@MOLECULE n-[1-(4-methylphenyl)-3-(2-methyl-2-propanyl)-1h-pyrazol-5-yl]-4-[2-({[1-(4-methylphenyl)-3-(2-methyl-2-propanyl)-1h-pyrazol-5-yl]carbamoyl}amino)ethyl]-1-piperazinecarboxamide 96 100 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.8779 -0.7244 1.7005 O.2 1 UNL111111111 -0.5009 2 C 3.9330 0.2994 1.0586 C.2 1 UNL111111111 0.7074 3 N 5.0159 0.6157 0.2059 N.am 1 UNL111111111 -0.5776 4 C 6.1460 -0.2044 0.2116 C.ar 1 UNL111111111 0.2691 5 N 7.3902 0.2597 -0.2570 N.ar 1 UNL111111111 -0.1991 6 C 7.6780 1.4175 -1.0259 C.ar 1 UNL111111111 0.1573 7 C 6.8158 1.8108 -2.0562 C.ar 1 UNL111111111 -0.2037 8 C 7.0943 2.9733 -2.7671 C.ar 1 UNL111111111 -0.1605 9 C 8.2319 3.7288 -2.4719 C.ar 1 UNL111111111 0.0399 10 C 8.5358 4.9622 -3.2507 C.3 1 UNL111111111 -0.4558 11 C 9.1007 3.3092 -1.4595 C.ar 1 UNL111111111 -0.1639 12 C 8.8325 2.1552 -0.7337 C.ar 1 UNL111111111 -0.1358 13 N 8.3348 -0.7281 -0.1504 N.ar 1 UNL111111111 -0.2612 14 C 7.7294 -1.7902 0.4235 C.ar 1 UNL111111111 0.0824 15 C 8.4389 -3.0735 0.7378 C.3 1 UNL111111111 0.1371 16 C 8.2821 -3.3614 2.2405 C.3 1 UNL111111111 -0.4573 17 C 7.7842 -4.1946 -0.0880 C.3 1 UNL111111111 -0.4571 18 C 9.9302 -2.9787 0.3850 C.3 1 UNL111111111 -0.4538 19 C 6.3448 -1.5049 0.6693 C.ar 1 UNL111111111 -0.3282 20 N 2.9424 1.2904 1.0964 N.am 1 UNL111111111 -0.6019 21 C 1.7157 0.9435 1.8277 C.3 1 UNL111111111 -0.0645 22 C 0.8506 -0.0848 1.0515 C.3 1 UNL111111111 -0.1609 23 N -0.4234 -0.2082 1.7911 N.3 1 UNL111111111 -0.4255 24 C -1.4417 0.7359 1.2726 C.3 1 UNL111111111 -0.1559 25 C -2.6851 0.6517 2.1923 C.3 1 UNL111111111 -0.0884 26 C -0.9385 -1.5987 1.7675 C.3 1 UNL111111111 -0.1518 27 C -2.2056 -1.6777 2.6519 C.3 1 UNL111111111 -0.0853 28 N -3.2434 -0.7136 2.2215 N.am 1 UNL111111111 -0.4731 29 C -3.9865 -1.1610 1.0956 C.2 1 UNL111111111 0.6922 30 O -3.8624 -2.2667 0.6172 O.2 1 UNL111111111 -0.5085 31 N -4.9542 -0.2545 0.6309 N.am 1 UNL111111111 -0.5729 32 C -5.8698 -0.6514 -0.3429 C.ar 1 UNL111111111 0.2709 33 C -5.7987 -1.6214 -1.3404 C.ar 1 UNL111111111 -0.3221 34 C -7.0286 -1.5099 -2.0698 C.ar 1 UNL111111111 0.0826 35 C -7.4529 -2.3542 -3.2341 C.3 1 UNL111111111 0.1369 36 C -8.8204 -1.9061 -3.7704 C.3 1 UNL111111111 -0.4535 37 C -6.3958 -2.2209 -4.3435 C.3 1 UNL111111111 -0.4577 38 C -7.5388 -3.8144 -2.7578 C.3 1 UNL111111111 -0.4566 39 N -7.7945 -0.5225 -1.5545 N.ar 1 UNL111111111 -0.2647 40 N -7.1220 -0.0220 -0.4721 N.ar 1 UNL111111111 -0.1905 41 C -7.6213 1.1123 0.2162 C.ar 1 UNL111111111 0.1575 42 C -8.1952 2.1711 -0.4986 C.ar 1 UNL111111111 -0.1449 43 C -7.5457 1.1488 1.6150 C.ar 1 UNL111111111 -0.1998 44 C -8.0029 2.2748 2.2892 C.ar 1 UNL111111111 -0.1594 45 C -8.5534 3.3493 1.5845 C.ar 1 UNL111111111 0.0358 46 C -9.0483 4.5458 2.3220 C.3 1 UNL111111111 -0.4559 47 C -8.6579 3.2850 0.1922 C.ar 1 UNL111111111 -0.1627 48 H 5.1224 1.5595 -0.1531 H 1 UNL111111111 0.3200 49 H 5.9563 1.1974 -2.3236 H 1 UNL111111111 0.1692 50 H 6.4269 3.2862 -3.5684 H 1 UNL111111111 0.1566 51 H 9.0142 5.7368 -2.6351 H 1 UNL111111111 0.1576 52 H 9.2237 4.7391 -4.0819 H 1 UNL111111111 0.1647 53 H 7.6380 5.4157 -3.6918 H 1 UNL111111111 0.1550 54 H 9.9967 3.8878 -1.2390 H 1 UNL111111111 0.1593 55 H 9.5118 1.8106 0.0488 H 1 UNL111111111 0.1829 