@MOLECULE corticiamide b 81 84 0 0 0 SMALL GASTEIGER @ATOM 1 BR -4.5584 -2.5194 -1.4125 Br 1 UNL111111111 -0.0532 2 CL -2.3864 0.1987 -2.6580 Cl 1 UNL111111111 0.0195 3 CL -3.3649 2.8352 -0.7467 Cl 1 UNL111111111 -0.0198 4 O 0.9632 2.4070 2.1188 O.2 1 UNL111111111 -0.5490 5 O -0.3548 -2.3422 -1.1951 O.3 1 UNL111111111 -0.4891 6 O 2.9485 -0.4185 -0.1225 O.2 1 UNL111111111 -0.5120 7 O 0.1160 -0.0881 0.0467 O.2 1 UNL111111111 -0.4706 8 O 2.7130 -4.1856 -0.5042 O.2 1 UNL111111111 -0.5360 9 O 5.5433 2.6133 0.0687 O.2 1 UNL111111111 -0.5463 10 O 6.9741 -2.4755 0.6865 O.2 1 UNL111111111 -0.5657 11 O 2.4703 2.8289 -2.9606 O.2 1 UNL111111111 -0.5216 12 N -0.6622 -0.7243 2.0745 N.am 1 UNL111111111 -0.6193 13 N 1.8216 0.4657 2.9147 N.am 1 UNL111111111 -0.5972 14 N 4.2969 -1.4829 1.3450 N.am 1 UNL111111111 -0.6067 15 N -4.9839 1.2396 3.2565 N.ar 1 UNL111111111 -0.3705 16 N 3.4742 2.0736 0.7945 N.am 1 UNL111111111 -0.5734 17 N 1.7770 -2.8098 1.0334 N.am 1 UNL111111111 -0.5681 18 N 2.2947 3.8651 -0.9565 N.am 1 UNL111111111 -0.5827 19 N 7.3622 -2.5120 -1.5283 N.am 1 UNL111111111 -0.6791 20 N -0.1363 1.6503 -2.5190 N.ar 1 UNL111111111 -0.0888 21 C -0.6379 0.6649 2.5618 C.3 1 UNL111111111 0.0260 22 C -1.6032 1.5893 1.7865 C.3 1 UNL111111111 -0.2887 23 C -2.9988 1.2830 2.1422 C.ar 1 UNL111111111 -0.0875 24 C 3.9462 0.9610 1.5968 C.3 1 UNL111111111 -0.0230 25 C 3.1915 0.9705 2.9638 C.3 1 UNL111111111 -0.0776 26 C 0.7821 1.2571 2.4623 C.2 1 UNL111111111 0.5853 27 C -3.8435 0.3075 1.5095 C.ar 1 UNL111111111 -0.0713 28 C 4.2552 -2.7304 0.5777 C.3 1 UNL111111111 0.0399 29 C -5.0784 0.2941 2.2386 C.ar 1 UNL111111111 0.0941 30 C -3.7251 1.8458 3.1810 C.ar 1 UNL111111111 -0.0463 31 C -0.5503 -2.3842 0.1892 C.3 1 UNL111111111 0.0384 32 C 3.6941 -0.3425 0.8300 C.2 1 UNL111111111 0.5300 33 C -0.3704 -0.9594 0.7299 C.2 1 UNL111111111 0.4969 34 C 0.4430 -3.3814 0.8267 C.3 1 UNL111111111 -0.1280 35 C 5.0392 -2.6099 -0.7403 C.3 1 UNL111111111 -0.4042 36 C 2.8378 -3.2584 0.2700 C.2 1 UNL111111111 0.5636 37 C -3.6896 -0.5361 0.4030 C.ar 1 UNL111111111 -0.1172 38 C -6.1272 -0.5772 1.9049 C.ar 1 UNL111111111 -0.2049 39 C -4.7393 -1.3691 0.0873 C.ar 1 UNL111111111 -0.0583 40 C 4.3449 2.8034 0.0147 C.2 1 UNL111111111 0.5607 41 C -5.9428 -1.4112 0.8189 C.ar 1 UNL111111111 -0.1234 42 C 6.5168 -2.5235 -0.4406 C.2 1 UNL111111111 0.6134 43 C 3.7444 3.9324 -0.8306 C.3 1 UNL111111111 -0.1387 44 C 1.7651 3.1569 -2.0263 C.2 1 UNL111111111 0.6067 45 C 0.3423 2.8132 -1.9241 C.ar 1 UNL111111111 -0.1138 46 C -0.7140 3.4341 -1.2343 C.ar 1 UNL111111111 -0.1683 47 C -1.4614 1.5128 -2.1917 C.ar 1 UNL111111111 0.0111 48 C -1.8423 2.6094 -1.4041 C.ar 1 