@MOLECULE 3,7,11-trimethyl-2,6,10-dodecatrienyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetate 80 82 0 0 0 SMALL GASTEIGER @ATOM 1 CL 5.8600 2.8916 0.3301 Cl 1 UNL11 -0.0856 2 O -3.3178 -2.2205 0.0261 O.3 1 UNL11 -0.4239 3 O -1.3828 0.9597 -3.4879 O.3 1 UNL11 -0.3185 4 O 3.4762 -3.2988 0.6675 O.2 1 UNL11 -0.4510 5 O -2.6709 -3.6215 1.6608 O.2 1 UNL11 -0.5233 6 N 1.6806 -2.3479 -0.3250 N.ar 1 UNL11 -0.4000 7 C -0.4751 -3.0492 -0.6215 C.ar 1 UNL11 -0.1834 8 C -0.3044 -1.8136 -1.3503 C.ar 1 UNL11 0.0350 9 C 0.7257 -3.3534 -0.0111 C.ar 1 UNL11 0.2322 10 C 1.0519 -1.4054 -1.1819 C.ar 1 UNL11 0.0417 11 C -1.7295 -3.8250 -0.5750 C.3 1 UNL11 -0.3073 12 C -1.1858 -1.0473 -2.1087 C.ar 1 UNL11 -0.2775 13 C 1.5593 -0.2888 -1.8490 C.ar 1 UNL11 -0.1251 14 C 1.0565 -4.4868 0.8668 C.3 1 UNL11 -0.4562 15 C 2.9837 -2.2969 0.2063 C.2 1 UNL11 0.5954 16 C -0.6710 0.0854 -2.7244 C.ar 1 UNL11 0.2347 17 C 0.6904 0.4557 -2.6261 C.ar 1 UNL11 -0.2255 18 C -2.5982 -3.2550 0.5163 C.2 1 UNL11 0.6178 19 C 3.6820 -0.9881 0.2096 C.ar 1 UNL11 -0.1535 20 C -5.2317 2.1143 0.0778 C.3 1 UNL11 -0.2894 21 C -4.2058 3.2520 0.2220 C.3 1 UNL11 -0.2528 22 C -4.8124 0.9090 0.8662 C.2 1 UNL11 0.0709 23 C -0.4354 3.1794 -0.6594 C.3 1 UNL11 -0.2877 24 C -1.7684 3.6339 -0.1480 C.2 1 UNL11 0.0214 25 C -4.0787 -1.4663 0.9854 C.3 1 UNL11 -0.0036 26 C -2.8551 2.8618 -0.2786 C.2 1 UNL11 -0.2179 27 C 4.9225 -0.8824 -0.4204 C.ar 1 UNL11 -0.0684 28 C 3.1260 0.0902 0.8997 C.ar 1 UNL11 -0.0729 29 C -4.4958 -0.2390 0.2537 C.2 1 UNL11 -0.2699 30 C 0.3744 2.5245 0.4744 C.3 1 UNL11 -0.2505 31 C -4.7602 1.0734 2.3481 C.3 1 UNL11 -0.4614 32 C -1.8029 4.9699 0.5177 C.3 1 UNL11 -0.4526 33 C 5.6075 0.3311 -0.3893 C.ar 1 UNL11 -0.1921 34 C 3.8100 1.3021 0.9499 C.ar 1 UNL11 -0.1873 35 C -0.1784 1.1896 0.8515 C.2 1 UNL11 -0.2102 36 C -2.7850 0.7460 -3.5686 C.3 1 UNL11 -0.2004 37 C 5.0316 1.3948 0.2944 C.ar 1 UNL11 0.0626 38 C -0.1472 0.6737 2.0868 C.2 1 UNL11 0.0189 39 C -0.6778 -0.6923 2.3686 C.3 1 UNL11 -0.4564 40 C 0.4086 1.4026 3.2670 C.3 1 UNL11 -0.4456 41 H -1.5449 -4.9042 -0.3756 H 1 UNL11 0.1776 42 H -2.2541 -3.7844 -1.5578 H 1 UNL11 0.1827 43 H -2.2284 -1.3385 -2.1841 H 1 UNL11 0.1800 44 H 2.6060 -0.0047 -1.7720 H 1 UNL11 0.1652 45 H 0.1723 -5.0976 1.1070 H 1 UNL11 0.1715 46 H 1.4888 -4.1583 1.8295 H 1 UNL11 0.1841 47 H 1.8145 -5.1501 0.4118 H 1 UNL11 0.1849 48 H 