@MOLECULE 1,3-bis(4-methylphenoxy)acetone 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3015 -0.7905 0.4895 O.3 1 UNL111111111 -0.2829 2 O 2.3043 -0.8170 -0.4661 O.3 1 UNL111111111 -0.2807 3 O -0.0151 -1.9774 -0.0029 O.2 1 UNL111111111 -0.3266 4 C -3.5400 -0.2394 0.3183 C.ar 1 UNL111111111 0.2114 5 C 3.5445 -0.2556 -0.3214 C.ar 1 UNL111111111 0.2114 6 C -1.2106 0.0978 0.3039 C.3 1 UNL111111111 -0.1811 7 C 1.2137 0.0790 -0.2983 C.3 1 UNL111111111 -0.1823 8 C -6.1302 0.6189 -0.1236 C.ar 1 UNL111111111 -0.0177 9 C 6.1276 0.6298 0.1326 C.ar 1 UNL111111111 -0.0181 10 C -0.0050 -0.7838 0.0026 C.2 1 UNL111111111 0.4182 11 C -3.8275 1.1181 0.4324 C.ar 1 UNL111111111 -0.2780 12 C 3.8232 1.1036 -0.4436 C.ar 1 UNL111111111 -0.2786 13 C -4.5329 -1.1911 0.0448 C.ar 1 UNL111111111 -0.2184 14 C 4.5495 -1.1956 -0.0524 C.ar 1 UNL111111111 -0.2193 15 C -5.1338 1.5406 0.1970 C.ar 1 UNL111111111 -0.1259 16 C 5.1255 1.5397 -0.2038 C.ar 1 UNL111111111 -0.1256 17 C -5.8298 -0.7486 -0.1737 C.ar 1 UNL111111111 -0.1231 18 C 5.8399 -0.7407 0.1766 C.ar 1 UNL111111111 -0.1228 19 C -7.5075 1.0994 -0.4330 C.3 1 UNL111111111 -0.4453 20 C 7.5064 1.1154 0.4243 C.3 1 UNL111111111 -0.4455 21 H -1.4003 0.7954 -0.5344 H 1 UNL111111111 0.1529 22 H -1.0652 0.6712 1.2392 H 1 UNL111111111 0.1538 23 H 1.4047 0.7854 0.5325 H 1 UNL111111111 0.1532 24 H 1.0737 0.6400 -1.2418 H 1 UNL111111111 0.1535 25 H -3.0660 1.8417 0.7003 H 1 UNL111111111 0.1574 26 H 3.0574 1.8204 -0.7193 H 1 UNL111111111 0.1573 27 H -4.2710 -2.2464 -0.0014 H 1 UNL111111111 0.1777 28 H 4.3014 -2.2541 -0.0078 H 1 UNL111111111 0.1772 29 H -5.3741 2.6005 0.2602 H 1 UNL111111111 0.1496 30 H 5.3560 2.6017 -0.2742 H 1 UNL111111111 0.1496 31 H -6.6148 -1.4694 -0.3979 H 1 UNL111111111 0.1561 32 H 6.6299 -1.4548 0.4075 H 1 UNL111111111 0.1561 33 H -8.2758 0.3647 -0.1578 H 1 UNL111111111 0.1558 34 H -7.7554 2.0332 0.0905 H 1 UNL111111111 0.1534 35 H -7.6168 1.2972 -1.5107 H 1 UNL111111111 0.1589 36 H 8.0330 0.4717 1.1419 H 1 UNL111111111 0.1557 37 H 8.1111 1.1433 -0.4941 H 1 UNL111111111 0.1597 38 H 7.5106 2.1301 0.8462 H 1 UNL111111111 0.1531 @BOND 1 1 4 1 2 1 6 1 3 2 5 1 4 2 7 1 5 3 10 2 6 4 11 ar 7 4 13 ar 8 5 12 ar 9 5 14 ar 10 6 10 1 11 6 21 1 12 6 22 1 13 7 10 1 14 7 23 1 15 7 24 1 16 8 15 ar 17 8 17 ar 18 8 19 1 19 9 16 ar 20 9 18 ar 21 9 20 1 22 11 15 ar 23 11 25 1 24 12 16 ar 25 12 26 1 26 13 17 ar 27 13 27 1 28 14 18 ar 29 14 28 1 30 15 29 1 31 16 30 1 32 17 31 1 33 18 32 1 34 19 33 1 35 19 34 1 36 19 35 1 37 20 36 1 38 20 37 1 39 20 38 1