@MOLECULE 1-(4-{3-[(4r)-3-acetyl-1-(2-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1h-pyrazol-4-yl]propyl}-1-piperazinyl)ethanone 67 70 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.2888 2.3826 1.5164 C.ar 1 UNL1111111111 0.0746 2 C 1.0123 1.8297 1.4042 C.ar 1 UNL1111111111 -0.2624 3 C 0.3116 1.8739 0.1882 C.ar 1 UNL1111111111 0.1516 4 C 0.9458 2.4978 -0.9061 C.ar 1 UNL1111111111 0.0974 5 C 2.2102 3.0675 -0.7973 C.ar 1 UNL1111111111 -0.1574 6 C 2.8821 3.0108 0.4200 C.ar 1 UNL1111111111 -0.2106 7 N -1.0168 1.3876 0.1574 N.pl3 1 UNL1111111111 -0.2443 8 N -1.6012 1.2179 -1.0724 N.2 1 UNL1111111111 -0.1196 9 C -2.4285 0.2115 -1.0704 C.2 1 UNL1111111111 -0.0817 10 C -2.4271 -0.5827 0.2401 C.3 1 UNL1111111111 0.0319 11 C -1.4016 0.2580 1.0753 C.3 1 UNL1111111111 -0.1609 12 C -3.7920 -0.4950 0.8771 C.ar 1 UNL1111111111 -0.0300 13 C -4.3743 0.7703 1.0294 C.ar 1 UNL1111111111 -0.1697 14 C -5.6334 0.9049 1.6029 C.ar 1 UNL1111111111 -0.1410 15 C -6.3279 -0.2249 2.0349 C.ar 1 UNL1111111111 -0.1465 16 C -5.7537 -1.4838 1.8886 C.ar 1 UNL1111111111 -0.1406 17 C -4.4904 -1.6198 1.3123 C.ar 1 UNL1111111111 -0.1494 18 C -3.2953 -0.1308 -2.2275 C.2 1 UNL1111111111 0.5115 19 C -3.6652 0.9924 -3.1382 C.3 1 UNL1111111111 -0.5337 20 O -3.6732 -1.2630 -2.3953 O.2 1 UNL1111111111 -0.4298 21 F 0.3503 2.5565 -2.0850 F 1 UNL1111111111 -0.1350 22 C 3.0154 2.2786 2.8129 C.3 1 UNL1111111111 -0.4548 23 C -1.9480 -2.0201 -0.0043 C.3 1 UNL1111111111 -0.2934 24 C -0.5894 -2.1240 -0.7089 C.3 1 UNL1111111111 -0.2768 25 C 0.5516 -2.4101 0.2857 C.3 1 UNL1111111111 -0.1167 26 N 1.8565 -2.2646 -0.4071 N.3 1 UNL1111111111 -0.4163 27 C 2.2031 -0.8356 -0.5991 C.3 1 UNL1111111111 -0.1658 28 C 2.9222 -2.9588 0.3606 C.3 1 UNL1111111111 -0.1524 29 C 4.2605 -2.8431 -0.4077 C.3 1 UNL1111111111 -0.0835 30 C 3.5437 -0.7368 -1.3683 C.3 1 UNL1111111111 -0.0818 31 N 4.6142 -1.4322 -0.6419 N.am 1 UNL1111111111 -0.4817 32 C 5.3367 -0.7861 0.3664 C.2 1 UNL1111111111 0.5940 33 C 5.5866 0.6884 0.2273 C.3 1 UNL1111111111 -0.5305 34 O 5.8268 -1.4360 1.2688 O.2 1 UNL1111111111 -0.5439 35 H 0.5555 1.3800 2.2842 H 1 UNL1111111111 0.1719 36 H 2.6693 3.5569 -1.6572 H 1 UNL1111111111 0.1718 37 H 3.8640 3.4693 0.5157 H 1 UNL1111111111 0.1609 38 H -0.5313 -0.3470 1.3899 H 1 UNL1111111111 