 17 C -2.1361 0.1159 0.7067 C.ar 1 UNL1 -0.2993 18 C 1.5077 0.6761 -0.0067 C.ar 1 UNL1 -0.1441 19 C -0.5322 1.7322 -0.9331 C.ar 1 UNL1 -0.0725 20 C -0.7490 0.0100 0.7587 C.ar 1 UNL1 -0.0633 21 C 4.2386 0.2571 0.0364 C.ar 1 UNL1 0.2316 22 C 5.6357 0.4409 0.1132 C.ar 1 UNL1 -0.2206 23 C 2.3175 1.7791 0.1742 C.ar 1 UNL1 0.0631 24 C 2.1141 -0.6167 -0.1577 C.ar 1 UNL1 0.0905 25 C 6.6669 -0.5602 0.0191 C.ar 1 UNL1 0.1188 26 C 5.8175 1.8479 0.3052 C.ar 1 UNL1 0.0149 27 C 7.9771 -0.2787 0.4308 C.ar 1 UNL1 -0.2653 28 C 6.3886 -1.8369 -0.4854 C.ar 1 UNL1 -0.2483 29 C 8.9480 -1.2794 0.3203 C.ar 1 UNL1 0.0611 30 C 7.4222 -2.7752 -0.5589 C.ar 1 UNL1 0.0640 31 H -8.6140 0.6343 1.2340 H 1 UNL1 0.1135 32 H -7.2034 -0.1410 2.0162 H 1 UNL1 0.1324 33 H -7.5295 -0.5805 -2.1578 H 1 UNL1 0.1367 34 H -8.8162 0.3638 -1.3429 H 1 UNL1 0.1131 35 H -9.3120 -1.4717 2.3821 H 1 UNL1 0.1319 36 H -8.0862 -2.4029 1.5039 H 1 UNL1 0.1509 37 H -8.2782 -2.6711 -1.0554 H 1 UNL1 0.1519 38 H -9.6393 -1.9294 -1.9145 H 1 UNL1 0.1327 39 H -10.3112 -2.6918 0.4033 H 1 UNL1 0.1343 40 H -10.4988 -0.9438 0.2327 H 1 UNL1 0.1345 41 H -6.6664 1.7328 0.1897 H 1 UNL1 0.1308 42 H -6.1563 1.0151 -1.3517 H 1 UNL1 0.1572 43 H -4.7001 -0.6699 0.0965 H 1 UNL1 0.1510 44 H -4.8816 0.5591 1.4173 H 1 UNL1 0.1275 45 H -2.3865 2.5613 -1.6741 H 1 UNL1 0.1738 46 H -2.7511 -0.5070 1.3476 H 1 UNL1 0.1674 47 H 0.0990 2.3501 -1.5731 H 1 UNL1 0.1571 48 H -0.2902 -0.6982 1.4500 H 1 UNL1 0.1551 49 H 1.9497 2.8038 0.3065 H 1 UNL1 0.2035 50 H 1.4826 -1.5052 -0.3080 H 1 UNL1 0.1924 51 H 6.7537 2.3782 0.4014 H 1 UNL1 0.1936 52 H 8.2390 0.6916 0.8373 H 1 UNL1 0.1629 53 H 5.3826 -2.1003 -0.8111 H 1 UNL1 0.1894 54 H 9.9844 -1.1068 0.6302 H 1 UNL1 0.1637 55 H 7.2504 -3.7858 -0.9454 H 1 UNL1 0.1658 @BOND 1 33 8 1 2 38 10 1 3 45 16 1 4 47 19 1 5 42 12 1 6 34 8 1 7 8 10 1 8 8 2 1 9 37 10 1 10 10 11 1 11 16 19 ar 12 16 14 ar 13 55 30 1 14 19 15 ar 15 53 28 1 16 30 28 ar 17 30 6 ar 18 28 25 ar 19 1 14 1 20 1 13 1 21 50 24 1 22 12 2 1 23 12 41 1 24 12 13 1 25 14 17 ar 26 6 29 ar 27 24 4 ar 28 24 18 ar 29 4 21 ar 30 2 7 1 31 15 18 1 32 15 20 ar 33 18 23 ar 34 25 22 1 35 25 27 ar 36 21 22 ar 37 21 3 ar 38 43 13 1 39 22 26 ar 40 23 3 ar 41 23 49 1 42 3 5 ar 43 40 11 1 44 11 39 1 45 11 9 1 46 26 5 ar 47 26 51 1 48 29 27 ar 49 29 54 1 50 13 44 1 51 27 52 1 52 17 20 ar 53 17 46 1 54 20 48 1 55 7 31 1 56 7 9 1 57 7 32 1 58 9 36 1 59 9 35 1