@MOLECULE 4-diethylaminobenzaldehyde 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 O -4.4785 0.5594 0.2085 O.2 1 UNL11111111 -0.4695 2 N 1.8830 0.0568 0.0210 N.pl3 1 UNL11111111 -0.4495 3 C 2.5642 1.2695 0.4874 C.3 1 UNL11111111 -0.0435 4 C 2.7568 -1.0277 -0.4388 C.3 1 UNL11111111 -0.0445 5 C 0.5145 -0.0432 -0.0125 C.ar 1 UNL11111111 0.3273 6 C 2.7372 2.2857 -0.6476 C.3 1 UNL11111111 -0.4709 7 C 3.0430 -2.0256 0.6899 C.3 1 UNL11111111 -0.4700 8 C -0.1141 -1.2619 -0.3849 C.ar 1 UNL11111111 -0.3520 9 C -0.3050 1.0642 0.3279 C.ar 1 UNL11111111 -0.3594 10 C -1.4929 -1.3533 -0.4159 C.ar 1 UNL11111111 -0.0030 11 C -1.6823 0.9458 0.2967 C.ar 1 UNL11111111 0.0314 12 C -2.2928 -0.2575 -0.0748 C.ar 1 UNL11111111 -0.3002 13 C -3.7534 -0.3601 -0.1000 C.2 1 UNL11111111 0.3647 14 H 1.9962 1.7218 1.3341 H 1 UNL11111111 0.1470 15 H 3.5569 0.9888 0.9096 H 1 UNL11111111 0.1390 16 H 2.2951 -1.5458 -1.3116 H 1 UNL11111111 0.1439 17 H 3.7099 -0.5930 -0.8200 H 1 UNL11111111 0.1401 18 H 3.3599 1.8865 -1.4556 H 1 UNL11111111 0.1510 19 H 1.7704 2.5555 -1.0937 H 1 UNL11111111 0.1639 20 H 3.2061 3.2066 -0.2852 H 1 UNL11111111 0.1522 21 H 3.5717 -1.5497 1.5234 H 1 UNL11111111 0.1529 22 H 2.1139 -2.4431 1.1000 H 1 UNL11111111 0.1619 23 H 3.6565 -2.8597 0.3341 H 1 UNL11111111 0.1514 24 H 0.4814 -2.1312 -0.6392 H 1 UNL11111111 0.1607 25 H 0.1388 2.0133 0.6070 H 1 UNL11111111 0.1638 26 H -1.9608 -2.2962 -0.7065 H 1 UNL11111111 0.1436 27 H -2.3148 1.8008 0.5619 H 1 UNL11111111 0.1673 28 H -4.1934 -1.3176 -0.4128 H 1 UNL11111111 0.1004 @BOND 1 18 6 1 2 16 4 1 3 19 6 1 4 17 4 1 5 26 10 1 6 6 20 1 7 6 3 1 8 24 8 1 9 4 2 1 10 4 7 1 11 10 8 ar 12 10 12 ar 13 28 13 1 14 8 5 ar 15 13 12 1 16 13 1 2 17 12 11 ar 18 5 2 1 19 5 9 ar 20 2 3 1 21 11 9 ar 22 11 27 1 23 9 25 1 24 23 7 1 25 3 15 1 26 3 14 1 27 7 22 1 28 7 21 1