@MOLECULE (3-{(1r)-3-(3,4-dimethoxyphenyl)-1-[({(2s)-1-[(2s)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinyl}carbonyl)oxy]propyl}phenoxy)acetic acid 97 100 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.8728 -2.7278 0.4067 C.2 1 UNL1111111111 0.6093 2 C 1.2346 -3.9936 -0.1791 C.3 1 UNL1111111111 0.0275 3 C 1.6083 -4.0766 -1.6763 C.3 1 UNL1111111111 -0.2929 4 C 0.9663 -5.3037 -2.3262 C.3 1 UNL1111111111 -0.2601 5 C -0.5521 -5.2420 -2.1304 C.3 1 UNL1111111111 -0.2937 6 C -0.8782 -5.1700 -0.6270 C.3 1 UNL1111111111 -0.0580 7 C -0.8717 -3.0254 0.7143 C.2 1 UNL1111111111 0.5775 8 C -2.3935 -3.0082 0.7451 C.3 1 UNL1111111111 -0.2015 9 C -2.9136 -1.6030 0.9125 C.ar 1 UNL1111111111 0.1020 10 C -3.8608 -1.1334 0.0008 C.ar 1 UNL1111111111 -0.3432 11 C -4.4076 0.1385 0.1793 C.ar 1 UNL1111111111 0.2289 12 C -4.0212 0.9469 1.2592 C.ar 1 UNL1111111111 -0.0008 13 C -3.0374 0.4665 2.1404 C.ar 1 UNL1111111111 0.2280 14 O -2.6964 1.3393 3.1242 O.3 1 UNL1111111111 -0.2847 15 C -4.3731 -4.1451 1.8307 C.3 1 UNL1111111111 -0.4372 16 O -5.3740 0.6776 -0.6127 O.3 1 UNL1111111111 -0.2989 17 C -1.5095 1.0343 3.8492 C.3 1 UNL1111111111 -0.2097 18 C -5.8282 2.3443 1.7326 C.3 1 UNL1111111111 -0.2103 19 C -5.3878 0.2248 -1.9618 C.3 1 UNL1111111111 -0.2058 20 C -4.3107 4.1863 -3.5992 C.3 1 UNL1111111111 -0.2153 21 C 3.9777 -0.8737 -1.7218 C.ar 1 UNL1111111111 -0.2162 22 C 5.2774 -0.7206 -2.1874 C.ar 1 UNL1111111111 -0.0770 23 C 6.1978 0.0646 -1.4892 C.ar 1 UNL1111111111 -0.3059 24 C 3.5782 -0.2464 -0.5353 C.ar 1 UNL1111111111 0.0238 25 C 2.1635 -0.4081 -0.0448 C.3 1 UNL1111111111 0.1202 26 C 1.2303 0.5803 -0.7571 C.3 1 UNL1111111111 -0.2748 27 C -0.2308 0.2772 -0.4067 C.3 1 UNL1111111111 -0.2703 28 C -1.1258 1.3359 -0.9685 C.ar 1 UNL1111111111 0.0320 29 C -1.4262 2.4638 -0.1895 C.ar 1 UNL1111111111 -0.2686 30 C -2.2646 3.4440 -0.6935 C.ar 1 UNL1111111111 0.1827 31 C -2.8082 3.3078 -2.0012 C.ar 1 UNL1111111111 0.1349 32 C -2.4972 2.1978 -2.7677 C.ar 1 UNL1111111111 -0.2489 33 C -1.6549 1.2074 -2.2443 C.ar 1 UNL1111111111 -0.1970 34 C 5.7764 0.6851 -0.3167 C.ar 1 UNL1111111111 0.2460 35 O 6.5392 1.4916 0.4798 O.3 1 UNL1111111111 -0.2932 36 C 7.8861 1.6913 0.0675 