@MOLECULE 4-nitrophenyl s-(9h-fluoren-9-ylmethyl)-n-{[(2-methyl-2-propanyl)oxy]carbonyl}-l-cysteinate 65 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.1199 -0.4714 2.1552 C.3 1 UNL1 0.0774 2 C 5.9335 0.9307 -2.5699 C.ar 1 UNL1 -0.1368 3 C 6.0959 3.1556 -0.2006 C.ar 1 UNL1 -0.1410 4 C 4.1047 -1.0823 -1.7925 C.ar 1 UNL1 -0.1650 5 C 4.3391 2.3975 1.8815 C.ar 1 UNL1 -0.1543 6 C 5.6817 -0.1685 -3.3996 C.ar 1 UNL1 -0.1507 7 C 5.9786 3.9360 0.9553 C.ar 1 UNL1 -0.1513 8 C 4.7845 -1.1607 -3.0153 C.ar 1 UNL1 -0.1354 9 C 5.1154 3.5607 1.9796 C.ar 1 UNL1 -0.1422 10 C -5.3169 0.2742 0.8766 C.ar 1 UNL1 -0.2572 11 C -4.0377 1.7677 -0.5916 C.ar 1 UNL1 -0.2389 12 C -6.4791 0.6139 0.1929 C.ar 1 UNL1 -0.0354 13 C -5.2020 2.1054 -1.2627 C.ar 1 UNL1 -0.0412 14 C 2.2218 0.4971 0.2176 C.3 1 UNL1 -0.3183 15 C -0.3584 0.6161 1.3940 C.3 1 UNL1 -0.3526 16 C 1.6436 -3.7978 -0.9628 C.3 1 UNL1 -0.5086 17 C -0.8051 -4.4312 -1.2021 C.3 1 UNL1 -0.5136 18 C 0.7006 -5.7519 0.3481 C.3 1 UNL1 -0.4864 19 H -0.5402 -2.4099 2.8081 H 1 UNL1 0.3352 20 C -4.1157 0.8539 0.4701 C.ar 1 UNL1 0.3083 21 C -6.4147 1.5248 -0.8666 C.ar 1 UNL1 -0.1330 22 O -3.3576 -1.4343 1.8411 O.2 1 UNL1 -0.4404 23 O -0.3186 -1.6901 -0.2939 O.2 1 UNL1 -0.5814 24 O -7.5556 2.6884 -2.4844 O.2 1 UNL1 -0.4059 25 C -2.5911 -0.5316 1.6947 C.2 1 UNL1 0.5581 26 C -0.2640 -2.3139 0.7443 C.2 1 UNL1 0.7610 27 O -2.9128 0.6552 1.0903 O.3 1 UNL1 -0.4198 28 O 0.1019 -3.6067 0.8934 O.3 1 UNL1 -0.4746 29 C 3.7302 0.3380 0.3742 C.3 1 UNL1 -0.1204 30 C 5.2636 1.0095 -1.3619 C.ar 1 UNL1 -0.0310 31 C 5.3272 2.0103 -0.3014 C.ar 1 UNL1 -0.0363 32 C 4.3424 0.0048 -0.9768 C.ar 1 UNL1 -0.0194 33 C 4.4373 1.6320 0.7372 C.ar 1 UNL1 -0.0168 34 N -0.5685 -1.8073 1.9972 N.am 1 UNL1 -0.5968 35 O -8.6757 1.3481 -1.2289 O.2 1 UNL1 -0.4040 36 C 0.4124 -4.3901 -0.2904 C.3 1 UNL1 0.3863 37 N -7.6313 1.8771 -1.5750 N.pl3 1 UNL1 0.6339 38 S 1.4128 0.6200 1.8634 S.3 1 UNL1 -0.0100 39 H 3.9853 -0.4618 1.1135 H 1 UNL1 0.1762 40 H 6.6374 1.7021 -2.8698 H 1 UNL1 0.1553 41 H 6.7778 3.4428 -0.9964 H 1 UNL1 0.1554 42 H 3.4064 -1.8620 -1.5010 H 1 UNL1 0.1567 43 H 3.6825 2.1190 2.7022 H 1 UNL1 0.1647 44 H 1.9897 1.3985 -0.3812 H 1 UNL1 0.1677 45 H 1.7945 -0.3662 -0.3361 H 1 UNL1 0.1814 46 H 6.1967 -0.2450 -4.3553 H 1 UNL1 0.1490 47 H 6.5733 4.8422 1.0514 H 1 UNL1 0.1497 48 H 4.6042 -2.0103 -3.6710 H 1 UNL1 0.1478 49 H 5.0396 4.1751 2.8750 H 1 UNL1 0.1478 50 H -1.1386 -0.2256 3.2603 H 1 UNL1 0.1774 51 H -0.4715 0.4840 0.2952 H 1 UNL1 0.2025 52 H -0.7858 1.6135 1.6214 H 1 UNL1 0.1783 53 H -5.3535 -0.4360 1.7038 H 1 UNL1 0.1982 54 H -3.0751 2.1911 -0.8756 H 1 UNL1 0.1855 55 H -7.4401 0.1714 0.4806 H 1 UNL1 0.1880 56 H -5.1795 2.8152 -2.0976 H 1 UNL1 0.1878 57 H 2.4434 -3.6172 -0.2338 H 1 UNL1 0.1615 58 H 2.0364 -4.4664 -1.7360 H 1 UNL1 0.1593 59 H 1.4077 -2.8367 -1.4458 H 1 UNL1 0.1787 60 H -0.9843 -3.4582 -1.6857 H 1 UNL1 0.1833 61 H -0.6857 -5.1742 -1.9974 H 1 UNL1 0.1592 62 H -1.7164 -4.6800 -0.6439 H 1 UNL1 0.1638 63 H -0.1759 -6.1310 0.8887 H 1 UNL1 0.1629 64 H 0.9755 -6.4903 -0.4113 H 1 UNL1 0.1583 65 H 1.5218 -5.6868 1.0727 H 1 UNL1 0.1621 @BOND 1 46 6 1 2 48 8 1 3 6 8 ar 4 6 2 ar 5 8 4 ar 6 40 2 1 7 2 30 ar 8 24 37 2 9 56 13 1 10 61 17 1 11 4 42 1 12 4 32 ar 13 58 16 1 14 60 17 1 15 37 35 2 16 37 21 1 17 59 16 1 18 30 32 ar 19 30 31 1 20 13 21 ar 21 13 11 ar 22 17 62 1 23 17 36 1 24 41 3 1 25 32 29 1 26 16 36 1 27 16 57 1 28 54 11 1 29 21 12 ar 30 11 20 ar 31 64 18 1 32 44 14 1 33 45 14 1 34 31 3 ar 35 31 33 ar 36 23 26 2 37 36 18 1 38 36 28 1 39 3 7 ar 40 12 55 1 41 12 10 ar 42 14 29 1 43 14 38 1 44 51 15 1 45 18 63 1 46 18 65 1 47 29 33 1 48 29 39 1 49 20 10 ar 50 20 27 1 51 33 5 ar 52 26 28 1 53 26 34 am 54 10 53 1 55 7 47 1 56 7 9 ar 57 27 25 1 58 15 52 1 59 15 38 1 60 15 1 1 61 25 22 2 62 25 1 1 63 5 9 ar 64 5 43 1 65 9 49 1 66 34 1 1 67 34 19 1 68 1 50 1