@MOLECULE 2-(2,4-dinitrophenoxy)-3-iodo-1-isopropyl-4-methyl-5-nitrobenzene 41 42 0 0 0 SMALL USER_CHARGES @ATOM 1 I -0.6868 2.4748 -0.1351 I 1 UNL111111 0.0836 2 O 0.3455 -0.4162 -1.0995 O.3 1 UNL111111 -0.2124 3 O -5.0376 -2.2586 1.3714 O.2 1 UNL111111 -0.3904 4 O -5.6501 -0.2852 0.7750 O.2 1 UNL111111 -0.3809 5 O 3.9140 -0.0659 -2.8265 O.2 1 UNL111111 -0.3996 6 O 1.7735 0.0008 -3.0290 O.2 1 UNL111111 -0.3611 7 O 4.8587 -0.7390 3.2090 O.2 1 UNL111111 -0.4007 8 O 6.0323 -0.3689 1.4407 O.2 1 UNL111111 -0.3838 9 N -4.8085 -1.1549 0.9045 N.pl3 1 UNL111111 0.6268 10 N 2.7845 -0.1043 -2.3624 N.pl3 1 UNL111111 0.6432 11 N 4.9687 -0.5388 2.0104 N.pl3 1 UNL111111 0.6371 12 C -0.6476 -3.0185 -1.0088 C.3 1 UNL111111 -0.0651 13 C -1.4423 -1.8461 -0.5020 C.ar 1 UNL111111 -0.0490 14 C -0.9017 -0.5553 -0.4908 C.ar 1 UNL111111 0.1455 15 C -2.7390 -1.9959 -0.0237 C.ar 1 UNL111111 -0.0874 16 C -1.4654 -3.8315 -2.0179 C.3 1 UNL111111 -0.4399 17 C -0.2157 -3.8866 0.1791 C.3 1 UNL111111 -0.4477 18 C -2.8908 0.4047 0.4950 C.ar 1 UNL111111 0.1139 19 C -3.4441 -0.8884 0.4533 C.ar 1 UNL111111 -0.1106 20 C -1.5940 0.5595 -0.0205 C.ar 1 UNL111111 -0.1748 21 C -3.6602 1.5363 1.0714 C.3 1 UNL111111 -0.4644 22 C 1.4208 -0.4404 -0.2837 C.ar 1 UNL111111 0.3235 23 C 2.6690 -0.2913 -0.9262 C.ar 1 UNL111111 -0.2083 24 C 1.3494 -0.6154 1.1085 C.ar 1 UNL111111 -0.3236 25 C 3.8405 -0.3240 -0.1635 C.ar 1 UNL111111 0.0410 26 C 3.7535 -0.5022 1.2152 C.ar 1 UNL111111 -0.1757 27 C 2.5117 -0.6462 1.8572 C.ar 1 UNL111111 0.0349 28 H 0.2738 -2.6561 -1.5383 H 1 UNL111111 0.1563 29 H -3.2075 -2.9897 -0.0165 H 1 UNL111111 0.2007 30 H -2.3220 -4.3321 -1.5546 H 1 UNL111111 0.1490 31 H -0.8481 -4.6107 -2.4824 H 1 UNL111111 0.1534 32 H -1.8451 -3.1944 -2.8271 H 1 UNL111111 0.1571 33 H 0.3948 -3.3220 0.8920 H 1 UNL111111 0.1428 34 H 0.3818 -4.7426 -0.1580 H 1 UNL111111 0.1551 35 H -1.0770 -4.2881 0.7259 H 1 UNL111111 0.1545 36 H -4.4076 1.2277 1.8231 H 1 UNL111111 0.1873 37 H -3.0457 2.2862 1.5886 H 1 UNL111111 0.1717 38 H -4.2338 2.0640 0.2856 H 1 UNL111111 0.1940 39 H 0.3820 -0.7267 1.5994 H 1 UNL111111 0.1909 40 H 4.8254 -0.2090 -0.6552 H 1 UNL111111 0.2210 41 H 2.4724 -0.7827 2.9470 H 1 UNL111111 0.1919 @BOND 1 6 10 2 2 5 10 2 3 32 16 1 4 31 16 1 5 10 23 1 6 16 30 1 7 16 12 1 8 28 12 1 9 2 14 1 10 2 22 1 11 12 13 1 12 12 17 1 13 23 22 ar 14 23 25 ar 15 40 25 1 16 13 14 ar 17 13 15 ar 18 14 20 ar 19 22 24 ar 20 25 26 ar 21 34 17 1 22 1 20 1 23 20 18 ar 24 15 29 1 25 15 19 ar 26 17 35 1 27 17 33 1 28 38 21 1 29 19 18 ar 30 19 9 1 31 18 21 1 32 4 9 2 33 9 3 2 34 21 37 1 35 21 36 1 36 24 39 1 37 24 27 ar 38 26 27 ar 39 26 11 1 40 8 11 2 41 27 41 1 42 11 7 2