UNL111111111 -0.1157 49 C 0.6643 0.7355 -3.3092 C.3 1 UNL111111111 -0.2589 50 H -0.9265 0.6550 3.6493 H 1 UNL111111111 0.1616 51 H -1.4220 1.4754 0.6912 H 1 UNL111111111 0.2017 52 H -1.3552 2.6583 1.9833 H 1 UNL111111111 0.1889 53 H 5.0541 1.0798 1.7855 H 1 UNL111111111 0.1969 54 H 3.1737 2.0284 3.3377 H 1 UNL111111111 0.1825 55 H 3.7680 0.3738 3.7051 H 1 UNL111111111 0.1482 56 H -1.2962 -1.3432 2.5626 H 1 UNL111111111 0.3143 57 H 4.7352 -3.5309 1.2220 H 1 UNL111111111 0.1881 58 H 1.6865 -0.5221 3.0639 H 1 UNL111111111 0.3160 59 H -3.4414 2.6236 3.8653 H 1 UNL111111111 0.1677 60 H -1.6037 -2.7412 0.2868 H 1 UNL111111111 0.1770 61 H 5.0973 -1.4075 1.9691 H 1 UNL111111111 0.3336 62 H 0.0641 -3.7469 1.8065 H 1 UNL111111111 0.1476 63 H 0.5097 -4.2806 0.1562 H 1 UNL111111111 0.2003 64 H -5.7117 1.4858 3.8844 H 1 UNL111111111 0.3132 65 H 2.4665 2.1032 0.6564 H 1 UNL111111111 0.3450 66 H 4.8098 -3.4817 -1.3974 H 1 UNL111111111 0.2042 67 H 4.6960 -1.7188 -1.3137 H 1 UNL111111111 0.2029 68 H -2.7646 -0.5026 -0.1725 H 1 UNL111111111 0.1828 69 H 1.7968 -1.8735 1.4002 H 1 UNL111111111 0.3118 70 H -7.0464 -0.5858 2.4832 H 1 UNL111111111 0.1608 71 H -6.7373 -2.0991 0.5267 H 1 UNL111111111 0.1665 72 H 4.2218 3.8911 -1.8483 H 1 UNL111111111 0.2089 73 H 4.0394 4.9073 -0.3752 H 1 UNL111111111 0.1724 74 H 0.5145 -1.9089 -1.3926 H 1 UNL111111111 0.3355 75 H 1.7519 4.0448 -0.1217 H 1 UNL111111111 0.3250 76 H 8.3511 -2.4410 -1.3941 H 1 UNL111111111 0.3130 77 H 7.0381 -2.5239 -2.4688 H 1 UNL111111111 0.3069 78 H -0.6685 4.3536 -0.6882 H 1 UNL111111111 0.1763 79 H 1.0547 1.2537 -4.2122 H 1 UNL111111111 0.1857 80 H 0.0923 -0.1526 -3.6269 H 1 UNL111111111 0.1695 81 H 1.5439 0.3890 -2.7248 H 1 UNL111111111 0.1845 @BOND 1 1 39 1 2 2 47 1 3 3 48 1 4 4 26 2 5 5 31 1 6 5 74 1 7 6 32 2 8 7 33 2 9 8 36 2 10 9 40 2 11 10 42 2 12 11 44 2 13 12 21 1 14 12 33 am 15 12 56 1 16 13 25 1 17 13 26 am 18 13 58 1 19 14 28 1 20 14 32 am 21 14 61 1 22 15 29 ar 23 15 30 ar 24 15 64 1 25 16 24 1 26 16 40 am 27 16 65 1 28 17 34 1 29 17 36 am 30 17 69 1 31 18 43 1 32 18 44 am 33 18 75 1 34 19 42 am 35 19 76 1 36 19 77 1 37 20 45 ar 38 20 47 ar 39 20 49 1 40 21 22 1 41 21 26 1 42 21 50 1 43 22 23 1 44 22 51 1 45 22 52 1 46 23 27 ar 47 23 30 ar 48 24 25 1 49 24 32 1 50 24 53 1 51 25 54 1 52 25 55 1 53 27 29 ar 54 27 37 ar 55 28 35 1 56 28 36 1 57 28 57 1 58 29 38 ar 59 30 59 1 60 31 33 1 61 31 34 1 62 31 60 1 63 34 62 1 64 34 63 1 65 35 42 1 66 35 66 1 67 35 67 1 68 37 39 ar 69 37 68 1 70 38 41 ar 71 38 70 1 72 39 41 ar 73 40 43 1 74 41 71 1 75 43 72 1 76 43 73 1 77 44 45 1 78 45 46 ar 79 46 48 ar 80 46 78 1 81 47 48 ar 82 49 79 1 83 49 80 1 84 49 81 1