@MOLECULE 2-{4-[2-(butylamino)-2-oxoethyl]phenyl}-n-(4-nitrophenyl)acetamide 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9218 0.1083 1.8446 O.2 1 UNL1111111111 -0.5120 2 O 1.3873 -1.9899 1.2123 O.2 1 UNL1111111111 -0.4583 3 O 7.3953 2.1009 -0.4901 O.2 1 UNL1111111111 -0.4147 4 O 6.8781 2.0419 1.5976 O.2 1 UNL1111111111 -0.4069 5 N -5.8190 1.0411 -0.0135 N.am 1 UNL1111111111 -0.6051 6 N 2.3455 -1.6342 -0.8318 N.am 1 UNL1111111111 -0.5818 7 N 6.6881 1.7256 0.4330 N.pl3 1 UNL1111111111 0.6390 8 C -4.8140 3.2883 0.4443 C.3 1 UNL1111111111 -0.3048 9 C -6.0126 2.3424 0.6353 C.3 1 UNL1111111111 -0.0643 10 C -4.5113 3.5657 -1.0327 C.3 1 UNL1111111111 -0.2463 11 C -5.0824 -1.2975 -0.1032 C.3 1 UNL1111111111 -0.3832 12 C -3.6481 -1.7041 -0.2255 C.ar 1 UNL1111111111 0.0263 13 C -1.0052 -2.5761 -0.4860 C.ar 1 UNL1111111111 -0.0009 14 C -5.2167 0.0029 0.6745 C.2 1 UNL1111111111 0.5933 15 C 0.3868 -3.1094 -0.6531 C.3 1 UNL1111111111 -0.3729 16 C -2.8532 -1.2337 -1.2731 C.ar 1 UNL1111111111 -0.1652 17 C -3.1029 -2.5830 0.7138 C.ar 1 UNL1111111111 -0.1411 18 C -1.5348 -1.6661 -1.4031 C.ar 1 UNL1111111111 -0.1546 19 C -1.7874 -3.0166 0.5850 C.ar 1 UNL1111111111 -0.1349 20 C -3.3576 4.5606 -1.1673 C.3 1 UNL1111111111 -0.4388 21 C 1.3835 -2.1950 0.0269 C.2 1 UNL1111111111 0.5990 22 C 3.4091 -0.8035 -0.4463 C.ar 1 UNL1111111111 0.2935 23 C 4.2606 -0.3616 -1.4847 C.ar 1 UNL1111111111 -0.2999 24 C 3.6573 -0.4090 0.8794 C.ar 1 UNL1111111111 -0.2553 25 C 5.5667 0.8590 0.1305 C.ar 1 UNL1111111111 -0.1536 26 C 5.3321 0.4663 -1.1928 C.ar 1 UNL1111111111 -0.0210 27 C 4.7317 0.4206 1.1655 C.ar 1 UNL1111111111 -0.0212 28 H -5.0279 4.2389 0.9697 H 1 UNL1111111111 0.1452 29 H -3.9202 2.8575 0.9404 H 1 UNL1111111111 0.1616 30 H -6.9408 2.8007 0.2263 H 1 UNL1111111111 0.1324 31 H -6.1874 2.1794 1.7271 H 1 UNL1111111111 0.1657 32 H -5.4119 3.9592 -1.5391 H 1 UNL1111111111 0.1293 33 H -4.2485 2.6262 -1.5534 H 1 UNL1111111111 0.1286 34 H -5.5676 -1.2449 -1.1001 H 1 UNL1111111111 0.1638 35 H -5.6662 -2.0712 0.4520 H 1 UNL1111111111 0.1870 36 H -5.9122 1.0205 -1.0121 H 1 UNL1111111111 0.3014 37 H 0.4754 -4.1129 -0.1706 H 1 UNL1111111111 0.1912 38 H 0.6202 -3.2812 -1.7225 H 1 UNL1111111111 0.1645 39 H -3.2593 -0.5242 -1.9913 H 1 UNL1111111111 0.1500 40 H -3.7055 -2.9220 1.5556 H 1 UNL1111111111 0.1652 41 H -0.9243 -1.2960 -2.2225 H 1 UNL1111111111 0.1480 42 H -1.3674 -3.7002 1.3222 H 1 UNL1111111111 0.1611 43 H -2.4477 4.1842 -0.6851 H 1 UNL1111111111 0.1495 44 H -3.1151 4.7515 -2.2219 H 1 UNL1111111111 0.1394 45 H -3.6024 5.5247 -0.7083 H 1 UNL1111111111 0.1440 46 H 2.2649 -1.8237 -1.8279 H 1 UNL1111111111 0.3131 47 H 4.0796 -0.6651 -2.5133 H 1 UNL1111111111 0.1640 48 H 3.0043 -0.7428 1.6941 H 1 UNL1111111111 0.2110 49 H 5.9951 0.8159 -1.9923 H 1 UNL1111111111 0.1821 50 H 4.9271 0.7363 2.1984 H 1 UNL1111111111 0.1879 @BOND 1 1 14 2 2 2 21 2 3 3 7 2 4 4 7 2 5 5 9 1 6 5 14 am 7 5 36 1 8 6 21 am 9 6 22 1 10 6 46 1 11 7 25 1 12 8 9 1 13 8 10 1 14 8 28 1 15 8 29 1 16 9 30 1 17 9 31 1 18 10 20 1 19 10 32 1 20 10 33 1 21 11 12 1 22 11 14 1 23 11 34 1 24 11 35 1 25 12 16 ar 26 12 17 ar 27 13 15 1 28 13 18 ar 29 13 19 ar 30 15 21 1 31 15 37 1 32 15 38 1 33 16 18 ar 34 16 39 1 35 17 19 ar 36 17 40 1 37 18 41 1 38 19 42 1 39 20 43 1 40 20 44 1 41 20 45 1 42 22 23 ar 43 22 24 ar 44 23 26 ar 45 23 47 1 46 24 27 ar 47 24 48 1 48 25 26 ar 49 25 27 ar 50 26 49 1 51 27 50 1