@MOLECULE n-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}propyl)-4-nitrobenzamide 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6211 1.9827 -1.2635 O.3 1 UNL1111111111 -0.3033 2 O -1.8986 3.5271 0.2291 O.3 1 UNL1111111111 -0.3196 3 O -0.1817 0.6183 -0.8835 O.2 1 UNL1111111111 -0.5015 4 O 6.9062 0.2821 -0.4241 O.2 1 UNL1111111111 -0.3946 5 O 6.3427 0.4771 1.6450 O.2 1 UNL1111111111 -0.3923 6 N -2.6368 -3.3339 0.6338 N.3 1 UNL1111111111 -0.5644 7 N 0.1664 -1.5518 -1.4115 N.am 1 UNL1111111111 -0.5964 8 N 6.0735 0.3081 0.4677 N.pl3 1 UNL1111111111 0.6153 9 C -1.5095 -3.8509 -0.1713 C.3 1 UNL1111111111 -0.0953 10 C -2.2145 -2.5323 1.8012 C.3 1 UNL1111111111 -0.0932 11 C -1.6169 -3.2632 -1.5961 C.3 1 UNL1111111111 -0.3018 12 C -3.3619 -1.5632 2.1789 C.3 1 UNL1111111111 -0.2889 13 C -1.2707 -1.7710 -1.6427 C.3 1 UNL1111111111 -0.0607 14 C -3.0313 -0.1956 1.6631 C.ar 1 UNL1111111111 0.0331 15 C -3.5518 0.2197 0.4322 C.ar 1 UNL1111111111 -0.2783 16 C -2.1687 0.6303 2.3792 C.ar 1 UNL1111111111 -0.2115 17 C -3.1824 1.4534 -0.0864 C.ar 1 UNL1111111111 0.1639 18 C -1.7852 1.8656 1.8562 C.ar 1 UNL1111111111 -0.1688 19 C -2.2792 2.2775 0.6220 C.ar 1 UNL1111111111 0.1503 20 C 0.5859 -0.3180 -0.9696 C.2 1 UNL1111111111 0.5551 21 C 2.0310 -0.1977 -0.6080 C.ar 1 UNL1111111111 -0.0700 22 C 2.3428 0.3352 0.6430 C.ar 1 UNL1111111111 -0.1158 23 C 3.0314 -0.5595 -1.5089 C.ar 1 UNL1111111111 -0.1516 24 C 3.6765 0.4963 1.0084 C.ar 1 UNL1111111111 -0.0977 25 C 4.3681 -0.4004 -1.1555 C.ar 1 UNL1111111111 -0.0973 26 C 4.6736 0.1270 0.1014 C.ar 1 UNL1111111111 -0.0600 27 C -4.5045 1.1834 -2.0377 C.3 1 UNL1111111111 -0.2071 28 C -1.5579 3.6414 -1.1514 C.3 1 UNL1111111111 -0.1973 29 H -0.5253 -3.5907 0.2702 H 1 UNL1111111111 0.1274 30 H -1.5409 -4.9621 -0.2276 H 1 UNL1111111111 0.1170 31 H -1.9436 -3.1601 2.6752 H 1 UNL1111111111 0.1056 32 H -1.3066 -1.9432 1.5379 H 1 UNL1111111111 0.1514 33 H -2.6578 -3.3916 -1.9589 H 1 UNL1111111111 0.1621 34 H -0.9768 -3.8385 -2.2875 H 1 UNL1111111111 0.1338 35 H -4.3221 -1.9265 1.7591 H 1 UNL1111111111 0.1601 36 H -3.5084 -1.5512 3.2748 H 1 UNL1111111111 0.1457 37 H -3.2742 -4.0743 0.9062 H 1 UNL1111111111 0.2568 38 H -1.8647 -1.2126 -0.8700 H 1 UNL1111111111 0.1867 39 H -1.5461 -1.3324 -2.6287 H 1 UNL1111111111 0.1391 40 H -4.2269 -0.4386 -0.1065 H 1 UNL1111111111 0.1668 41 H -1.7802 0.3134 3.3416 H 1 UNL1111111111 0.1524 42 H 0.7762 -2.3466 -1.4522 H 1 UNL1111111111 0.3086 43 H -1.0975 2.5133 2.3960 H 1 UNL1111111111 0.1665 44 H 1.5395 0.6412 1.3213 H 1 UNL1111111111 0.1869 45 H 2.7724 -0.9483 -2.4945 H 1 UNL1111111111 0.1675 46 H 3.9426 0.9106 1.9859 H 1 UNL1111111111 0.1878 47 H 5.1686 -0.6745 -1.8506 H 1 UNL1111111111 0.1865 48 H -5.4454 1.0151 -1.5055 H 1 UNL1111111111 0.1341 49 H -4.0357 0.2380 -2.3248 H 1 UNL1111111111 0.1308 50 H -4.6681 1.8154 -2.9205 H 1 UNL1111111111 0.1487 51 H -2.4628 3.8832 -1.7193 H 1 UNL1111111111 0.1352 52 H -0.8491 4.4768 -1.1596 H 1 UNL1111111111 0.1378 53 H -1.0854 2.7312 -1.5380 H 1 UNL1111111111 0.1542 @BOND 1 1 17 1 2 1 27 1 3 2 19 1 4 2 28 1 5 3 20 2 6 4 8 2 7 5 8 2 8 6 9 1 9 6 10 1 10 6 37 1 11 7 13 1 12 7 20 am 13 7 42 1 14 8 26 1 15 9 11 1 16 9 29 1 17 9 30 1 18 10 12 1 19 10 31 1 20 10 32 1 21 11 13 1 22 11 33 1 23 11 34 1 24 12 14 1 25 12 35 1 26 12 36 1 27 13 38 1 28 13 39 1 29 14 15 ar 30 14 16 ar 31 15 17 ar 32 15 40 1 33 16 18 ar 34 16 41 1 35 17 19 ar 36 18 19 ar 37 18 43 1 38 20 21 1 39 21 22 ar 40 21 23 ar 41 22 24 ar 42 22 44 1 43 23 25 ar 44 23 45 1 45 24 26 ar 46 24 46 1 47 25 26 ar 48 25 47 1 49 27 48 1 50 27 49 1 51 27 50 1 52 28 51 1 53 28 52 1 54 28 53 1