@MOLECULE 2-[2-{[4-methyl-2-(1-naphthyl)pentanoyl]amino}-4-(1h-pyrazol-1-ylmethyl)benzyl]benzoic acid 73 77 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.3461 1.6243 -1.7796 O.2 1 UNL11 -0.4986 2 O -0.8311 -5.0361 0.3856 O.3 1 UNL11 -0.5322 3 O -0.8392 -3.0095 -0.5198 O.2 1 UNL11 -0.5573 4 N 0.3877 -0.3544 -0.9114 N.am 1 UNL11 -0.5837 5 N 4.2061 3.2522 0.0079 N.ar 1 UNL11 -0.0955 6 N 4.3792 4.5803 0.2112 N.ar 1 UNL11 -0.2666 7 C -2.0152 0.1204 -0.8732 C.3 1 UNL11 -0.2038 8 C -2.6254 -0.5965 -2.0940 C.3 1 UNL11 -0.2759 9 C -4.0749 -1.0482 -1.8316 C.3 1 UNL11 -0.0511 10 C -2.8349 1.3086 -0.4557 C.ar 1 UNL11 -0.0093 11 C -0.6072 0.5731 -1.2472 C.2 1 UNL11 0.5964 12 C -3.4228 1.3718 0.8452 C.ar 1 UNL11 -0.0127 13 C -4.6660 -1.6194 -3.1268 C.3 1 UNL11 -0.4551 14 C -4.1360 -2.0986 -0.7171 C.3 1 UNL11 -0.4570 15 C -3.0452 2.3289 -1.3543 C.ar 1 UNL11 -0.1325 16 C -4.2754 2.4579 1.1512 C.ar 1 UNL11 -0.0043 17 C 1.7572 -0.1501 -1.1562 C.ar 1 UNL11 0.2289 18 C 2.6177 -1.2570 -1.3241 C.ar 1 UNL11 -0.0868 19 C -3.1864 0.3983 1.8569 C.ar 1 UNL11 -0.1565 20 C -3.8727 3.4283 -1.0284 C.ar 1 UNL11 -0.1404 21 C -4.4902 3.4852 0.1926 C.ar 1 UNL11 -0.1642 22 C 2.1289 -2.6706 -1.2072 C.3 1 UNL11 -0.3101 23 C 2.2901 1.1486 -1.1853 C.ar 1 UNL11 -0.2001 24 C 3.6501 1.3409 -1.3965 C.ar 1 UNL11 -0.0184 25 C -4.9090 2.5234 2.4236 C.ar 1 UNL11 -0.1513 26 C 3.9697 -1.0343 -1.5848 C.ar 1 UNL11 -0.1272 27 C -3.7956 0.4876 3.0816 C.ar 1 UNL11 -0.1460 28 C 4.4941 0.2536 -1.6190 C.ar 1 UNL11 -0.1962 29 C 4.2104 2.7367 -1.3623 C.3 1 UNL11 -0.0854 30 C 2.1381 -3.1211 0.2263 C.ar 1 UNL11 0.0947 31 C -4.6783 1.5580 3.3677 C.ar 1 UNL11 -0.1529 32 C 1.0266 -3.7004 0.8473 C.ar 1 UNL11 -0.1916 33 C 3.3209 -2.9912 0.9650 C.ar 1 UNL11 -0.1947 34 C 1.1044 -4.1678 2.1650 C.ar 1 UNL11 -0.0642 35 C 3.3935 -3.4364 2.2797 C.ar 1 UNL11 -0.0804 36 C 4.0292 2.5708 1.1969 C.ar 1 UNL11 -0.0747 37 C 2.2855 -4.0342 2.8830 C.ar 1 UNL11 -0.1893 38 C -0.2640 -3.8284 0.1609 C.2 1 UNL11 0.6708 39 C 4.0967 3.5271 2.2155 C.ar 1 UNL11 -0.2891 40 C 4.3174 4.7697 1.5547 C.ar 1 UNL11 -0.0667 41 H -1.7171 -5.1418 -0.0506 H 1 UNL11 0.3580 42 H 0.0936 -1.2894 -0.6221 H 1 UNL11 0.3395 43 H -1.9577 -0.6297 -0.0384 H 1 UNL11 