C.3 1 UNL1111111111 -0.1291 37 C 8.4622 2.6189 1.1087 C.2 1 UNL1111111111 0.6212 38 O 7.9535 3.1621 2.0451 O.2 1 UNL1111111111 -0.4446 39 O 9.7849 2.7918 0.8232 O.3 1 UNL1111111111 -0.5804 40 C 4.4718 0.5392 0.1794 C.ar 1 UNL1111111111 -0.2470 41 C -2.3583 4.6350 1.3411 C.3 1 UNL1111111111 -0.2181 42 N -0.2255 -4.0157 -0.0007 N.am 1 UNL1111111111 -0.5185 43 O 1.6927 -1.6996 -0.4549 O.3 1 UNL1111111111 -0.4280 44 O 2.5465 -2.6789 1.3989 O.2 1 UNL1111111111 -0.4886 45 O -0.1936 -2.2143 1.3188 O.2 1 UNL1111111111 -0.5251 46 C -2.8700 -3.8928 1.9165 C.3 1 UNL1111111111 -0.2374 47 C -2.4917 -0.8079 1.9747 C.ar 1 UNL1111111111 -0.3159 48 O -4.4459 2.2388 1.3988 O.3 1 UNL1111111111 -0.2787 49 O -2.6126 4.5943 -0.0592 O.3 1 UNL1111111111 -0.2787 50 O -3.6039 4.3491 -2.3783 O.3 1 UNL1111111111 -0.2729 51 H 1.6674 -4.8744 0.3751 H 1 UNL1111111111 0.1623 52 H 2.7085 -4.1029 -1.7834 H 1 UNL1111111111 0.1497 53 H 1.2704 -3.1572 -2.2003 H 1 UNL1111111111 0.1717 54 H 1.3764 -6.2352 -1.8937 H 1 UNL1111111111 0.1383 55 H 1.2147 -5.3391 -3.4032 H 1 UNL1111111111 0.1385 56 H -1.0416 -6.1230 -2.5806 H 1 UNL1111111111 0.1367 57 H -0.9660 -4.3572 -2.6514 H 1 UNL1111111111 0.1530 58 H -0.5245 -6.0989 -0.1179 H 1 UNL1111111111 0.1387 59 H -1.9785 -5.1331 -0.4777 H 1 UNL1111111111 0.1412 60 H -2.7911 -3.4255 -0.2162 H 1 UNL1111111111 0.1624 61 H -4.1701 -1.7484 -0.8351 H 1 UNL1111111111 0.1629 62 H -4.7291 -4.7182 2.6940 H 1 UNL1111111111 0.1424 63 H -4.9344 -3.1997 1.8144 H 1 UNL1111111111 0.1616 64 H -4.6459 -4.7023 0.9293 H 1 UNL1111111111 0.1357 65 H -1.3746 1.9360 4.4595 H 1 UNL1111111111 0.1465 66 H -1.6596 0.1586 4.4870 H 1 UNL1111111111 0.1323 67 H -0.6560 0.8909 3.1766 H 1 UNL1111111111 0.1473 68 H -5.9557 3.4277 1.8481 H 1 UNL1111111111 0.1473 69 H -6.4565 1.9712 0.9178 H 1 UNL1111111111 0.1379 70 H -6.0440 1.8222 2.6677 H 1 UNL1111111111 0.1254 71 H -6.0836 0.9296 -2.4343 H 1 UNL1111111111 0.1461 72 H -4.3914 0.3122 -2.4134 H 1 UNL1111111111 0.1486 73 H -5.7703 -0.7967 -2.0226 H 1 UNL1111111111 0.1241 74 H -4.9077 5.1075 -3.6417 H 1 UNL1111111111 0.1505 75 H -3.6216 4.1396 -4.4476 H 1 UNL1111111111 0.1293 76 H -4.9651 3.3108 -3.5634 H 1 UNL1111111111 0.1277 