@MOLECULE nalpha-[(1-benzofuran-2-ylmethoxy)carbonyl]-n-benzyl-n-methyl-l-tryptophanamide 58 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1835 -0.3182 1.9782 O.2 1 UNL111111 -0.5483 2 O 0.4341 1.9903 0.7775 O.3 1 UNL111111 -0.4052 3 O 3.4351 2.8091 0.6840 O.2 1 UNL111111 -0.1493 4 O -0.2347 0.9695 -1.1584 O.2 1 UNL111111 -0.5600 5 N -4.0095 -1.3119 0.1327 N.am 1 UNL111111 -0.4685 6 N -0.7590 0.1138 0.9236 N.am 1 UNL111111 -0.5675 7 N 1.5262 -3.7866 -1.3699 N.ar 1 UNL111111 -0.3766 8 C -1.5239 -1.0095 0.3936 C.3 1 UNL111111 0.0343 9 C -0.9766 -2.3457 0.9471 C.3 1 UNL111111 -0.2726 10 C 0.2127 -2.7775 0.1882 C.ar 1 UNL111111 -0.1029 11 C 1.5808 -2.4409 0.4754 C.ar 1 UNL111111 -0.0685 12 C -2.9699 -0.8261 0.8923 C.2 1 UNL111111 0.5339 13 C 2.3815 -3.0889 -0.5178 C.ar 1 UNL111111 0.1051 14 C 0.2127 -3.5920 -0.9343 C.ar 1 UNL111111 -0.0527 15 C -5.3781 -0.9990 0.5636 C.3 1 UNL111111 -0.0740 16 C 2.2079 -1.6677 1.4590 C.ar 1 UNL111111 -0.0985 17 C 3.7793 -2.9800 -0.5365 C.ar 1 UNL111111 -0.2180 18 C -3.8203 -1.7874 -1.2367 C.3 1 UNL111111 -0.2308 19 C 3.5858 -1.5664 1.4419 C.ar 1 UNL111111 -0.1972 20 C -5.8835 0.3235 0.0432 C.ar 1 UNL111111 -0.0898 21 C 4.3616 -2.2143 0.4548 C.ar 1 UNL111111 -0.1048 22 C -0.2005 1.0075 0.0519 C.2 1 UNL111111 0.7202 23 C -6.5171 0.3774 -1.2036 C.ar 1 UNL111111 -0.1251 24 C -5.7535 1.4700 0.8379 C.ar 1 UNL111111 -0.1018 25 C 1.1431 2.9528 0.0043 C.3 1 UNL111111 -0.0133 26 C 2.4985 2.4526 -0.2975 C.ar 1 UNL111111 0.0858 27 C 4.4445 1.5730 -1.0102 C.ar 1 UNL111111 -0.0571 28 C 3.0531 1.7214 -1.3102 C.ar 1 UNL111111 -0.1849 29 C 4.6232 2.2852 0.2720 C.ar 1 UNL111111 0.1107 30 C -7.0722 1.5808 -1.6622 C.ar 1 UNL111111 -0.2085 31 C -6.3047 2.6871 0.4131 C.ar 1 UNL111111 -0.2030 32 C -6.9201 2.6207 -0.7978 C.ar 1 UNL111111 0.0298 33 C 5.5873 1.0101 -1.5200 C.ar 1 UNL111111 0.0067 34 C 5.8744 2.3222 0.8283 C.ar 1 UNL111111 -0.0667 35 C 6.7548 1.0912 -0.9180 C.ar 1 UNL111111 -0.0401 36 C 6.8976 1.7370 0.2396 C.ar 1 UNL111111 0.0136 37 H -1.4612 -1.0051 -0.7307 H 1 UNL111111 0.1900 38 H -1.7717 -3.1200 0.9052 H 1 UNL111111 0.1594 39 H -0.7366 -2.2401 2.0291 H 1 UNL111111 0.1734 40 H -0.6089 -4.0478 -1.4512 H 1 UNL111111 0.1589 41 H -0.8000 0.2845 1.9235 H 1 UNL111111 0.3454 42 H 1.8042 -4.3210 -2.1564 H 1 UNL111111 0.3100 43 H -5.3970 -1.0013 1.6874 H 1 UNL111111 0.1787 44 H -6.0541 -1.8290 0.2556 H 1 UNL111111 0.1440 45 H 1.6105 -1.1576 2.2130 H 1 UNL111111 0.1565 46 H 4.3701 -3.4753 -1.2978 H 1 UNL111111 0.1567 47 H -2.9991 -2.5280 -1.2769 H 1 UNL111111 0.1509 48 H -3.5927 -0.9594 -1.9336 H 1 UNL111111 0.1501 49 H -4.7264 -2.2966 -1.6040 H 1 UNL111111 0.1496 50 H 4.0944 -0.9725 2.1997 H 1 UNL111111 0.1560 51 H 5.4449 -2.0980 0.4850 H 1 UNL111111 0.1520 52 H 0.5788 3.2131 -0.9183 H 1 UNL111111 0.1734 53 H 1.1551 3.8260 0.6949 H 1 UNL111111 0.1692 54 H -6.5846 -0.5125 -1.8237 H 1 UNL111111 0.1484 55 H -5.2190 1.4154 1.7885 H 1 UNL111111 0.1768 56 H 2.5601 1.3091 -2.1739 H 1 UNL111111 0.1984 57 H -7.5799 1.6630 -2.6155 H 1 UNL111111 0.1713 58 H -6.2400 3.5920 1.0048 H 1 UNL111111 0.1764 @BOND 1 57 30 1 2 32 30 ar 3 32 31 ar 4 30 23 ar 5 58 31 1 6 31 24 ar 7 23 54 1 8 23 20 ar 9 24 20 ar 10 24 55 1 11 20 15 1 12 48 18 1 13 49 18 1 14 44 15 1 15 15 5 1 16 15 43 1 17 18 5 1 18 18 47 1 19 52 25 1 20 5 12 am 21 4 22 2 22 53 25 1 23 25 2 1 24 25 26 1 25 37 8 1 26 56 28 1 27 12 1 2 28 12 8 1 29 22 2 1 30 22 6 am 31 8 6 1 32 8 9 1 33 26 28 ar 34 26 3 ar 35 28 27 ar 36 6 41 1 37 40 14 1 38 3 29 ar 39 27 29 ar 40 27 33 ar 41 38 9 1 42 9 10 1 43 9 39 1 44 14 10 ar 45 14 7 ar 46 29 34 ar 47 33 35 ar 48 10 11 ar 49 42 7 1 50 7 13 ar 51 11 13 ar 52 11 16 ar 53 34 36 ar 54 13 17 ar 55 35 36 ar 56 45 16 1 57 16 19 ar 58 17 46 1 59 17 21 ar 60 19 21 ar 61 19 50 1 62 21 51 1