56 H 7.2269 -3.4498 2.5239 H 1 UNL111111111 0.1531 57 H 8.7824 -4.2936 2.5190 H 1 UNL111111111 0.1454 58 H 8.7145 -2.5544 2.8430 H 1 UNL111111111 0.1507 59 H 7.8717 -3.9941 -1.1621 H 1 UNL111111111 0.1508 60 H 8.2577 -5.1602 0.1123 H 1 UNL111111111 0.1458 61 H 6.7168 -4.2890 0.1415 H 1 UNL111111111 0.1516 62 H 10.4187 -2.1710 0.9435 H 1 UNL111111111 0.1546 63 H 10.4539 -3.9118 0.6068 H 1 UNL111111111 0.1399 64 H 10.0716 -2.7525 -0.6795 H 1 UNL111111111 0.1570 65 H 5.6272 -2.1537 1.1245 H 1 UNL111111111 0.2037 66 H 2.8159 1.9007 0.3022 H 1 UNL111111111 0.3002 67 H 1.9855 0.5205 2.8259 H 1 UNL111111111 0.1783 68 H 1.1496 1.8785 2.0235 H 1 UNL111111111 0.1438 69 H 0.7217 0.2207 -0.0053 H 1 UNL111111111 0.1217 70 H 1.3923 -1.0595 1.0337 H 1 UNL111111111 0.1673 71 H -1.0238 1.7636 1.3073 H 1 UNL111111111 0.1415 72 H -1.7292 0.5333 0.2187 H 1 UNL111111111 0.1312 73 H -2.3942 0.9101 3.2400 H 1 UNL111111111 0.1667 74 H -3.4459 1.3935 1.8836 H 1 UNL111111111 0.1339 75 H -1.1722 -1.9619 0.7428 H 1 UNL111111111 0.1411 76 H -0.1556 -2.2672 2.1884 H 1 UNL111111111 0.1537 77 H -2.6226 -2.7101 2.6312 H 1 UNL111111111 0.1661 78 H -1.9538 -1.4404 3.7106 H 1 UNL111111111 0.1569 79 H -5.1248 0.6179 1.1203 H 1 UNL111111111 0.3252 80 H -5.0064 -2.3169 -1.5152 H 1 UNL111111111 0.2009 81 H -9.5899 -1.9672 -2.9899 H 1 UNL111111111 0.1584 82 H -8.7935 -0.8612 -4.1017 H 1 UNL111111111 0.1527 83 H -9.1418 -2.5228 -4.6133 H 1 UNL111111111 0.1396 84 H -6.6602 -2.8286 -5.2140 H 1 UNL111111111 0.1455 85 H -6.3015 -1.1810 -4.6749 H 1 UNL111111111 0.1482 86 H -5.4082 -2.5450 -3.9961 H 1 UNL111111111 0.1517 87 H -8.2673 -3.9206 -1.9453 H 1 UNL111111111 0.1527 88 H -7.8438 -4.4791 -3.5710 H 1 UNL111111111 0.1450 89 H -6.5734 -4.1685 -2.3776 H 1 UNL111111111 0.1538 90 H -8.2838 2.1080 -1.5853 H 1 UNL111111111 0.1829 91 H -7.1656 0.2926 2.1725 H 1 UNL111111111 0.1728 92 H -7.9423 2.3129 3.3760 H 1 UNL111111111 0.1578 93 H -9.1110 5.4392 1.6863 H 1 UNL111111111 0.1558 94 H -10.0580 4.3667 2.7248 H 1 UNL111111111 0.1647 95 H -8.4039 4.8051 3.1734 H 1 UNL111111111 0.1560 96 H -9.1064 4.1107 -0.3585 H 1 UNL111111111 0.1581 @BOND 1 1 2 2 2 2 3 am 3 3 4 1 4 3 48 1 5 4 19 ar 6 4 5 ar 7 5 6 1 8 5 13 ar 9 6 12 ar 10 7 8 ar 11 7 6 ar 12 7 49 1 13 8 9 ar 14 8 50 1 15 9 10 1 16 9 11 ar 17 10 51 1 18 10 52 1 19 10 53 1 20 11 54 1 21 12 11 ar 22 12 55 1 23 14 13 ar 24 14 15 1 25 15 17 1 26 15 18 1 27 16 15 1 28 16 56 1 29 16 57 1 30 16 58 1 31 17 59 1 32 17 60 1 33 17 61 1 34 18 62 1 35 18 63 1 36 18 64 1 37 19 14 ar 38 19 65 1 39 20 2 am 40 20 66 1 41 21 20 1 42 21 67 1 43 21 68 1 44 22 21 1 45 22 69 1 46 22 70 1 47 23 22 1 48 24 23 1 49 24 71 1 50 24 72 1 51 25 24 1 52 25 73 1 53 25 74 1 54 26 23 1 55 26 75 1 56 26 76 1 57 27 26 1 58 27 77 1 59 27 78 1 60 28 25 1 61 28 27 1 62 29 28 am 63 30 29 2 64 31 29 am 65 31 79 1 66 32 31 1 67 33 32 ar 68 33 80 1 69 34 33 ar 70 35 38 1 71 35 34 1 72 36 35 1 73 36 81 1 74 36 82 1 75 36 83 1 76 37 35 1 77 37 84 1 78 37 85 1 79 37 86 1 80 38 87 1 81 38 88 1 82 38 89 1 83 39 34 ar 84 39 40 ar 85 40 41 1 86 40 32 ar 87 41 42 ar 88 42 47 ar 89 42 90 1 90 43 44 ar 91 43 41 ar 92 43 91 1 93 44 45 ar 94 44 92 1 95 45 46 1 96 45 47 ar 97 46 93 1 98 46 94 1 99 46 95 1 100 47 96 1