@MOLECULE 1-(1h-indol-3-yl)-4-phenyl-2,3-butanedione 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.6519 -1.6487 1.0683 C.ar 1 UNL11111111111 -0.2162 2 C -3.5712 -2.4577 -0.0485 C.ar 1 UNL11111111111 -0.1098 3 C -2.9273 -2.0256 -1.2294 C.ar 1 UNL11111111111 -0.1867 4 C -2.3507 -0.7733 -1.3191 C.ar 1 UNL11111111111 -0.1099 5 C -2.4074 0.0735 -0.2061 C.ar 1 UNL11111111111 -0.0855 6 C -3.0642 -0.3789 0.9816 C.ar 1 UNL11111111111 0.1032 7 N -2.9745 0.6360 1.9352 N.ar 1 UNL11111111111 -0.3739 8 C -2.2847 1.7111 1.3715 C.ar 1 UNL11111111111 -0.0284 9 C -1.9194 1.3986 0.0703 C.ar 1 UNL11111111111 -0.1232 10 C -1.1604 2.2551 -0.8592 C.3 1 UNL11111111111 -0.3496 11 C 0.3117 1.9305 -0.7816 C.2 1 UNL11111111111 0.3847 12 O 1.1519 2.7311 -0.4785 O.2 1 UNL11111111111 -0.3892 13 C 0.6707 0.4882 -1.1202 C.2 1 UNL11111111111 0.4043 14 O 0.7431 0.1337 -2.2659 O.2 1 UNL11111111111 -0.4110 15 C 0.8874 -0.4290 0.0528 C.3 1 UNL11111111111 -0.3924 16 C 2.3570 -0.5714 0.2994 C.ar 1 UNL11111111111 0.0197 17 C 2.9261 -0.0824 1.4756 C.ar 1 UNL11111111111 -0.1605 18 C 4.2957 -0.2240 1.6931 C.ar 1 UNL11111111111 -0.1400 19 C 5.0952 -0.8521 0.7403 C.ar 1 UNL11111111111 -0.1536 20 C 4.5250 -1.3386 -0.4360 C.ar 1 UNL11111111111 -0.1405 21 C 3.1583 -1.1993 -0.6581 C.ar 1 UNL11111111111 -0.1599 22 H -4.1470 -1.9761 1.9751 H 1 UNL11111111111 0.1565 23 H -4.0119 -3.4541 -0.0285 H 1 UNL11111111111 0.1511 24 H -2.8908 -2.7024 -2.0813 H 1 UNL11111111111 0.1556 25 H -1.8546 -0.4442 -2.2322 H 1 UNL11111111111 0.1664 26 H -3.3662 0.6089 2.8468 H 1 UNL11111111111 0.3140 27 H -2.1028 2.6103 1.9317 H 1 UNL11111111111 0.1709 28 H -1.3221 3.3354 -0.6401 H 1 UNL11111111111 0.1828 29 H -1.5131 2.1179 -1.9091 H 1 UNL11111111111 0.1880 30 H 0.3472 -0.0656 0.9523 H 1 UNL11111111111 0.1772 31 H 0.4340 -1.4256 -0.1635 H 1 UNL11111111111 0.1923 32 H 2.3086 0.4158 2.2196 H 1 UNL11111111111 0.1519 33 H 4.7408 0.1610 2.6084 H 1 UNL11111111111 0.1475 34 H 6.1640 -0.9596 0.9116 H 1 UNL11111111111 0.1484 35 H 5.1497 -1.8245 -1.1830 H 1 UNL11111111111 0.1496 36 H 2.7111 -1.5664 -1.5827 H 1 UNL11111111111 0.1662 @BOND 1 1 2 ar 2 1 6 ar 3 1 22 1 4 2 3 ar 5 2 23 1 6 3 4 ar 7 3 24 1 8 4 5 ar 9 4 25 1 10 5 6 ar 11 5 9 ar 12 6 7 ar 13 7 8 ar 14 7 26 1 15 8 9 ar 16 8 27 1 17 9 10 1 18 10 11 1 19 10 28 1 20 10 29 1 21 11 12 2 22 11 13 1 23 13 14 2 24 13 15 1 25 15 16 1 26 15 30 1 27 15 31 1 28 16 17 ar 29 16 21 ar 30 17 18 ar 31 17 32 1 32 18 19 ar 33 18 33 1 34 19 20 ar 35 19 34 1 36 20 21 ar 37 20 35 1 38 21 36 1