77 H 3.2638 -1.4812 -2.2747 H 1 UNL1111111111 0.1629 78 H 5.5857 -1.2126 -3.1086 H 1 UNL1111111111 0.1425 79 H 7.2058 0.1730 -1.8687 H 1 UNL1111111111 0.1575 80 H 2.0834 -0.3317 1.0659 H 1 UNL1111111111 0.1656 81 H 1.4952 1.6155 -0.4654 H 1 UNL1111111111 0.1578 82 H 1.3723 0.5242 -1.8537 H 1 UNL1111111111 0.1517 83 H -0.5120 -0.7255 -0.7910 H 1 UNL1111111111 0.1563 84 H -0.3575 0.1855 0.6940 H 1 UNL1111111111 0.1679 85 H -1.0097 2.5465 0.8106 H 1 UNL1111111111 0.1710 86 H -2.8902 2.0830 -3.7717 H 1 UNL1111111111 0.1515 87 H -1.4167 0.3373 -2.8489 H 1 UNL1111111111 0.1489 88 H 8.4321 0.7257 0.0513 H 1 UNL1111111111 0.1703 89 H 7.9211 2.1590 -0.9377 H 1 UNL1111111111 0.1682 90 H 10.2535 3.3878 1.4563 H 1 UNL1111111111 0.3607 91 H 4.1900 1.0305 1.1089 H 1 UNL1111111111 0.1820 92 H -2.8813 5.5508 1.6428 H 1 UNL1111111111 0.1470 93 H -2.7911 3.7651 1.8544 H 1 UNL1111111111 0.1597 94 H -1.2850 4.7183 1.5307 H 1 UNL1111111111 0.1274 95 H -2.6218 -3.4003 2.8798 H 1 UNL1111111111 0.1597 96 H -2.3210 -4.8528 1.9226 H 1 UNL1111111111 0.1329 97 H -1.7277 -1.1798 2.6565 H 1 UNL1111111111 0.1933 @BOND 1 1 2 1 2 1 43 1 3 1 44 2 4 2 3 1 5 2 42 1 6 2 51 1 7 3 4 1 8 3 52 1 9 3 53 1 10 4 5 1 11 4 54 1 12 4 55 1 13 5 6 1 14 5 56 1 15 5 57 1 16 6 42 1 17 6 58 1 18 6 59 1 19 7 8 1 20 7 42 am 21 7 45 2 22 8 9 1 23 8 46 1 24 8 60 1 25 9 10 ar 26 9 47 ar 27 10 11 ar 28 10 61 1 29 11 12 ar 30 11 16 1 31 12 13 ar 32 12 48 1 33 13 14 1 34 13 47 ar 35 14 17 1 36 15 46 1 37 15 62 1 38 15 63 1 39 15 64 1 40 16 19 1 41 17 65 1 42 17 66 1 43 17 67 1 44 18 48 1 45 18 68 1 46 18 69 1 47 18 70 1 48 19 71 1 49 19 72 1 50 19 73 1 51 20 50 1 52 20 74 1 53 20 75 1 54 20 76 1 55 21 22 ar 56 21 24 ar 57 21 77 1 58 22 23 ar 59 22 78 1 60 23 34 ar 61 23 79 1 62 24 25 1 63 24 40 ar 64 25 26 1 65 25 43 1 66 25 80 1 67 26 27 1 68 26 81 1 69 26 82 1 70 27 28 1 71 27 83 1 72 27 84 1 73 28 29 ar 74 28 33 ar 75 29 30 ar 76 29 85 1 77 30 31 ar 78 30 49 1 79 31 32 ar 80 31 50 1 81 32 33 ar 82 32 86 1 83 33 87 1 84 34 35 1 85 34 40 ar 86 35 36 1 87 36 37 1 88 36 88 1 89 36 89 1 90 37 38 2 91 37 39 1 92 39 90 1 93 40 91 1 94 41 49 1 95 41 92 1 96 41 93 1 97 41 94 1 98 46 95 1 99 46 96 1 100 47 97 1