@MOLECULE 4-[1-(3,6-dihydro-1(2h)-pyrazinyl)-1-hydroxyethyl]-7-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 F -6.6560 -1.2471 0.0771 F 1 UNL1111111111 -0.2052 2 F -5.0037 -2.2866 -0.7142 F 1 UNL1111111111 -0.1945 3 F -5.1489 -1.9436 1.3618 F 1 UNL1111111111 -0.2056 4 O 3.7890 1.8783 0.6548 O.3 1 UNL1111111111 -0.5900 5 N 1.7482 0.7683 0.9198 N.pl3 1 UNL1111111111 -0.4976 6 N 3.7559 -0.4496 0.4373 N.3 1 UNL1111111111 -0.5259 7 N -0.1452 0.7025 -0.5340 N.ar 1 UNL1111111111 -0.1946 8 N 4.9881 -2.8805 -0.3752 N.2 1 UNL1111111111 -0.3476 9 N -0.4952 0.5783 -1.8574 N.ar 1 UNL1111111111 -0.2201 10 N 4.2015 0.6484 -2.5017 N.1 1 UNL1111111111 -0.3057 11 C 3.2179 0.7128 1.1720 C.3 1 UNL1111111111 0.6314 12 C 0.9426 1.5157 1.9256 C.3 1 UNL1111111111 -0.0433 13 C 1.2621 0.7358 -0.3678 C.ar 1 UNL1111111111 0.3735 14 C 5.2304 -0.5611 0.5266 C.3 1 UNL1111111111 -0.1260 15 C 3.0799 -1.7292 0.7499 C.3 1 UNL1111111111 -0.1535 16 C 3.5464 0.7600 2.6754 C.3 1 UNL1111111111 -0.5020 17 C -1.0422 1.1259 0.4646 C.2 1 UNL1111111111 0.2008 18 C -0.5267 1.5129 1.6446 C.2 1 UNL1111111111 -0.2820 19 C 5.6883 -1.6177 -0.5073 C.3 1 UNL1111111111 -0.1379 20 C 1.7891 0.5858 -1.6682 C.ar 1 UNL1111111111 -0.3111 21 C 3.8356 -2.9110 0.1757 C.2 1 UNL1111111111 0.0421 22 C -2.4780 1.1076 0.1488 C.ar 1 UNL1111111111 -0.0452 23 C 0.6439 0.4704 -2.5446 C.ar 1 UNL1111111111 0.0337 24 C -3.2042 -0.0727 0.3042 C.ar 1 UNL1111111111 -0.0616 25 C -3.0990 2.2706 -0.3109 C.ar 1 UNL1111111111 -0.0769 26 C 3.1056 0.6200 -2.1204 C.1 1 UNL1111111111 0.2072 27 C -4.5685 -0.0715 0.0130 C.ar 1 UNL1111111111 -0.1408 28 C -4.4601 2.2557 -0.6033 C.ar 1 UNL1111111111 -0.1631 29 C -5.2001 1.0851 -0.4425 C.ar 1 UNL1111111111 -0.0734 30 C -5.3313 -1.3528 0.1790 C.3 1 UNL1111111111 0.5485 31 H 1.3130 2.5699 2.0032 H 1 UNL1111111111 0.1576 32 H 1.1112 1.0195 2.9157 H 1 UNL1111111111 0.1630 33 H 5.5745 -0.8546 1.5410 H 1 UNL1111111111 0.1239 34 H 5.6895 0.4233 0.2885 H 1 UNL1111111111 0.1599 35 H 2.0634 -1.6934 0.2830 H 1 UNL1111111111 0.1743 36 H 2.9280 -1.8793 1.8420 H 1 UNL1111111111 0.1381 37 H 4.6270 0.6210 2.8267 H 1 UNL1111111111 0.1779 38 H 3.3169 1.7439 3.1072 H 1 UNL1111111111 0.1794 39 H 3.0227 -0.0184 3.2384 H 1 UNL1111111111 0.1653 40 H -1.1581 1.8485 2.4635 H 1 UNL1111111111 0.1826 41 H 5.5349 -1.2346 -1.5499 H 1 UNL1111111111 0.1925 42 H 6.7785 -1.8134 -0.4006 H 1 UNL1111111111 0.1562 43 H 4.0534 1.8148 -0.2929 H 1 UNL1111111111 0.3600 44 H 3.3131 -3.8737 0.2538 H 1 UNL1111111111 0.1669 45 H 0.6683 0.3198 -3.6138 H 1 UNL1111111111 0.1999 46 H -2.6965 -0.9816 0.6374 H 1 UNL1111111111 0.1773 47 H -2.5153 3.1818 -0.4506 H 1 UNL1111111111 0.1637 48 H -4.9473 3.1597 -0.9674 H 1 UNL1111111111 0.1612 49 H -6.2645 1.0920 -0.6832 H 1 UNL1111111111 0.1667 @BOND 1 1 30 1 2 2 30 1 3 3 30 1 4 4 11 1 5 4 43 1 6 5 11 1 7 5 12 1 8 5 13 1 9 6 11 1 10 6 14 1 11 6 15 1 12 7 9 ar 13 7 13 ar 14 7 17 1 15 8 19 1 16 8 21 2 17 9 23 ar 18 10 26 3 19 11 16 1 20 12 18 1 21 12 31 1 22 12 32 1 23 13 20 ar 24 14 19 1 25 14 33 1 26 14 34 1 27 15 21 1 28 15 35 1 29 15 36 1 30 16 37 1 31 16 38 1 32 16 39 1 33 17 18 2 34 17 22 1 35 18 40 1 36 19 41 1 37 19 42 1 38 20 23 ar 39 20 26 1 40 21 44 1 41 22 24 ar 42 22 25 ar 43 23 45 1 44 24 27 ar 45 24 46 1 46 25 28 ar 47 25 47 1 48 27 29 ar 49 27 30 1 50 28 29 ar 51 28 48 1 52 29 49 1