1.0370 1.3332 -3.1682 H 1 UNL11 0.1727 49 H -6.2273 2.4616 0.4210 H 1 UNL11 0.1435 50 H -5.3620 1.8693 -0.9950 H 1 UNL11 0.1438 51 H -4.5669 4.1469 -0.3271 H 1 UNL11 0.1414 52 H -4.1409 3.5639 1.2860 H 1 UNL11 0.1452 53 H 0.1312 4.0295 -1.0857 H 1 UNL11 0.1408 54 H -0.5561 2.4637 -1.5008 H 1 UNL11 0.1607 55 H -3.4379 -1.2587 1.8652 H 1 UNL11 0.1469 56 H -4.9365 -2.0904 1.2993 H 1 UNL11 0.1364 57 H -2.7926 1.8815 -0.7480 H 1 UNL11 0.1577 58 H 5.3549 -1.7454 -0.9312 H 1 UNL11 0.1704 59 H 2.1476 -0.0087 1.3872 H 1 UNL11 0.1909 60 H -4.5172 -0.3478 -0.8288 H 1 UNL11 0.1627 61 H 1.4275 2.3985 0.1423 H 1 UNL11 0.1409 62 H 0.4053 3.2116 1.3431 H 1 UNL11 0.1415 63 H -5.2595 1.9881 2.6920 H 1 UNL11 0.1525 64 H -5.2312 0.2336 2.8762 H 1 UNL11 0.1553 65 H -3.7128 1.1336 2.6898 H 1 UNL11 0.1694 66 H -2.4346 5.6745 -0.0416 H 1 UNL11 0.1519 67 H -0.8084 5.4244 0.6067 H 1 UNL11 0.1493 68 H -2.2151 4.8976 1.5344 H 1 UNL11 0.1509 69 H 6.5712 0.4326 -0.8872 H 1 UNL11 0.1748 70 H 3.3893 2.1508 1.4900 H 1 UNL11 0.1779 71 H -0.6153 0.6298 0.0228 H 1 UNL11 0.1605 72 H -3.0049 -0.1939 -4.0835 H 1 UNL11 0.1332 73 H -3.2460 0.7751 -2.5748 H 1 UNL11 0.1385 74 H -3.1164 1.6042 -4.1679 H 1 UNL11 0.1493 75 H 0.0954 -1.3478 2.7920 H 1 UNL11 0.1540 76 H -1.5041 -0.6596 3.0916 H 1 UNL11 0.1527 77 H -1.0575 -1.1940 1.4651 H 1 UNL11 0.1609 78 H -0.2210 2.2680 3.5210 H 1 UNL11 0.1515 79 H 1.4203 1.7823 3.0751 H 1 UNL11 0.1445 80 H 0.4642 0.7721 4.1633 H 1 UNL11 0.1503 @BOND 1 1 37 1 2 2 18 1 3 2 25 1 4 3 16 1 5 3 36 1 6 4 15 2 7 5 18 2 8 6 9 ar 9 6 10 ar 10 6 15 am 11 7 8 ar 12 7 9 ar 13 7 11 1 14 8 10 ar 15 8 12 ar 16 9 14 1 17 10 13 ar 18 11 18 1 19 11 41 1 20 11 42 1 21 12 16 ar 22 12 43 1 23 13 17 ar 24 13 44 1 25 14 45 1 26 14 46 1 27 14 47 1 28 15 19 1 29 16 17 ar 30 17 48 1 31 19 27 ar 32 19 28 ar 33 20 21 1 34 20 22 1 35 20 49 1 36 20 50 1 37 21 26 1 38 21 51 1 39 21 52 1 40 22 29 2 41 22 31 1 42 23 24 1 43 23 30 1 44 23 53 1 45 23 54 1 46 24 26 2 47 24 32 1 48 25 29 1 49 25 55 1 50 25 56 1 51 26 57 1 52 27 33 ar 53 27 58 1 54 28 34 ar 55 28 59 1 56 29 60 1 57 30 35 1 58 30 61 1 59 30 62 1 60 31 63 1 61 31 64 1 62 31 65 1 63 32 66 1 64 32 67 1 65 32 68 1 66 33 37 ar 67 33 69 1 68 34 37 ar 69 34 70 1 70 35 38 2 71 35 71 1 72 36 72 1 73 36 73 1 74 36 74 1 75 38 39 1 76 38 40 1 77 39 75 1 78 39 76 1 79 39 77 1 80 40 78 1 81 40 79 1 82 40 80 1