@MOLECULE s-benzyl-n-(4-methyl-2-oxo-2h-chromen-7-yl)-d-cysteinamide 46 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -5.1783 -0.0312 -0.4759 S.3 1 UNL1 -0.0206 2 O 3.3150 0.1462 -1.5983 O.2 1 UNL1 -0.3638 3 O -1.1708 -1.0724 -1.5535 O.2 1 UNL1 -0.4813 4 O 4.9875 0.9670 -2.7231 O.2 1 UNL1 -0.4178 5 N -0.5743 -1.4840 0.6239 N.am 1 UNL1 -0.5461 6 N -3.0237 -3.0391 0.4227 N.3 1 UNL1 -0.6467 7 C -2.9399 -1.6245 0.0206 C.3 1 UNL1 -0.0331 8 C 3.4977 -0.3931 0.7473 C.ar 1 UNL1 -0.2839 9 C -3.9178 -1.2054 -1.0823 C.3 1 UNL1 -0.3802 10 C 0.7797 -1.1371 0.5861 C.ar 1 UNL1 0.3236 11 C 2.7714 -0.3068 -0.4539 C.ar 1 UNL1 0.3496 12 C -1.4829 -1.3771 -0.4311 C.2 1 UNL1 0.5755 13 C 4.8794 0.0191 0.7338 C.ar 1 UNL1 0.2221 14 C 1.4229 -0.6742 -0.5573 C.ar 1 UNL1 -0.3445 15 C 2.8209 -0.8786 1.8821 C.ar 1 UNL1 -0.0059 16 C 1.4954 -1.2456 1.8146 C.ar 1 UNL1 -0.3267 17 C -4.4071 1.6156 -0.7366 C.3 1 UNL1 -0.3335 18 C 5.4213 0.4829 -0.4182 C.ar 1 UNL1 -0.4273 19 C -3.1356 1.7716 0.0207 C.ar 1 UNL1 -0.0110 20 C 5.6870 -0.0734 1.9816 C.3 1 UNL1 -0.4740 21 C 4.6578 0.5744 -1.6384 C.ar 1 UNL1 0.6075 22 C -1.9131 1.7699 -0.6553 C.ar 1 UNL1 -0.1645 23 C -3.1574 1.9390 1.4082 C.ar 1 UNL1 -0.1719 24 C -0.7243 1.9413 0.0479 C.ar 1 UNL1 -0.1274 25 C -1.9658 2.0995 2.1097 C.ar 1 UNL1 -0.1502 26 C -0.7479 2.1043 1.4325 C.ar 1 UNL1 -0.1554 27 H -3.1096 -1.0046 0.9512 H 1 UNL1 0.1830 28 H -3.3839 -0.7684 -1.9542 H 1 UNL1 0.1993 29 H -4.4628 -2.0757 -1.4950 H 1 UNL1 0.1730 30 H 0.9192 -0.5942 -1.5245 H 1 UNL1 0.2270 31 H -0.9298 -1.8691 1.5014 H 1 UNL1 0.3307 32 H 3.3587 -0.9617 2.8286 H 1 UNL1 0.1489 33 H 0.9888 -1.6187 2.6998 H 1 UNL1 0.1635 34 H -5.1663 2.3572 -0.4073 H 1 UNL1 0.1782 35 H -4.2677 1.7934 -1.8222 H 1 UNL1 0.1715 36 H 6.4552 0.8109 -0.4950 H 1 UNL1 0.1924 37 H -3.9001 -3.2490 0.8763 H 1 UNL1 0.2653 38 H -2.8987 -3.6691 -0.3569 H 1 UNL1 0.2626 39 H 6.7252 0.2654 1.8437 H 1 UNL1 0.1675 40 H 5.7383 -1.1101 2.3499 H 1 UNL1 0.1706 41 H 5.2564 0.5414 2.7870 H 1 UNL1 0.1693 42 H -1.8804 1.6281 -1.7357 H 1 UNL1 0.1658 43 H -4.1048 1.9476 1.9430 H 1 UNL1 0.1547 44 H 0.2266 1.9398 -0.4864 H 1 UNL1 0.1656 45 H -1.9868 2.2299 3.1895 H 1 UNL1 0.1467 46 H 0.1817 2.2365 1.9801 H 1 UNL1 0.1518 @BOND 1 4 21 2 2 28 9 1 3 35 17 1 4 42 22 1 5 21 2 ar 6 21 18 ar 7 2 11 ar 8 3 12 2 9 30 14 1 10 29 9 1 11 9 1 1 12 9 7 1 13 17 1 1 14 17 34 1 15 17 19 1 16 22 19 ar 17 22 24 ar 18 14 11 ar 19 14 10 ar 20 36 18 1 21 44 24 1 22 11 8 ar 23 12 7 1 24 12 5 am 25 18 13 ar 26 38 6 1 27 7 6 1 28 7 27 1 29 19 23 ar 30 24 26 ar 31 6 37 1 32 10 5 1 33 10 16 ar 34 5 31 1 35 13 8 ar 36 13 20 1 37 8 15 ar 38 23 43 1 39 23 25 ar 40 26 46 1 41 26 25 ar 42 16 15 ar 43 16 33 1 44 39 20 1 45 15 32 1 46 20 40 1 47 20 41 1 48 25 45 1