@MOLECULE tafamidis 27 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.6849 -0.2020 -0.0012 O.3 1 UNL1111 -0.5539 2 O -5.8613 1.8663 -0.0042 O.2 1 UNL1111 -0.4911 3 C -4.2731 -1.4078 0.0028 C.ar 1 UNL1111 -0.0928 4 C -3.0515 -2.0753 0.0042 C.ar 1 UNL1111 -0.1435 5 C 4.2927 0.3455 -0.0006 C.ar 1 UNL1111 -0.1600 6 C 2.4452 -1.2465 -0.0010 C.ar 1 UNL1111 -0.1217 7 C 1.9874 1.1434 0.0012 C.ar 1 UNL1111 -0.1359 8 C -3.2059 0.8068 -0.0012 C.ar 1 UNL1111 -0.1057 9 N -0.5316 -1.6157 0.0033 N.ar 1 UNL1111 -0.3872 10 O -0.7280 0.6564 -0.0008 O.2 1 UNL1111 -0.2337 11 C -5.6504 0.6806 -0.0020 C.2 1 UNL1111 0.6410 12 C 3.8036 -0.9561 -0.0014 C.ar 1 UNL1111 0.0185 13 C 3.3572 1.3749 0.0007 C.ar 1 UNL1111 0.0196 14 C -4.3461 -0.0040 0.0001 C.ar 1 UNL1111 -0.1257 15 C 1.5359 -0.1817 0.0004 C.ar 1 UNL1111 -0.0298 16 C 0.1171 -0.4696 0.0012 C.ar 1 UNL1111 0.3159 17 C -1.9018 -1.2925 0.0028 C.ar 1 UNL1111 0.0997 18 C -2.0033 0.1308 0.0002 C.ar 1 UNL1111 0.0641 19 CL 4.9151 -2.2478 -0.0028 Cl 1 UNL1111 -0.0472 20 CL 3.9138 2.9852 0.0017 Cl 1 UNL1111 -0.0449 21 H -7.5708 0.2405 -0.0025 H 1 UNL1111 0.3581 22 H -5.2020 -1.9885 0.0038 H 1 UNL1111 0.1844 23 H -2.9884 -3.1620 0.0062 H 1 UNL1111 0.1819 24 H 5.3660 0.5514 -0.0008 H 1 UNL1111 0.1922 25 H 2.0785 -2.2806 -0.0017 H 1 UNL1111 0.2044 26 H 1.2747 1.9740 0.0023 H 1 UNL1111 0.1946 27 H -3.2723 1.8966 -0.0034 H 1 UNL1111 0.1985 @BOND 1 1 21 1 2 2 11 2 3 3 22 1 4 4 3 ar 5 4 23 1 6 5 12 ar 7 5 13 ar 8 5 24 1 9 6 15 ar 10 6 25 1 11 7 15 ar 12 7 26 1 13 8 14 ar 14 8 27 1 15 9 17 ar 16 10 18 ar 17 11 1 1 18 12 6 ar 19 13 7 ar 20 14 3 ar 21 14 11 1 22 15 16 1 23 16 9 ar 24 16 10 ar 25 17 4 ar 26 18 8 ar 27 18 17 ar 28 19 12 1 29 20 13 1