0.1561 39 H -1.8618 0.6999 1.9815 H 1 UNL1111111111 0.1689 40 H -3.8383 1.6606 0.6958 H 1 UNL1111111111 0.1650 41 H -6.0769 1.8926 1.7139 H 1 UNL1111111111 0.1511 42 H -7.3139 -0.1211 2.4820 H 1 UNL1111111111 0.1486 43 H -6.2916 -2.3698 2.2211 H 1 UNL1111111111 0.1499 44 H -4.0707 -2.6188 1.2032 H 1 UNL1111111111 0.1580 45 H -2.7773 1.5659 -3.4549 H 1 UNL1111111111 0.1933 46 H -4.1785 0.6318 -4.0416 H 1 UNL1111111111 0.1805 47 H -4.3345 1.7066 -2.6351 H 1 UNL1111111111 0.1817 48 H 2.3884 2.5957 3.6596 H 1 UNL1111111111 0.1643 49 H 3.3248 1.2402 3.0142 H 1 UNL1111111111 0.1687 50 H 3.9243 2.8941 2.8453 H 1 UNL1111111111 0.1574 51 H -1.9247 -2.5751 0.9526 H 1 UNL1111111111 0.1477 52 H -2.7106 -2.5346 -0.6365 H 1 UNL1111111111 0.1798 53 H -0.6145 -2.9351 -1.4657 H 1 UNL1111111111 0.1611 54 H -0.3758 -1.2165 -1.3024 H 1 UNL1111111111 0.1525 55 H 0.4721 -1.7597 1.1833 H 1 UNL1111111111 0.1081 56 H 0.4561 -3.4586 0.6471 H 1 UNL1111111111 0.1415 57 H 1.4023 -0.3574 -1.2059 H 1 UNL1111111111 0.1533 58 H 2.2694 -0.2725 0.3557 H 1 UNL1111111111 0.1223 59 H 3.0460 -2.5608 1.3898 H 1 UNL1111111111 0.1281 60 H 2.6448 -4.0311 0.4479 H 1 UNL1111111111 0.1452 61 H 5.0739 -3.3496 0.1596 H 1 UNL1111111111 0.1647 62 H 4.1794 -3.3456 -1.3982 H 1 UNL1111111111 0.1543 63 H 3.4360 -1.2229 -2.3681 H 1 UNL1111111111 0.1647 64 H 3.8058 0.3237 -1.5530 H 1 UNL1111111111 0.1416 65 H 4.6872 1.2712 0.4723 H 1 UNL1111111111 0.1777 66 H 6.3805 1.0010 0.9247 H 1 UNL1111111111 0.1828 67 H 5.9138 0.9602 -0.7846 H 1 UNL1111111111 0.1761 @BOND 1 1 22 1 2 1 6 ar 3 1 2 ar 4 2 3 ar 5 2 35 1 6 3 4 ar 7 3 7 1 8 4 5 ar 9 4 21 1 10 5 6 ar 11 5 36 1 12 6 37 1 13 7 8 1 14 7 11 1 15 8 9 2 16 9 10 1 17 9 18 1 18 10 23 1 19 10 11 1 20 10 12 1 21 11 38 1 22 11 39 1 23 12 13 ar 24 12 17 ar 25 13 14 ar 26 13 40 1 27 14 15 ar 28 14 41 1 29 15 16 ar 30 15 42 1 31 16 17 ar 32 16 43 1 33 17 44 1 34 18 19 1 35 18 20 2 36 19 45 1 37 19 46 1 38 19 47 1 39 22 48 1 40 22 49 1 41 22 50 1 42 23 24 1 43 23 51 1 44 23 52 1 45 24 25 1 46 24 53 1 47 24 54 1 48 25 26 1 49 25 55 1 50 25 56 1 51 26 28 1 52 26 27 1 53 27 30 1 54 27 57 1 55 27 58 1 56 28 29 1 57 28 59 1 58 28 60 1 59 29 31 1 60 29 61 1 61 29 62 1 62 30 31 1 63 30 63 1 64 30 64 1 65 31 32 am 66 32 34 2 67 32 33 1 68 33 65 1 69 33 66 1 70 33 67 1