@MOLECULE n-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl}-4-[(3r,5s)-3,5-dimethyl-1-piperazinyl]benzamide 67 70 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5066 0.1707 1.6818 O.2 1 UNL11 -0.4853 2 O -6.3610 -3.4192 0.3508 O.3 1 UNL11 -0.3116 3 O -3.1543 -1.4436 -2.2751 O.3 1 UNL11 -0.3091 4 N 5.6819 -0.2206 0.1756 N.pl3 1 UNL11 -0.4365 5 N 8.4243 -0.8061 -0.2994 N.3 1 UNL11 -0.5818 6 N -0.4556 1.7955 0.0929 N.am 1 UNL11 -0.5517 7 N -3.6119 3.2930 -0.1338 N.ar 1 UNL11 -0.2152 8 N -2.2969 3.2112 -0.4740 N.ar 1 UNL11 -0.3565 9 C 7.6873 -1.5144 0.7746 C.3 1 UNL11 0.0657 10 C 7.9253 0.5833 -0.4388 C.3 1 UNL11 0.0647 11 C 6.1882 -1.5949 0.3596 C.3 1 UNL11 -0.1109 12 C 6.4358 0.4955 -0.8754 C.3 1 UNL11 -0.1036 13 C 8.7396 1.3048 -1.5167 C.3 1 UNL11 -0.4714 14 C 8.2547 -2.9299 0.9196 C.3 1 UNL11 -0.4708 15 C 4.3022 0.0033 0.2446 C.ar 1 UNL11 0.2697 16 C 3.3770 -1.0400 0.4547 C.ar 1 UNL11 -0.3101 17 C 3.8306 1.3372 0.2208 C.ar 1 UNL11 -0.2817 18 C 2.0338 -0.7529 0.6513 C.ar 1 UNL11 -0.0005 19 C 2.4870 1.6089 0.4150 C.ar 1 UNL11 -0.0426 20 C 1.5793 0.5675 0.6211 C.ar 1 UNL11 -0.2326 21 C 0.1418 0.7998 0.8774 C.2 1 UNL11 0.6038 22 C -5.3552 2.1246 1.2576 C.3 1 UNL11 -0.2655 23 C -6.2577 1.5300 0.1571 C.3 1 UNL11 -0.2847 24 C -3.9689 2.3084 0.7753 C.ar 1 UNL11 0.0906 25 C -1.7936 2.1534 0.2446 C.ar 1 UNL11 0.2597 26 C -5.7671 0.1674 -0.2443 C.ar 1 UNL11 0.1502 27 C -2.8179 1.5657 1.0489 C.ar 1 UNL11 -0.3047 28 C -4.7029 0.0630 -1.1378 C.ar 1 UNL11 -0.3831 29 C -6.3666 -0.9717 0.2945 C.ar 1 UNL11 -0.3943 30 C -5.8723 -2.2257 -0.0776 C.ar 1 UNL11 0.3189 31 C -4.2089 -1.2058 -1.4558 C.ar 1 UNL11 0.3254 32 C -4.7899 -2.3720 -0.9496 C.ar 1 UNL11 -0.3715 33 C -7.4397 -3.3881 1.2745 C.3 1 UNL11 -0.2030 34 C -2.3552 -0.3236 -2.6390 C.3 1 UNL11 -0.2042 35 H 7.7563 -0.9717 1.7535 H 1 UNL11 0.1243 36 H 7.9847 1.1485 0.5276 H 1 UNL11 0.1246 37 H 6.3636 -0.0386 -1.8502 H 1 UNL11 0.1452 38 H 6.0295 1.5160 -1.0232 H 1 UNL11 0.1435 39 H 5.6222 -2.0978 1.1732 H 1 UNL11 0.1480 40 H 6.0858 -2.2013 -0.5664 H 1 UNL11 0.1428 41 H 9.4286 -0.8329 -0.1476 H 1 UNL11 0.2633 42 H 8.7550 0.7289 -2.4523 H 1 UNL11 0.1648 43 H 9.7811 1.4441 -1.2069 H 1 UNL11 0.1488 44 H 9.2850 -2.9140 1.2914 H 1 UNL11 0.1484 45 H 7.6612 -3.5300 1.6175 H 1 UNL11 0.1531 46 H 8.2681 -3.4507 -0.0477 H 1 UNL11 0.1645 47 H 8.3254 2.2942 -1.7366 H 1 UNL11 0.1517 48 H 3.7006 -2.0761 0.4579 H 1 UNL11 0.1618 49 H 4.5318 2.1570 0.0894 H 1 UNL11 0.1621 50 H 1.3202 -1.5638 0.8313 H 1 UNL11 0.1698 51 H 2.1474 2.6460 0.4274 H 1 UNL11 0.1504 52 H -5.3538 1.4433 2.1405 H 1 UNL11 0.1775 53 H -5.7851 3.0796 1.6238 H 1 UNL11 0.1516 54 H -7.3025 1.4815 0.5248 H 1 UNL11 0.1518 55 H -6.2872 2.2030 -0.7224 H 1 UNL11 0.1488 56 H 0.0871 2.3282 -0.5785 H 1 UNL11 0.3250 57 H -2.7127 0.7228 1.7017 H 1 UNL11 0.2108 58 H -4.1651 4.0061 -0.5555 H 1 UNL11 0.3267 59 H -4.2515 0.9557 -1.5542 H 1 UNL11 0.1741 60 H -7.1905 -0.8765 0.9873 H 1 UNL11 0.1633 61 H -4.4062 -3.3516 -1.2126 H 1 UNL11 0.1909 62 H -7.6161 -4.4562 1.4604 H 1 UNL11 0.1504 63 H -8.3245 -2.9269 0.8261 H 1 UNL11 0.1317 64 H -7.1481 -2.8821 2.2000 H 1 UNL11 0.1344 65 H -1.5203 -0.7979 -3.1707 H 1 UNL11 0.1510 66 H -1.9925 0.2084 -1.7511 H 1 UNL11 0.1482 67 H -2.9082 0.3465 -3.3029 H 1 UNL11 0.1310 @BOND 1 1 21 2 2 2 30 1 3 2 33 1 4 3 31 1 5 3 34 1 6 4 11 1 7 4 12 1 8 4 15 1 9 5 9 1 10 5 10 1 11 5 41 1 12 6 21 am 13 6 25 1 14 6 56 1 15 7 8 ar 16 7 24 ar 17 7 58 1 18 8 25 ar 19 9 11 1 20 9 14 1 21 9 35 1 22 10 12 1 23 10 13 1 24 10 36 1 25 11 39 1 26 11 40 1 27 12 37 1 28 12 38 1 29 13 42 1 30 13 43 1 31 13 47 1 32 14 44 1 33 14 45 1 34 14 46 1 35 15 16 ar 36 15 17 ar 37 16 18 ar 38 16 48 1 39 17 19 ar 40 17 49 1 41 18 20 ar 42 18 50 1 43 19 20 ar 44 19 51 1 45 20 21 1 46 22 23 1 47 22 24 1 48 22 52 1 49 22 53 1 50 23 26 1 51 23 54 1 52 23 55 1 53 24 27 ar 54 25 27 ar 55 26 28 ar 56 26 29 ar 57 27 57 1 58 28 31 ar 59 28 59 1 60 29 30 ar 61 29 60 1 62 30 32 ar 63 31 32 ar 64 32 61 1 65 33 62 1 66 33 63 1 67 33 64 1 68 34 65 1 69 34 66 1 70 34 67 1