@MOLECULE (e)-n-(3,3-dimethyl-2-butanyl)-n'-(2-ethoxyphenyl)-2-nitro-1,1-ethenediamine 47 47 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.7634 1.4717 -0.9212 O.3 1 UNL11111111 -0.3767 2 O 1.0285 -4.1067 -1.1017 O.2 1 UNL11111111 -0.4236 3 O 2.4494 -2.6845 -0.3339 O.2 1 UNL11111111 -0.5674 4 N 1.7345 -0.1648 -0.1122 N.pl3 1 UNL11111111 -0.5102 5 N -0.5980 0.1761 -0.0922 N.pl3 1 UNL11111111 -0.5260 6 N 1.3042 -2.9747 -0.7299 N.pl3 1 UNL11111111 0.7242 7 C 3.5422 1.4887 0.2055 C.3 1 UNL11111111 0.0984 8 C 2.0201 1.1775 0.4214 C.3 1 UNL11111111 0.0874 9 C 3.7975 2.9593 0.5728 C.3 1 UNL11111111 -0.4668 10 C 4.4289 0.5855 1.0666 C.3 1 UNL11111111 -0.4667 11 C 3.8926 1.3008 -1.2803 C.3 1 UNL11111111 -0.4662 12 C 1.5940 1.2574 1.8939 C.3 1 UNL11111111 -0.4832 13 C 0.4931 -0.6775 -0.3111 C.2 1 UNL11111111 0.5235 14 C 0.3098 -1.9977 -0.7298 C.2 1 UNL11111111 -0.5579 15 C -1.8684 -0.3389 0.2460 C.ar 1 UNL11111111 0.1242 16 C -3.0168 0.4103 -0.1032 C.ar 1 UNL11111111 0.1463 17 C -2.0216 -1.5051 1.0013 C.ar 1 UNL11111111 -0.1724 18 C -4.2831 0.0103 0.3052 C.ar 1 UNL11111111 -0.2205 19 C -3.2963 -1.9197 1.3772 C.ar 1 UNL11111111 -0.1431 20 C -4.4174 -1.1652 1.0461 C.ar 1 UNL11111111 -0.1367 21 C -3.5098 2.6673 -0.6516 C.3 1 UNL11111111 -0.0106 22 C -2.6540 3.7578 -1.2794 C.3 1 UNL11111111 -0.4591 23 H 1.4336 1.9295 -0.1686 H 1 UNL11111111 0.1295 24 H 3.1587 3.6380 -0.0007 H 1 UNL11111111 0.1440 25 H 3.6317 3.1565 1.6363 H 1 UNL11111111 0.1467 26 H 4.8367 3.2368 0.3560 H 1 UNL11111111 0.1522 27 H 4.3019 -0.4779 0.8290 H 1 UNL11111111 0.1581 28 H 4.2268 0.7089 2.1356 H 1 UNL11111111 0.1495 29 H 5.4907 0.8132 0.9107 H 1 UNL11111111 0.1531 30 H 3.2394 1.8968 -1.9239 H 1 UNL11111111 0.1460 31 H 4.9247 1.6070 -1.4821 H 1 UNL11111111 0.1507 32 H 3.8053 0.2569 -1.6037 H 1 UNL11111111 0.1607 33 H 1.8703 2.2187 2.3398 H 1 UNL11111111 0.1534 34 H 2.0606 0.4694 2.4968 H 1 UNL11111111 0.1644 35 H 0.5080 1.1390 2.0044 H 1 UNL11111111 0.1638 36 H 2.5163 -0.8504 -0.1230 H 1 UNL11111111 0.3698 37 H -0.5916 1.1012 -0.5226 H 1 UNL11111111 0.3324 38 H -0.6614 -2.3244 -1.1048 H 1 UNL11111111 0.2203 39 H -1.1511 -2.0991 1.2904 H 1 UNL11111111 0.1857 40 H -5.1616 0.5876 0.0312 H 1 UNL11111111 0.1610 41 H -3.4073 -2.8471 1.9381 H 1 UNL11111111 0.1600 42 H -5.4057 -1.4977 1.3575 H 1 UNL11111111 0.1528 43 H -3.6428 2.8039 0.4324 H 1 UNL11111111 0.1262 44 H -4.4906 2.5675 -1.1467 H 1 UNL11111111 0.1287 45 H -2.4632 3.5540 -2.3431 H 1 UNL11111111 0.1651 46 H -1.6794 3.8417 -0.7836 H 1 UNL11111111 0.1539 47 H -3.1504 4.7311 -1.2120 H 1 UNL11111111 0.1553 @BOND 1 45 22 1 2 30 11 1 3 32 11 1 4 31 11 1 5 22 47 1 6 22 46 1 7 22 21 1 8 11 7 1 9 2 6 2 10 44 21 1 11 38 14 1 12 1 21 1 13 1 16 1 14 14 6 1 15 14 13 2 16 6 3 2 17 21 43 1 18 37 5 1 19 13 4 1 20 13 5 1 21 23 8 1 22 36 4 1 23 4 8 1 24 16 15 ar 25 16 18 ar 26 5 15 1 27 24 9 1 28 40 18 1 29 7 8 1 30 7 9 1 31 7 10 1 32 15 17 ar 33 18 20 ar 34 26 9 1 35 8 12 1 36 9 25 1 37 27 10 1 38 29 10 1 39 17 39 1 40 17 19 ar 41 20 42 1 42 20 19 ar 43 10 28 1 44 19 41 1 45 12 35 1 46 12 33 1 47 12 34 1