@MOLECULE 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione 42 44 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.1402 -0.8930 0.1393 O.3 1 UNL11111111 -0.3242 2 O 4.1912 3.1421 -0.4236 O.2 1 UNL11111111 -0.2669 3 O 1.6389 2.2531 0.5704 O.2 1 UNL11111111 -0.4316 4 O 5.5215 -1.2786 -0.6861 O.2 1 UNL11111111 -0.4493 5 O -6.9273 1.4291 0.3892 O.2 1 UNL11111111 -0.4158 6 O -7.1580 -0.1200 -1.0847 O.2 1 UNL11111111 -0.4132 7 N 2.7756 -2.1755 0.0831 N.ar 1 UNL11111111 -0.1128 8 N -6.4804 0.5205 -0.2951 N.pl3 1 UNL11111111 0.6422 9 C 1.1069 -0.7364 0.5939 C.ar 1 UNL11111111 -0.0732 10 C 2.2634 0.0123 0.2669 C.ar 1 UNL11111111 -0.2280 11 C 3.2866 -0.9073 -0.0454 C.ar 1 UNL11111111 -0.0752 12 C 1.4424 -2.0964 0.4745 C.ar 1 UNL11111111 0.0833 13 C -0.2055 -0.1743 0.9691 C.3 1 UNL11111111 -0.0304 14 C 2.4704 1.4431 0.2339 C.2 1 UNL11111111 0.4506 15 C 4.6398 -0.4841 -0.4465 C.2 1 UNL11111111 0.5056 16 C 0.6059 -3.2892 0.6893 C.3 1 UNL11111111 -0.4411 17 C 3.4974 -3.4102 -0.1524 C.3 1 UNL11111111 -0.2721 18 C 3.8414 1.8571 -0.2500 C.2 1 UNL11111111 0.1979 19 C 4.8158 0.9639 -0.5386 C.2 1 UNL11111111 -0.4088 20 C -2.4122 -0.4582 0.1027 C.ar 1 UNL11111111 0.3149 21 C -2.9396 0.5858 0.8717 C.ar 1 UNL11111111 -0.3292 22 C -3.2110 -1.1861 -0.8050 C.ar 1 UNL11111111 -0.2795 23 C 3.2360 4.1664 -0.1550 C.3 1 UNL11111111 -0.1968 24 C -4.2834 0.9062 0.7348 C.ar 1 UNL11111111 0.0029 25 C -4.5469 -0.8597 -0.9333 C.ar 1 UNL11111111 -0.0127 26 C -5.0807 0.1853 -0.1608 C.ar 1 UNL11111111 -0.1762 27 H -0.4653 -0.3673 2.0285 H 1 UNL11111111 0.1445 28 H -0.2685 0.9150 0.7541 H 1 UNL11111111 0.1719 29 H 0.4344 -3.8473 -0.2457 H 1 UNL11111111 0.1679 30 H 1.0435 -3.9863 1.4201 H 1 UNL11111111 0.1618 31 H -0.3944 -3.0124 1.0686 H 1 UNL11111111 0.1824 32 H 3.0101 -4.0044 -0.9482 H 1 UNL11111111 0.1633 33 H 4.5447 -3.2104 -0.4737 H 1 UNL11111111 0.2049 34 H 3.5418 -4.0221 0.7681 H 1 UNL11111111 0.1623 35 H 5.8032 1.2948 -0.8703 H 1 UNL11111111 0.2070 36 H -2.3193 1.1455 1.5659 H 1 UNL11111111 0.1770 37 H -2.7617 -1.9851 -1.3910 H 1 UNL11111111 0.1813 38 H 3.8054 5.0691 -0.4150 H 1 UNL11111111 0.1487 39 H 2.9546 4.1722 0.9033 H 1 UNL11111111 0.1508 40 H 2.3530 4.0633 -0.7941 H 1 UNL11111111 0.1503 41 H -4.7224 1.7202 1.3242 H 1 UNL11111111 0.1820 42 H -5.1925 -1.4056 -1.6313 H 1 UNL11111111 0.1838 @BOND 1 42 25 1 2 37 22 1 3 6 8 2 4 32 17 1 5 25 22 ar 6 25 26 ar 7 35 19 1 8 22 20 ar 9 40 23 1 10 4 15 2 11 19 15 1 12 19 18 2 13 33 17 1 14 15 11 1 15 2 18 1 16 2 23 1 17 38 23 1 18 8 26 1 19 8 5 2 20 18 14 1 21 29 16 1 22 26 24 ar 23 23 39 1 24 17 7 1 25 17 34 1 26 11 7 ar 27 11 10 ar 28 7 12 ar 29 20 1 1 30 20 21 ar 31 1 13 1 32 14 10 1 33 14 3 2 34 10 9 ar 35 12 9 ar 36 12 16 1 37 9 13 1 38 16 31 1 39 16 30 1 40 24 21 ar 41 24 41 1 42 28 13 1 43 21 36 1 44 13 27 1