@MOLECULE n-{4-[5-ethyl-3-(3-pyridinyl)-1h-pyrazol-1-yl]phenyl}nicotinamide 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 N 2.0665 0.5699 0.1886 N.ar 1 UNL1111111111 -0.1010 2 C 0.6747 0.2898 0.1338 C.ar 1 UNL1111111111 0.1038 3 C 2.7100 1.7690 0.4868 C.ar 1 UNL1111111111 0.0951 4 N 2.9569 -0.4334 -0.0242 N.ar 1 UNL1111111111 -0.2665 5 C -0.1784 1.1502 -0.5657 C.ar 1 UNL1111111111 -0.1422 6 C 0.1705 -0.8493 0.7759 C.ar 1 UNL1111111111 -0.1002 7 C 4.0796 1.5009 0.4422 C.ar 1 UNL1111111111 -0.3111 8 C 2.0193 3.0379 0.8073 C.3 1 UNL1111111111 -0.2623 9 C 4.1982 0.1132 0.1157 C.ar 1 UNL1111111111 0.0673 10 C -1.5457 0.9072 -0.5819 C.ar 1 UNL1111111111 -0.1972 11 C -1.1934 -1.0959 0.7564 C.ar 1 UNL1111111111 -0.2384 12 C 2.1260 4.0197 -0.3619 C.3 1 UNL1111111111 -0.4252 13 C 5.4031 -0.6684 -0.0591 C.ar 1 UNL1111111111 -0.0831 14 C -2.0624 -0.2083 0.0910 C.ar 1 UNL1111111111 0.2278 15 C 5.3487 -2.0191 -0.4250 C.ar 1 UNL1111111111 -0.0636 16 C 6.6704 -0.0858 0.1346 C.ar 1 UNL1111111111 0.0530 17 N -3.4412 -0.5093 0.1416 N.am 1 UNL1111111111 -0.5660 18 C 6.5330 -2.7329 -0.5805 C.ar 1 UNL1111111111 -0.2435 19 N 7.8147 -0.7728 -0.0160 N.ar 1 UNL1111111111 -0.3702 20 C -4.4642 0.2999 -0.3543 C.2 1 UNL1111111111 0.5905 21 C 7.7487 -2.0713 -0.3661 C.ar 1 UNL1111111111 0.0497 22 C -5.8275 -0.2499 -0.1437 C.ar 1 UNL1111111111 -0.2424 23 O -4.2612 1.3496 -0.9168 O.2 1 UNL1111111111 -0.4708 24 C -6.6912 -0.3418 -1.2366 C.ar 1 UNL1111111111 -0.0216 25 C -6.2893 -0.6294 1.1244 C.ar 1 UNL1111111111 0.0785 26 C -7.9753 -0.8400 -1.0374 C.ar 1 UNL1111111111 -0.2494 27 N -7.5289 -1.1123 1.3176 N.ar 1 UNL1111111111 -0.3684 28 C -8.3531 -1.2204 0.2580 C.ar 1 UNL1111111111 0.0822 29 H 0.2267 2.0066 -1.1078 H 1 UNL1111111111 0.1733 30 H 0.8560 -1.5351 1.2814 H 1 UNL1111111111 0.1840 31 H 4.8752 2.1878 0.6152 H 1 UNL1111111111 0.1776 32 H 0.9540 2.8729 1.0768 H 1 UNL1111111111 0.1580 33 H 2.4772 3.4877 1.7180 H 1 UNL1111111111 0.1642 34 H -2.2021 1.5918 -1.1273 H 1 UNL1111111111 0.2045 35 H -1.5844 -1.9778 1.2596 H 1 UNL1111111111 0.1627 36 H 3.1743 4.2535 -0.5895 H 1 UNL1111111111 0.1546 37 H 1.6831 3.6132 -1.2786 H 1 UNL1111111111 0.1480 38 H 1.6169 4.9633 -0.1351 H 1 UNL1111111111 0.1481 39 H 4.3803 -2.5000 -0.5861 H 1 UNL1111111111 0.1776 40 H 6.7808 0.9665 0.4209 H 1 UNL1111111111 0.1741 41 H -3.6965 -1.3901 0.5806 H 1 UNL1111111111 0.3157 42 H 6.5169 -3.7810 -0.8626 H 1 UNL1111111111 0.1643 43 H 8.7111 -2.5826 -0.4744 H 1 UNL1111111111 0.1663 44 H -6.3591 -0.0221 -2.2281 H 1 UNL1111111111 0.1754 45 H -5.6658 -0.5419 2.0239 H 1 UNL1111111111 0.1781 46 H -8.6747 -0.9301 -1.8646 H 1 UNL1111111111 0.1739 47 H -9.3505 -1.6251 0.4733 H 1 UNL1111111111 0.1748 @BOND 1 1 2 1 2 1 3 ar 3 1 4 ar 4 2 5 ar 5 2 6 ar 6 3 7 ar 7 3 8 1 8 4 9 ar 9 5 10 ar 10 5 29 1 11 6 11 ar 12 6 30 1 13 7 9 ar 14 7 31 1 15 8 12 1 16 8 32 1 17 8 33 1 18 9 13 1 19 10 14 ar 20 10 34 1 21 11 14 ar 22 11 35 1 23 12 36 1 24 12 37 1 25 12 38 1 26 13 15 ar 27 13 16 ar 28 14 17 1 29 15 18 ar 30 15 39 1 31 16 19 ar 32 16 40 1 33 17 20 am 34 17 41 1 35 18 21 ar 36 18 42 1 37 19 21 ar 38 20 22 1 39 20 23 2 40 21 43 1 41 22 24 ar 42 22 25 ar 43 24 26 ar 44 24 44 1 45 25 27 ar 46 25 45 1 47 26 28 ar 48 26 46 1 49 27 28 ar 50 28 47 1