@MOLECULE propanal, 2,2-dimethyl-, (2,4-dinitrophenyl)hydrazone 33 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.3941 1.2184 -0.0522 C.ar 1 UNL1 -0.2817 2 C 2.5932 -0.5248 0.0034 C.ar 1 UNL1 0.0630 3 C 1.6646 1.7264 -0.0364 C.ar 1 UNL1 0.0216 4 C -4.1311 2.0880 0.1170 C.3 1 UNL1 -0.4545 5 C -5.3627 0.2267 1.2648 C.3 1 UNL1 -0.4652 6 C -5.3732 0.3914 -1.2540 C.3 1 UNL1 -0.4648 7 H -1.2495 -1.7332 -0.0602 H 1 UNL1 0.3443 8 C 0.1612 -0.1912 -0.0412 C.ar 1 UNL1 0.3638 9 C 1.2950 -1.0620 -0.0139 C.ar 1 UNL1 -0.2871 10 C 2.7750 0.8475 -0.0064 C.ar 1 UNL1 -0.2016 11 O 0.0535 -2.9999 -0.0205 O.2 1 UNL1 -0.4913 12 O 5.0556 0.6323 0.0462 O.2 1 UNL1 -0.4026 13 C -3.3568 -0.3229 -0.0405 C.2 1 UNL1 -0.0328 14 N -2.1608 0.1678 -0.0237 N.2 1 UNL1 -0.1892 15 O 2.1896 -3.1670 0.0422 O.2 1 UNL1 -0.3582 16 O 4.2273 2.6188 0.0088 O.2 1 UNL1 -0.4147 17 C -4.5479 0.6176 0.0217 C.3 1 UNL1 0.1281 18 N -1.1018 -0.7101 -0.0662 N.pl3 1 UNL1 -0.3412 19 N 1.1780 -2.4930 0.0036 N.pl3 1 UNL1 0.6678 20 N 4.1097 1.4030 0.0174 N.pl3 1 UNL1 0.6470 21 H -0.4725 1.8861 -0.0738 H 1 UNL1 0.2019 22 H 3.4663 -1.2035 0.0272 H 1 UNL1 0.2133 23 H 1.8402 2.8103 -0.0459 H 1 UNL1 0.1864 24 H -3.6168 -1.3882 -0.0921 H 1 UNL1 0.1572 25 H -3.5329 2.3933 -0.7507 H 1 UNL1 0.1574 26 H -5.0031 2.7480 0.1690 H 1 UNL1 0.1484 27 H -3.5177 2.2750 1.0076 H 1 UNL1 0.1578 28 H -4.7704 0.3335 2.1814 H 1 UNL1 0.1554 29 H -6.2443 0.8698 1.3731 H 1 UNL1 0.1577 30 H -5.7208 -0.8072 1.2160 H 1 UNL1 0.1504 31 H -5.7298 -0.6406 -1.3386 H 1 UNL1 0.1504 32 H -6.2569 1.0408 -1.2679 H 1 UNL1 0.1575 33 H -4.7900 0.6197 -2.1542 H 1 UNL1 0.1554 @BOND 1 33 6 1 2 31 6 1 3 32 6 1 4 6 17 1 5 25 4 1 6 24 13 1 7 21 1 1 8 18 7 1 9 18 8 1 10 18 14 1 11 1 8 ar 12 1 3 ar 13 23 3 1 14 8 9 ar 15 13 14 2 16 13 17 1 17 3 10 ar 18 11 19 2 19 9 2 ar 20 9 19 1 21 10 2 ar 22 10 20 1 23 2 22 1 24 19 15 2 25 16 20 2 26 20 12 2 27 17 4 1 28 17 5 1 29 4 26 1 30 4 27 1 31 30 5 1 32 5 29 1 33 5 28 1