@MOLECULE 4-ethoxy ethylbenzoate 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3920 0.2193 -0.0038 O.3 1 UNL1111111111 -0.3365 2 O 2.8191 -0.4915 -0.0048 O.3 1 UNL1111111111 -0.4382 3 O 2.7528 1.7492 0.0106 O.2 1 UNL1111111111 -0.5224 4 C 0.7079 0.4974 0.0023 C.ar 1 UNL1111111111 -0.2343 5 C -2.0425 0.2095 -0.0027 C.ar 1 UNL1111111111 0.3078 6 C -0.1108 1.6377 -0.0049 C.ar 1 UNL1111111111 -0.0031 7 C 0.1438 -0.7787 0.0063 C.ar 1 UNL1111111111 0.0072 8 C -1.4874 1.5040 -0.0078 C.ar 1 UNL1111111111 -0.2864 9 C -1.2393 -0.9348 0.0038 C.ar 1 UNL1111111111 -0.3435 10 C -4.0738 -1.0432 0.0029 C.3 1 UNL1111111111 -0.0230 11 C 2.1606 0.6966 0.0038 C.2 1 UNL1111111111 0.6183 12 C 4.2529 -0.4145 -0.0035 C.3 1 UNL1111111111 0.0119 13 C -5.5419 -0.6448 0.0012 C.3 1 UNL1111111111 -0.4582 14 C 4.6996 -1.8677 -0.0036 C.3 1 UNL1111111111 -0.4633 15 H 0.3525 2.6304 -0.0081 H 1 UNL1111111111 0.1753 16 H 0.7890 -1.6620 0.0114 H 1 UNL1111111111 0.1668 17 H -2.1447 2.3697 -0.0132 H 1 UNL1111111111 0.1784 18 H -1.6685 -1.9295 0.0070 H 1 UNL1111111111 0.1657 19 H -3.7906 -1.6108 -0.9006 H 1 UNL1111111111 0.1290 20 H -3.7906 -1.6013 0.9123 H 1 UNL1111111111 0.1289 21 H 4.5734 0.1367 -0.9051 H 1 UNL1111111111 0.1343 22 H 4.5743 0.1368 0.8977 H 1 UNL1111111111 0.1345 23 H -6.1925 -1.5251 0.0432 H 1 UNL1111111111 0.1555 24 H -5.7815 -0.0039 0.8613 H 1 UNL1111111111 0.1639 25 H -5.7996 -0.0736 -0.9012 H 1 UNL1111111111 0.1627 26 H 5.7923 -1.9450 -0.0019 H 1 UNL1111111111 0.1523 27 H 4.3200 -2.4010 0.8778 H 1 UNL1111111111 0.1582 28 H 4.3230 -2.3999 -0.8870 H 1 UNL1111111111 0.1582 @BOND 1 1 5 1 2 1 10 1 3 2 11 1 4 2 12 1 5 3 11 2 6 4 6 ar 7 4 7 ar 8 4 11 1 9 5 8 ar 10 5 9 ar 11 6 8 ar 12 6 15 1 13 7 9 ar 14 7 16 1 15 8 17 1 16 9 18 1 17 10 13 1 18 10 19 1 19 10 20 1 20 12 14 1 21 12 21 1 22 12 22 1 23 13 23 1 24 13 24 1 25 13 25 1 26 14 26 1 27 14 27 1 28 14 28 1