@MOLECULE n-[(2s)-2-[(1,4'-bipiperidin-1'-ylacetyl)amino]-3-(1h-indol-3-yl)propyl]-n-(2-methoxybenzyl)acetamide 86 90 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9163 -0.7827 1.8235 O.2 1 UNL11 -0.5388 2 O -5.3731 1.3597 2.6672 O.2 1 UNL11 -0.5471 3 O -6.7965 -0.4656 0.1337 O.3 1 UNL11 -0.2781 4 N 5.6367 -0.9749 0.8163 N.3 1 UNL11 -0.4493 5 N 1.5330 -2.0268 0.1741 N.3 1 UNL11 -0.4008 6 N -1.1141 0.0433 -0.2734 N.am 1 UNL11 -0.6059 7 N -4.1830 0.8246 0.8310 N.am 1 UNL11 -0.5001 8 N 2.3360 2.6414 0.9136 N.ar 1 UNL11 -0.3715 9 C 4.1676 -0.8932 0.6483 C.3 1 UNL11 0.0604 10 C 3.4913 -1.8584 1.6450 C.3 1 UNL11 -0.2937 11 C 3.6428 -1.1960 -0.7736 C.3 1 UNL11 -0.3338 12 C 1.9664 -1.7055 1.5570 C.3 1 UNL11 -0.1114 13 C 2.1101 -1.0727 -0.8024 C.3 1 UNL11 -0.1223 14 C 6.2174 -2.2564 0.3510 C.3 1 UNL11 -0.0994 15 C 6.3206 0.1725 0.1696 C.3 1 UNL11 -0.0967 16 C 7.7034 -2.3183 0.7539 C.3 1 UNL11 -0.2751 17 C 7.8144 0.1656 0.5486 C.3 1 UNL11 -0.2730 18 C 8.4681 -1.1520 0.1186 C.3 1 UNL11 -0.2645 19 C 0.0690 -2.1056 0.0710 C.3 1 UNL11 -0.2003 20 C -0.6746 -0.8944 0.6383 C.2 1 UNL11 0.5441 21 C -1.8026 1.2541 0.1882 C.3 1 UNL11 0.0753 22 C -1.1291 2.5142 -0.4062 C.3 1 UNL11 -0.2967 23 C -3.2983 1.1952 -0.2659 C.3 1 UNL11 -0.1000 24 C 0.3226 2.5268 -0.1400 C.ar 1 UNL11 -0.1136 25 C 1.3527 2.3918 -1.1337 C.ar 1 UNL11 -0.0878 26 C -4.2908 -0.6102 1.1467 C.3 1 UNL11 -0.0610 27 C 0.9494 2.6672 1.0885 C.ar 1 UNL11 -0.0298 28 C 2.6047 2.4767 -0.4435 C.ar 1 UNL11 0.0971 29 C -4.7436 1.7424 1.6992 C.2 1 UNL11 0.6071 30 C 1.3483 2.1934 -2.5185 C.ar 1 UNL11 -0.1218 31 C -4.6973 -1.4060 -0.0608 C.ar 1 UNL11 -0.1318 32 C 3.8294 2.3908 -1.1201 C.ar 1 UNL11 -0.2094 33 C -4.5753 3.2100 1.4001 C.3 1 UNL11 -0.5216 34 C 2.5580 2.0830 -3.1773 C.ar 1 UNL11 -0.1877 35 C 3.7852 2.1855 -2.4853 C.ar 1 UNL11 -0.1135 36 C -6.0085 -1.3146 -0.5708 C.ar 1 UNL11 0.2396 37 C -3.7977 -2.2518 -0.6970 C.ar 1 UNL11 -0.0929 38 C -6.4033 -2.0390 -1.6952 C.ar 1 UNL11 -0.3046 39 C -4.1789 -2.9825 -1.8246 C.ar 1 UNL11 -0.2283 40 C -5.4746 -2.8713 -2.3189 C.ar 1 UNL11 -0.0807 41 C -8.1676 -0.3910 -0.2308 C.3 1 UNL11 -0.2164 42 H 3.8705 0.1552 0.9201 H 1 UNL11 0.1289 43 H 3.8442 -1.6518 2.6713 H 1 UNL11 0.1519 44 H 3.7715 -2.9054 1.4248 H 1 UNL11 0.1523 45 H 4.0859 -0.5021 -1.5088 H 1 UNL11 0.1410 46 H 3.9331 -2.2183 -1.0787 H 1 UNL11 0.1563 47 H 1.6578 -0.6875 1.8803 H 1 UNL11 0.1285 48 H 1.4708 -2.4190 2.2528 H 1 UNL11 0.1512 49 H 1.7391 -1.3360 -1.8161 H 1 UNL11 0.1344 50 H 1.8087 -0.0203 -0.6055 H 1 UNL11 0.1301 51 H 6.1199 -2.3981 -0.7465 H 1 UNL11 