@MOLECULE (4-tert-butylphenyl)acetaldehyde 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.7520 0.0034 -0.6118 C.2 1 UNL1111111111 0.1902 2 O -4.9361 -0.2205 -0.6321 O.2 1 UNL1111111111 -0.3245 3 C -3.0101 0.1618 0.6943 C.3 1 UNL1111111111 -0.4376 4 C -1.5332 0.1020 0.4855 C.ar 1 UNL1111111111 0.0999 5 C -0.7972 1.2734 0.2965 C.ar 1 UNL1111111111 -0.2915 6 C 0.5759 1.2079 0.0893 C.ar 1 UNL1111111111 -0.3152 7 C 1.2425 -0.0238 0.0644 C.ar 1 UNL1111111111 0.1794 8 C 0.4984 -1.1888 0.2542 C.ar 1 UNL1111111111 -0.4012 9 C -0.8777 -1.1283 0.4642 C.ar 1 UNL1111111111 -0.1871 10 C 2.7415 -0.0436 -0.1608 C.3 1 UNL1111111111 0.6544 11 C 3.4202 0.7378 0.9796 C.3 1 UNL1111111111 -1.0672 12 C 3.3235 -1.4669 -0.1832 C.3 1 UNL1111111111 -0.9443 13 C 3.0508 0.6211 -1.5152 C.3 1 UNL1111111111 -0.9612 14 H -3.1752 0.1047 -1.5389 H 1 UNL1111111111 0.1462 15 H -3.3205 1.1180 1.1717 H 1 UNL1111111111 0.1995 16 H -3.3503 -0.6141 1.4164 H 1 UNL1111111111 0.1850 17 H -1.2948 2.2410 0.3128 H 1 UNL1111111111 0.2320 18 H 1.1368 2.1304 -0.0538 H 1 UNL1111111111 0.2094 19 H 0.9812 -2.1645 0.2431 H 1 UNL1111111111 0.2300 20 H -1.4389 -2.0493 0.6129 H 1 UNL1111111111 0.2086 21 H 3.1623 0.3112 1.9555 H 1 UNL1111111111 0.2782 22 H 4.5105 0.7128 0.8823 H 1 UNL1111111111 0.2989 23 H 3.1165 1.7892 0.9910 H 1 UNL1111111111 0.2720 24 H 2.8854 -2.0684 -0.9869 H 1 UNL1111111111 0.2438 25 H 4.4065 -1.4439 -0.3510 H 1 UNL1111111111 0.2649 26 H 3.1559 -1.9868 0.7661 H 1 UNL1111111111 0.2577 27 H 2.7399 1.6702 -1.5361 H 1 UNL1111111111 0.2662 28 H 4.1236 0.5938 -1.7333 H 1 UNL1111111111 0.2652 29 H 2.5313 0.1074 -2.3319 H 1 UNL1111111111 0.2486 @BOND 1 1 2 2 2 1 3 1 3 1 14 1 4 3 4 1 5 3 15 1 6 3 16 1 7 4 5 ar 8 4 9 ar 9 5 6 ar 10 5 17 1 11 6 7 ar 12 6 18 1 13 7 8 ar 14 7 10 1 15 8 9 ar 16 8 19 1 17 9 20 1 18 10 11 1 19 10 12 1 20 10 13 1 21 11 21 1 22 11 22 1 23 11 23 1 24 12 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 13 28 1 29 13 29 1