@MOLECULE 2-toluoyl dimethylaminoethanol 32 32 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8591 0.6342 1.4986 O.3 1 UNL1111 -0.5649 2 O -0.5567 0.8857 -1.9375 O.2 1 UNL1111 -0.4248 3 N -2.0337 -0.9320 0.2322 N.3 1 UNL1111 -0.4601 4 C -1.4606 0.4295 0.2425 C.3 1 UNL1111 0.3596 5 C -0.3341 0.4622 -0.8347 C.2 1 UNL1111 0.4274 6 C -2.4106 1.6117 0.0692 C.3 1 UNL1111 -0.4894 7 C 0.9860 -0.0500 -0.4064 C.ar 1 UNL1111 -0.1849 8 C 1.9507 0.8236 0.1058 C.ar 1 UNL1111 0.0946 9 C -2.7045 -1.2664 -1.0403 C.3 1 UNL1111 -0.2699 10 C -2.9412 -1.1674 1.3744 C.3 1 UNL1111 -0.2641 11 C 1.2453 -1.4144 -0.5225 C.ar 1 UNL1111 -0.0913 12 C 3.1887 0.3085 0.4994 C.ar 1 UNL1111 -0.1995 13 C 1.6507 2.2752 0.2415 C.3 1 UNL1111 -0.4708 14 C 2.4836 -1.9172 -0.1314 C.ar 1 UNL1111 -0.1820 15 C 3.4523 -1.0536 0.3789 C.ar 1 UNL1111 -0.1105 16 H -1.8942 2.5582 0.2821 H 1 UNL1111 0.1706 17 H -3.2590 1.5490 0.7596 H 1 UNL1111 0.1616 18 H -2.7909 1.6667 -0.9590 H 1 UNL1111 0.1714 19 H -3.5985 -0.6598 -1.2520 H 1 UNL1111 0.1278 20 H -3.0012 -2.3288 -1.0146 H 1 UNL1111 0.1485 21 H -2.0008 -1.1454 -1.8824 H 1 UNL1111 0.1577 22 H -3.9253 -0.6853 1.2748 H 1 UNL1111 0.1221 23 H -2.4804 -0.8065 2.3102 H 1 UNL1111 0.1583 24 H -3.0904 -2.2556 1.4770 H 1 UNL1111 0.1456 25 H -0.2810 -0.1245 1.7472 H 1 UNL1111 0.3392 26 H 0.4754 -2.0839 -0.9098 H 1 UNL1111 0.1630 27 H 3.9495 0.9745 0.8998 H 1 UNL1111 0.1550 28 H 1.4286 2.7296 -0.7377 H 1 UNL1111 0.1725 29 H 0.7656 2.4361 0.8831 H 1 UNL1111 0.1794 30 H 2.4756 2.8472 0.6840 H 1 UNL1111 0.1581 31 H 2.6931 -2.9800 -0.2241 H 1 UNL1111 0.1536 32 H 4.4207 -1.4465 0.6847 H 1 UNL1111 0.1461 @BOND 1 1 4 1 2 1 25 1 3 2 5 2 4 3 4 1 5 3 9 1 6 3 10 1 7 4 5 1 8 4 6 1 9 5 7 1 10 6 16 1 11 6 17 1 12 6 18 1 13 7 8 ar 14 7 11 ar 15 8 12 ar 16 8 13 1 17 9 19 1 18 9 20 1 19 9 21 1 20 10 22 1 21 10 23 1 22 10 24 1 23 11 14 ar 24 11 26 1 25 12 15 ar 26 12 27 1 27 13 28 1 28 13 29 1 29 13 30 1 30 14 15 ar 31 14 31 1 32 15 32 1