0.1121 52 H 5.6674 -3.0898 0.8396 H 1 UNL11 0.1370 53 H 5.8540 1.1081 0.5467 H 1 UNL11 0.1243 54 H 6.2111 0.1670 -0.9357 H 1 UNL11 0.1120 55 H 7.7868 -2.2664 1.8570 H 1 UNL11 0.1505 56 H 8.1353 -3.2864 0.4492 H 1 UNL11 0.1294 57 H 7.9136 0.2914 1.6446 H 1 UNL11 0.1489 58 H 8.3236 1.0268 0.0841 H 1 UNL11 0.1272 59 H 8.4641 -1.2433 -0.9828 H 1 UNL11 0.1327 60 H 9.5291 -1.1743 0.4244 H 1 UNL11 0.1298 61 H -0.2116 -2.3074 -0.9848 H 1 UNL11 0.1544 62 H -0.2556 -3.0066 0.6525 H 1 UNL11 0.1805 63 H -1.7546 1.2961 1.3125 H 1 UNL11 0.1840 64 H -0.8023 0.0338 -1.2300 H 1 UNL11 0.3097 65 H -1.3225 2.5748 -1.4977 H 1 UNL11 0.1525 66 H -1.6054 3.4211 0.0253 H 1 UNL11 0.1583 67 H -3.4104 0.4540 -1.0940 H 1 UNL11 0.1618 68 H -3.6163 2.1672 -0.6985 H 1 UNL11 0.1414 69 H -5.0493 -0.7474 1.9644 H 1 UNL11 0.1887 70 H -3.3158 -0.9676 1.5645 H 1 UNL11 0.1659 71 H 0.5153 2.7734 2.0667 H 1 UNL11 0.1760 72 H 3.0158 2.7029 1.6363 H 1 UNL11 0.3196 73 H 0.4066 2.1322 -3.0570 H 1 UNL11 0.1480 74 H 4.7695 2.4893 -0.5879 H 1 UNL11 0.1591 75 H -3.5210 3.5090 1.3780 H 1 UNL11 0.1675 76 H -5.0673 3.8017 2.1901 H 1 UNL11 0.1826 77 H -5.0466 3.4876 0.4495 H 1 UNL11 0.1672 78 H 2.5788 1.9214 -4.2529 H 1 UNL11 0.1511 79 H 4.7121 2.1059 -3.0523 H 1 UNL11 0.1512 80 H -2.7824 -2.3482 -0.3103 H 1 UNL11 0.1542 81 H -7.4113 -1.9660 -2.0867 H 1 UNL11 0.1608 82 H -3.4641 -3.6400 -2.3101 H 1 UNL11 0.1524 83 H -5.7722 -3.4402 -3.1985 H 1 UNL11 0.1432 84 H -8.2839 0.0263 -1.2346 H 1 UNL11 0.1299 85 H -8.6563 -1.3655 -0.1399 H 1 UNL11 0.1363 86 H -8.5607 0.3061 0.5247 H 1 UNL11 0.1617 @BOND 1 1 20 2 2 2 29 2 3 3 36 1 4 3 41 1 5 4 9 1 6 4 14 1 7 4 15 1 8 5 12 1 9 5 13 1 10 5 19 1 11 6 20 am 12 6 21 1 13 6 64 1 14 7 23 1 15 7 26 1 16 7 29 am 17 8 27 ar 18 8 28 ar 19 8 72 1 20 9 10 1 21 9 11 1 22 9 42 1 23 10 12 1 24 10 43 1 25 10 44 1 26 11 13 1 27 11 45 1 28 11 46 1 29 12 47 1 30 12 48 1 31 13 49 1 32 13 50 1 33 14 16 1 34 14 51 1 35 14 52 1 36 15 17 1 37 15 53 1 38 15 54 1 39 16 18 1 40 16 55 1 41 16 56 1 42 17 18 1 43 17 57 1 44 17 58 1 45 18 59 1 46 18 60 1 47 19 20 1 48 19 61 1 49 19 62 1 50 21 22 1 51 21 23 1 52 21 63 1 53 22 24 1 54 22 65 1 55 22 66 1 56 23 67 1 57 23 68 1 58 24 25 ar 59 24 27 ar 60 25 28 ar 61 25 30 ar 62 26 31 1 63 26 69 1 64 26 70 1 65 27 71 1 66 28 32 ar 67 29 33 1 68 30 34 ar 69 30 73 1 70 31 36 ar 71 31 37 ar 72 32 35 ar 73 32 74 1 74 33 75 1 75 33 76 1 76 33 77 1 77 34 35 ar 78 34 78 1 79 35 79 1 80 36 38 ar 81 37 39 ar 82 37 80 1 83 38 40 ar 84 38 81 1 85 39 40 ar 86 39 82 1 87 40 83 1 88 41 84 1 89 41 85 1 90 41 86 1