diff --git a/tests/Fist/sample_pdb/butane.pdb b/tests/Fist/sample_pdb/butane.pdb
index a95c1abe84..84e32e714b 100644
--- a/tests/Fist/sample_pdb/butane.pdb
+++ b/tests/Fist/sample_pdb/butane.pdb
@@ -1,15 +1,15 @@
 REMARK IDENTICAL COORDS used for PINY test
-ATOM      1 CTL3 BUT A   1       0.496  -3.633   0.319  0.00 -0.27     BUT   C
-ATOM      2 HAL3 BUT A   1       1.524  -3.902   0.396  0.00  0.09     BUT   H
-ATOM      3 HAL3 BUT A   1       0.052  -3.962  -0.551  0.00  0.09     BUT   H
-ATOM      4 HAL3 BUT A   1      -0.071  -4.118   1.011  0.00  0.09     BUT   H
-ATOM      5 CTL2 BUT A   1       0.338  -2.099   0.495  0.00 -0.18     BUT   C
-ATOM      6 HAL2 BUT A   1      -0.556  -1.833   1.098  0.00  0.09     BUT   H
-ATOM      7 HAL2 BUT A   1       0.318  -1.614  -0.429  0.00  0.09     BUT   H
-ATOM      8 CTL2 BUT A   1       1.495  -1.584   1.361  0.00 -0.18     BUT   C
-ATOM      9 HAL2 BUT A   1       2.155  -2.316   1.673  0.00  0.09     BUT   H
-ATOM     10 HAL2 BUT A   1       0.976  -1.074   2.180  0.00  0.09     BUT   H
-ATOM     11 CTL3 BUT A   1       2.291  -0.530   0.620  0.00 -0.27     BUT   C
-ATOM     12 HAL3 BUT A   1       3.321  -0.690   0.771  0.00  0.09     BUT   H
-ATOM     13 HAL3 BUT A   1       1.996   0.440   0.940  0.00  0.09     BUT   H
-ATOM     14 HAL3 BUT A   1       2.068  -0.644  -0.402  0.00  0.09     BUT   H
+ATOM      1 CTL3 BUT A   1       0.496  -3.633   0.319  0.00 -0.27      BUT  C
+ATOM      2 HAL3 BUT A   1       1.524  -3.902   0.396  0.00  0.09      BUT  H
+ATOM      3 HAL3 BUT A   1       0.052  -3.962  -0.551  0.00  0.09      BUT  H
+ATOM      4 HAL3 BUT A   1      -0.071  -4.118   1.011  0.00  0.09      BUT  H
+ATOM      5 CTL2 BUT A   1       0.338  -2.099   0.495  0.00 -0.18      BUT  C
+ATOM      6 HAL2 BUT A   1      -0.556  -1.833   1.098  0.00  0.09      BUT  H
+ATOM      7 HAL2 BUT A   1       0.318  -1.614  -0.429  0.00  0.09      BUT  H
+ATOM      8 CTL2 BUT A   1       1.495  -1.584   1.361  0.00 -0.18      BUT  C
+ATOM      9 HAL2 BUT A   1       2.155  -2.316   1.673  0.00  0.09      BUT  H
+ATOM     10 HAL2 BUT A   1       0.976  -1.074   2.180  0.00  0.09      BUT  H
+ATOM     11 CTL3 BUT A   1       2.291  -0.530   0.620  0.00 -0.27      BUT  C
+ATOM     12 HAL3 BUT A   1       3.321  -0.690   0.771  0.00  0.09      BUT  H
+ATOM     13 HAL3 BUT A   1       1.996   0.440   0.940  0.00  0.09      BUT  H
+ATOM     14 HAL3 BUT A   1       2.068  -0.644  -0.402  0.00  0.09      BUT  H