@MOLECULE 2-(diethylamino)-1-phenylethanone 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.3574 0.4044 -1.0904 C.3 1 UNL111111111 -0.3768 2 C -0.1957 1.2501 -0.5653 C.2 1 UNL111111111 0.2383 3 O -0.2757 2.4534 -0.5923 O.2 1 UNL111111111 -0.3271 4 C 1.0407 0.5617 -0.1216 C.ar 1 UNL111111111 -0.0635 5 C 2.2238 0.8047 -0.8201 C.ar 1 UNL111111111 -0.2115 6 C 3.3980 0.1647 -0.4302 C.ar 1 UNL111111111 -0.2381 7 C 3.3901 -0.7018 0.6629 C.ar 1 UNL111111111 -0.1209 8 C 2.2098 -0.9277 1.3686 C.ar 1 UNL111111111 -0.2385 9 C 1.0311 -0.2962 0.9765 C.ar 1 UNL111111111 -0.0630 10 N -1.7913 -0.5190 -0.0243 N.3 1 UNL111111111 -0.1161 11 C -2.9672 0.0095 0.7167 C.3 1 UNL111111111 -0.2371 12 C -2.5785 1.2687 1.4971 C.3 1 UNL111111111 -0.6079 13 C -2.0631 -1.8828 -0.5467 C.3 1 UNL111111111 -0.3508 14 C -0.7461 -2.5740 -0.9190 C.3 1 UNL111111111 -0.5865 15 H -2.1711 1.0784 -1.4423 H 1 UNL111111111 0.1801 16 H -1.0012 -0.1432 -1.9908 H 1 UNL111111111 0.2337 17 H 2.2300 1.4980 -1.6607 H 1 UNL111111111 0.1996 18 H 4.3218 0.3458 -0.9742 H 1 UNL111111111 0.1845 19 H 4.3086 -1.1994 0.9672 H 1 UNL111111111 0.1837 20 H 2.2056 -1.5972 2.2257 H 1 UNL111111111 0.2123 21 H 0.0980 -0.4771 1.5177 H 1 UNL111111111 0.1910 22 H -3.8308 0.2213 0.0506 H 1 UNL111111111 0.1441 23 H -3.2956 -0.7763 1.4340 H 1 UNL111111111 0.1890 24 H -1.6587 1.1090 2.0746 H 1 UNL111111111 0.2027 25 H -2.3954 2.1245 0.8344 H 1 UNL111111111 0.2046 26 H -3.3678 1.5545 2.1998 H 1 UNL111111111 0.1952 27 H -2.5601 -2.4686 0.2599 H 1 UNL111111111 0.2230 28 H -2.7570 -1.8786 -1.4135 H 1 UNL111111111 0.1608 29 H -0.2807 -2.1337 -1.8064 H 1 UNL111111111 0.1941 30 H -0.0161 -2.4871 -0.1012 H 1 UNL111111111 0.1975 31 H -0.9039 -3.6387 -1.1168 H 1 UNL111111111 0.2035 @BOND 1 16 1 1 2 29 14 1 3 17 5 1 4 15 1 1 5 28 13 1 6 31 14 1 7 1 2 1 8 1 10 1 9 18 6 1 10 14 13 1 11 14 30 1 12 5 6 ar 13 5 4 ar 14 3 2 2 15 2 4 1 16 13 10 1 17 13 27 1 18 6 7 ar 19 4 9 ar 20 10 11 1 21 22 11 1 22 7 19 1 23 7 8 ar 24 11 23 1 25 11 12 1 26 25 12 1 27 9 8 ar 28 9 21 1 29 8 20 1 30 12 24 1 31 12 26 1