@MOLECULE 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl [2,2,2-trichloro-1-(2-pyrimidinylamino)ethyl]carbamate 41 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -4.0340 -0.9651 -1.2899 Cl 1 UNL1 -0.0914 2 CL -4.1406 0.5133 1.1586 Cl 1 UNL1 -0.0212 3 CL -3.2552 -2.2082 1.1626 Cl 1 UNL1 -0.0458 4 O 0.8420 -2.4134 -1.0333 O.3 1 UNL1 -0.4369 5 O 0.6254 -1.3604 0.9887 O.2 1 UNL1 -0.4921 6 O 4.9049 -0.3488 2.1737 O.2 1 UNL1 -0.3746 7 O 4.6173 -2.0077 0.8262 O.2 1 UNL1 -0.4579 8 N 3.0473 -0.4163 -0.8778 N.ar 1 UNL1 -0.2279 9 N -1.0229 -1.2449 -0.6254 N.am 1 UNL1 -0.6485 10 N -1.8036 1.0255 -0.6670 N.pl3 1 UNL1 -0.5471 11 N 2.4974 1.7394 -0.5216 N.ar 1 UNL1 -0.4266 12 N 4.4335 -0.8438 1.1650 N.pl3 1 UNL1 0.6854 13 N -0.6393 2.9910 -1.1944 N.ar 1 UNL1 -0.5082 14 N -0.6686 2.1504 1.0827 N.ar 1 UNL1 -0.4868 15 C 3.1072 -1.7491 -1.4584 C.3 1 UNL1 -0.1221 16 C 2.1925 -2.7398 -0.7171 C.3 1 UNL1 -0.0211 17 C -1.7836 -0.2224 0.0907 C.3 1 UNL1 0.2478 18 C 2.3503 0.6783 -1.3646 C.ar 1 UNL1 0.2795 19 C 3.6394 -0.0146 0.3323 C.ar 1 UNL1 -0.1400 20 C 3.2779 1.3342 0.5265 C.ar 1 UNL1 0.0719 21 C -3.2479 -0.6982 0.2683 C.3 1 UNL1 0.0806 22 C 1.5818 0.6975 -2.6202 C.3 1 UNL1 -0.4581 23 C 0.1947 -1.6440 -0.0999 C.2 1 UNL1 0.7212 24 C -0.9962 2.0783 -0.2399 C.ar 1 UNL1 0.5065 25 C 0.0839 4.0457 -0.7754 C.ar 1 UNL1 0.1775 26 C 0.0567 3.2149 1.4682 C.ar 1 UNL1 0.1730 27 C 0.4507 4.2112 0.5665 C.ar 1 UNL1 -0.3697 28 H 4.1638 -2.1268 -1.4247 H 1 UNL1 0.1923 29 H 2.8174 -1.6932 -2.5351 H 1 UNL1 0.1669 30 H 2.3705 -2.7519 0.3786 H 1 UNL1 0.1856 31 H 2.2977 -3.7673 -1.1175 H 1 UNL1 0.1612 32 H -1.3146 -0.0521 1.1312 H 1 UNL1 0.2548 33 H -1.3105 -1.5409 -1.5488 H 1 UNL1 0.3365 34 H 3.5425 1.9891 1.3424 H 1 UNL1 0.2029 35 H -1.9950 0.9799 -1.6670 H 1 UNL1 0.3305 36 H 2.2361 0.8060 -3.5018 H 1 UNL1 0.1818 37 H 0.9639 -0.2026 -2.7587 H 1 UNL1 0.1725 38 H 0.8922 1.5706 -2.6415 H 1 UNL1 0.2109 39 H 0.3761 4.7612 -1.5549 H 1 UNL1 0.1748 40 H 0.3193 3.2465 2.5347 H 1 UNL1 0.1798 41 H 1.0422 5.0594 0.8855 H 1 UNL1 0.1817 @BOND 1 36 22 1 2 37 22 1 3 38 22 1 4 22 18 1 5 29 15 1 6 35 10 1 7 39 25 1 8 33 9 1 9 15 28 1 10 15 8 1 11 15 16 1 12 18 8 ar 13 18 11 ar 14 1 21 1 15 13 25 ar 16 13 24 ar 17 31 16 1 18 4 16 1 19 4 23 1 20 8 19 ar 21 25 27 ar 22 16 30 1 23 10 24 1 24 10 17 1 25 9 23 am 26 9 17 1 27 11 20 ar 28 24 14 ar 29 23 5 2 30 17 21 1 31 17 32 1 32 21 2 1 33 21 3 1 34 19 20 ar 35 19 12 1 36 20 34 1 37 27 41 1 38 27 26 ar 39 7 12 2 40 14 26 ar 41 12 6 2 42 26 40 1