@MOLECULE 6-{[(4-hydroxy-3-nitrophenyl)acetyl]amino}hexanoate 39 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.5820 0.8316 0.8298 C.ar 1 UNL1 -0.0840 2 C 3.3348 -0.3233 0.8922 C.ar 1 UNL1 -0.0438 3 C 4.5005 -0.4514 0.1087 C.ar 1 UNL1 -0.2731 4 N 5.2513 -1.6697 0.1789 N.pl3 1 UNL1 0.6630 5 O 4.8396 -2.5851 0.8659 O.2 1 UNL1 -0.3680 6 O 6.2966 -1.7550 -0.4752 O.2 1 UNL1 -0.4728 7 C 4.8906 0.6131 -0.7259 C.ar 1 UNL1 0.3787 8 O 5.9735 0.5943 -1.5016 O.3 1 UNL1 -0.4429 9 C 4.1172 1.7933 -0.7846 C.ar 1 UNL1 -0.2685 10 C 2.9798 1.8930 -0.0159 C.ar 1 UNL1 -0.0244 11 C 1.3349 0.9793 1.6365 C.3 1 UNL1 -0.3649 12 C 0.1503 1.1317 0.6940 C.2 1 UNL1 0.5902 13 O -0.2997 2.2166 0.3886 O.2 1 UNL1 -0.5368 14 N -0.3695 -0.0368 0.1835 N.am 1 UNL1 -0.6019 15 C -1.5341 0.0024 -0.7055 C.3 1 UNL1 -0.0656 16 C -2.8208 -0.3180 0.0786 C.3 1 UNL1 -0.3021 17 C -4.0469 -0.1111 -0.8154 C.3 1 UNL1 -0.2668 18 C -5.3310 -0.3897 -0.0250 C.3 1 UNL1 -0.2568 19 C -6.5588 -0.0801 -0.8811 C.3 1 UNL1 -0.3262 20 C -7.8052 -0.3615 -0.0348 C.2 1 UNL1 0.4942 21 O -8.1048 0.2071 0.9847 O.co2 1 UNL1 -0.4443 22 O -8.4571 -1.3218 -0.6260 O.co2 1 UNL1 -0.1432 23 H 3.0441 -1.1534 1.5452 H 1 UNL1 0.1807 24 H 6.4857 -0.2843 -1.4046 H 1 UNL1 0.3782 25 H 4.4406 2.5996 -1.4435 H 1 UNL1 0.1914 26 H 2.3590 2.7966 -0.0557 H 1 UNL1 0.1798 27 H 1.1839 0.1429 2.3467 H 1 UNL1 0.1702 28 H 1.3906 1.8905 2.2794 H 1 UNL1 0.1935 29 H 0.0040 -0.9368 0.4227 H 1 UNL1 0.3119 30 H -1.6119 1.0163 -1.1706 H 1 UNL1 0.1697 31 H -1.3850 -0.7231 -1.5348 H 1 UNL1 0.1349 32 H -2.7894 -1.3519 0.4658 H 1 UNL1 0.1414 33 H -2.8828 0.3396 0.9694 H 1 UNL1 0.1587 34 H -4.0576 0.9270 -1.2036 H 1 UNL1 0.1472 35 H -3.9913 -0.7703 -1.7020 H 1 UNL1 0.1390 36 H -5.3475 -1.4437 0.3149 H 1 UNL1 0.1478 37 H -5.3516 0.2249 0.9008 H 1 UNL1 0.1646 38 H -6.5915 0.9921 -1.1710 H 1 UNL1 0.1833 39 H -6.5480 -0.6605 -1.8232 H 1 UNL1 0.1677 @BOND 1 39 19 1 2 35 17 1 3 31 15 1 4 8 24 1 5 8 7 1 6 25 9 1 7 34 17 1 8 38 19 1 9 30 15 1 10 19 20 1 11 19 18 1 12 17 18 1 13 17 16 1 14 9 7 ar 15 9 10 ar 16 7 3 ar 17 15 16 1 18 15 14 1 19 22 20 ar 20 6 4 2 21 26 10 1 22 20 21 ar 23 18 36 1 24 18 37 1 25 10 1 ar 26 16 32 1 27 16 33 1 28 3 4 1 29 3 2 ar 30 4 5 2 31 14 29 1 32 14 12 am 33 13 12 2 34 12 11 1 35 1 2 ar 36 1 11 1 37 2 23 1 38 11 28 1 39 11 27 1