@MOLECULE methyl 8-(bromomethyl)-4-hydroxy-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1h-indol-2-yl)carbonyl]-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate 64 68 0 0 0 SMALL GASTEIGER @ATOM 1 BR 0.7629 -3.6330 -0.5689 Br 1 UNL11 -0.1248 2 O 4.8436 -1.9081 0.6063 O.2 1 UNL11 -0.3807 3 O 4.0464 3.8734 0.7822 O.3 1 UNL11 -0.4537 4 O 7.4994 1.1081 -1.2459 O.3 1 UNL11 -0.4161 5 O -0.6732 2.8224 0.3622 O.2 1 UNL11 -0.5234 6 O 6.3042 -0.6954 -1.8663 O.2 1 UNL11 -0.4559 7 O -5.5876 2.3328 -1.6056 O.3 1 UNL11 -0.3079 8 O -7.9399 0.7803 -0.8693 O.3 1 UNL11 -0.3005 9 O -7.6792 -1.2080 0.8479 O.3 1 UNL11 -0.2916 10 N 0.1853 0.8048 0.9090 N.am 1 UNL11 -0.4485 11 N 5.6914 1.5306 0.7781 N.pl3 1 UNL11 -0.4783 12 N -3.1649 1.7141 -0.2579 N.ar 1 UNL11 -0.2637 13 C 1.5650 -1.1999 0.7289 C.3 1 UNL11 -0.1162 14 C 2.3786 0.0620 0.7403 C.ar 1 UNL11 -0.0347 15 C 0.1006 -0.6799 0.9068 C.3 1 UNL11 -0.0785 16 C 3.7414 0.2411 0.6828 C.ar 1 UNL11 -0.2119 17 C 1.5416 1.1984 0.8317 C.ar 1 UNL11 0.1771 18 C 6.1459 0.1637 0.4232 C.3 1 UNL11 0.0475 19 C 4.2892 1.5464 0.7277 C.ar 1 UNL11 0.1235 20 C 4.8506 -0.7152 0.5682 C.2 1 UNL11 0.4695 21 C 1.7765 -1.9558 -0.5713 C.3 1 UNL11 -0.2408 22 C 2.0537 2.4956 0.8577 C.ar 1 UNL11 -0.2462 23 C 3.4370 2.6599 0.7975 C.ar 1 UNL11 0.1962 24 C -0.8724 1.6443 0.5978 C.2 1 UNL11 0.5911 25 C 7.2381 -0.3140 1.3620 C.3 1 UNL11 -0.4439 26 C 6.6264 0.0937 -1.0237 C.2 1 UNL11 0.5476 27 C -2.2379 1.0928 0.5736 C.ar 1 UNL11 -0.0302 28 C -2.8541 0.0550 1.2744 C.ar 1 UNL11 -0.2231 29 C -4.3794 1.0690 -0.0971 C.ar 1 UNL11 -0.0213 30 C -4.2165 0.0213 0.8609 C.ar 1 UNL11 0.0231 31 C -5.6313 1.3097 -0.7220 C.ar 1 UNL11 0.1916 32 C -5.3135 -0.7867 1.2154 C.ar 1 UNL11 -0.3232 33 C 8.0155 1.2094 -2.5706 C.3 1 UNL11 -0.1667 34 C -6.6953 0.5039 -0.3675 C.ar 1 UNL11 -0.0159 35 C -6.5236 -0.5324 0.6118 C.ar 1 UNL11 0.2142 36 C -6.8238 2.7956 -2.1404 C.3 1 UNL11 -0.1822 37 C -8.4393 -0.2463 -1.7271 C.3 1 UNL11 -0.2086 38 C -7.6346 -2.2162 1.8501 C.3 1 UNL11 -0.2083 39 H 1.8497 -1.8415 1.6012 H 1 UNL11 0.1787 40 H -0.5765 -1.0301 0.1011 H 1 UNL11 0.1635 41 H -0.3167 -1.0202 1.8776 H 1 UNL11 0.1531 42 H 6.2087 2.3085 0.3938 H 1 UNL11 0.3207 43 H 2.8389 -2.2371 -0.7082 H 1 UNL11 0.1889 44 H 1.4503 -1.3855 -1.4547 H 1 UNL11 0.1683 45 H 1.3870 3.3587 0.9160 H 1 UNL11 0.2066 46 H 6.9409 -0.1785 2.4140 H 1 UNL11 0.1778 47 H 7.4503 -1.3836 1.2147 H 1 UNL11 0.1734 48 H 8.1735 0.2443 1.2214 H 1 UNL11 0.1663 49 H 3.3834 4.6097 0.8236 H 1 UNL11 0.3349 50 H -2.9969 2.5256 -0.8160 H 1 UNL11 0.3345 51 H -2.4170 -0.5878 2.0064 H 1 UNL11 0.1693 52 H -5.1757 -1.5699 1.9496 H 1 UNL11 0.1734 53 H 8.7263 2.0407 -2.4941 H 1 UNL11 0.1486 54 H 7.2044 1.4377 -3.2705 H 1 UNL11 0.1425 55 H 8.5180 0.2787 -2.8564 H 1 UNL11 0.1447 56 H -6.5113 3.6950 -2.6863 H 1 UNL11 0.1447 57 H -7.5320 3.0460 -1.3424 H 1 UNL11 0.1497 58 H -7.2475 2.0491 -2.8183 H 1 UNL11 0.1390 59 H -7.7344 -0.4681 -2.5321 H 1 UNL11 0.1284 60 H -8.6683 -1.1504 -1.1532 H 1 UNL11 0.1437 61 H -9.3604 0.2011 -2.1180 H 1 UNL11 0.1427 62 H -8.6763 -2.5627 1.8729 H 1 UNL11 0.1493 63 H -7.3531 -1.7932 2.8198 H 1 UNL11 0.1385 64 H -6.9634 -3.0290 1.5571 H 1 UNL11 0.1341 @BOND 1 1 21 1 2 2 20 2 3 3 23 1 4 3 49 1 5 4 26 1 6 4 33 1 7 5 24 2 8 6 26 2 9 7 31 1 10 7 36 1 11 8 34 1 12 8 37 1 13 9 35 1 14 9 38 1 15 10 15 1 16 10 17 1 17 10 24 am 18 11 18 1 19 11 19 1 20 11 42 1 21 12 27 ar 22 12 29 ar 23 12 50 1 24 13 14 1 25 13 15 1 26 13 21 1 27 13 39 1 28 14 16 ar 29 14 17 ar 30 15 40 1 31 15 41 1 32 16 19 ar 33 16 20 1 34 17 22 ar 35 18 20 1 36 18 25 1 37 18 26 1 38 19 23 ar 39 21 43 1 40 21 44 1 41 22 23 ar 42 22 45 1 43 24 27 1 44 25 46 1 45 25 47 1 46 25 48 1 47 27 28 ar 48 28 30 ar 49 28 51 1 50 29 30 ar 51 29 31 ar 52 30 32 ar 53 31 34 ar 54 32 35 ar 55 32 52 1 56 33 53 1 57 33 54 1 58 33 55 1 59 34 35 ar 60 36 56 1 61 36 57 1 62 36 58 1 63 37 59 1 64 37 60 1 65 37 61 1 66 38 62 1 67 38 63 1 68 38 64 1