0.1768 44 H -2.0038 -1.4773 -2.3523 H 1 UNL11 0.1524 45 H -2.5993 0.0712 -2.9769 H 1 UNL11 0.1491 46 H -4.6798 -0.1603 -1.5211 H 1 UNL11 0.1406 47 H -4.0931 -2.4818 -3.4823 H 1 UNL11 0.1413 48 H -4.6754 -0.8713 -3.9266 H 1 UNL11 0.1426 49 H -5.6990 -1.9511 -2.9768 H 1 UNL11 0.1416 50 H -3.3911 -2.8871 -0.8705 H 1 UNL11 0.1478 51 H -5.1227 -2.5693 -0.6700 H 1 UNL11 0.1389 52 H -3.9505 -1.6482 0.2648 H 1 UNL11 0.1447 53 H -2.5631 2.3117 -2.3349 H 1 UNL11 0.1746 54 H -2.4981 -0.4227 1.6534 H 1 UNL11 0.1512 55 H -4.0097 4.2195 -1.7636 H 1 UNL11 0.1527 56 H -5.1420 4.3166 0.4527 H 1 UNL11 0.1511 57 H 2.7764 -3.3574 -1.8030 H 1 UNL11 0.1716 58 H 1.1330 -2.7829 -1.6904 H 1 UNL11 0.1781 59 H 1.6376 2.0147 -1.0263 H 1 UNL11 0.2064 60 H -5.5766 3.3581 2.6297 H 1 UNL11 0.1504 61 H 4.6311 -1.8823 -1.7611 H 1 UNL11 0.1487 62 H -3.6078 -0.2571 3.8522 H 1 UNL11 0.1468 63 H 5.5536 0.4045 -1.8089 H 1 UNL11 0.1570 64 H 5.2550 2.7790 -1.7596 H 1 UNL11 0.1639 65 H 3.6070 3.4245 -2.0131 H 1 UNL11 0.1853 66 H -5.1576 1.6009 4.3430 H 1 UNL11 0.1479 67 H 4.1945 -2.5248 0.5060 H 1 UNL11 0.1712 68 H 0.2326 -4.6389 2.6251 H 1 UNL11 0.1658 69 H 4.3203 -3.3194 2.8430 H 1 UNL11 0.1553 70 H 3.8682 1.5127 1.2486 H 1 UNL11 0.1765 71 H 2.3486 -4.3932 3.9084 H 1 UNL11 0.1600 72 H 4.0006 3.3698 3.2638 H 1 UNL11 0.1692 73 H 4.4258 5.7443 1.9898 H 1 UNL11 0.1744 @BOND 1 48 13 1 2 47 13 1 3 13 49 1 4 13 9 1 5 45 8 1 6 44 8 1 7 53 15 1 8 8 9 1 9 8 7 1 10 65 29 1 11 9 46 1 12 9 14 1 13 63 28 1 14 57 22 1 15 1 11 2 16 55 20 1 17 61 26 1 18 64 29 1 19 58 22 1 20 28 26 ar 21 28 24 ar 22 26 18 ar 23 24 29 1 24 24 23 ar 25 29 5 1 26 15 20 ar 27 15 10 ar 28 18 22 1 29 18 17 ar 30 11 4 am 31 11 7 1 32 22 30 1 33 23 17 ar 34 23 59 1 35 17 4 1 36 20 21 ar 37 4 42 1 38 7 10 1 39 7 43 1 40 50 14 1 41 14 51 1 42 14 52 1 43 3 38 2 44 10 12 ar 45 41 2 1 46 5 6 ar 47 5 36 ar 48 38 2 1 49 38 32 1 50 21 56 1 51 21 16 ar 52 6 40 ar 53 30 32 ar 54 30 33 ar 55 67 33 1 56 12 16 ar 57 12 19 ar 58 32 34 ar 59 33 35 ar 60 16 25 ar 61 36 70 1 62 36 39 ar 63 40 73 1 64 40 39 ar 65 54 19 1 66 19 27 ar 67 34 68 1 68 34 37 ar 69 39 72 1 70 35 69 1 71 35 37 ar 72 25 60 1 73 25 31 ar 74 37 71 1 75 27 31 ar 76 27 62 1 77 31 66 1