0 mol 20 unq 0 iso 0 dist 9.98157 12.9008 8.26091 10.1133 6.22202 9.0017 10.1466 3.59314 8.72342 9.47299 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.11382 11.1055 8.25818 6.03041 7.19357 7.18124 8.7263 9.63925 7.85986 3.4435 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.11382 11.1055 8.25818 17.3312 13.7061 8.10168 8.7263 9.63925 7.85986 15.6705 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 9.56722 10.0008 7.08766 18.5879 11.9912 8.90935 18.0728 10.8722 8.69709 3.69138 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.23294 3.27874 5.20429 9.98126 3.80877 6.9447 7.24843 5.01255 5.56839 5.39918 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 8.23294 3.27874 5.20429 9.98126 3.80877 6.9447 7.63783 8.98901 7.83506 9.73503 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 8.2702 3.27874 8.71366 9.98126 12.771 6.9447 7.24843 9.11323 5.56839 5.39918 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 8.2702 3.27874 8.71366 9.98126 12.771 6.9447 7.63783 8.52329 7.83506 9.73503 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 8.51084 7.42165 4.91212 12.9393 5.39108 6.34004 16.5492 8.83426 9.72371 3.67964 numMergedOcc 0
9 mol 111 unq 1 iso 0 dist 5.53271 7.42165 9.34782 12.9393 13.201 6.34004 16.5492 16.815 9.72371 3.67964 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.44 12.8761 5.31126 10.0434 4.62493 8.46167 15.3806 6.29259 7.40338 8.69658 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 9.44 12.8761 5.31126 10.0434 4.62493 8.46167 17.2791 8.17309 6.23759 11.1416 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 8.47634 12.8761 7.16619 10.0434 6.47997 8.46167 15.3806 7.08122 7.40338 8.69658 numMergedOcc 0
13 mol 113 unq 3 iso 0 dist 8.47634 12.8761 7.16619 10.0434 6.47997 8.46167 17.2791 9.30967 6.23759 11.1416 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 9.72421 3.50983 8.78115 9.93886 3.21474 8.20345 11.2105 4.10526 9.42762 5.25923 numMergedOcc 0
15 mol 123 unq 1 iso 0 dist 9.72421 11.8396 8.03692 18.4067 12.1183 8.24171 11.2105 4.10526 7.30244 9.04448 numMergedOcc 0
16 mol 123 unq 2 iso 0 dist 9.72421 11.8396 8.03692 9.93886 3.21474 5.38148 11.2105 4.10526 7.30244 5.25923 numMergedOcc 0
17 mol 123 unq 3 iso 0 dist 9.72421 11.8396 8.03692 18.3151 12.6794 6.63094 11.2105 4.10526 7.30244 11.8191 numMergedOcc 0
18 mol 123 unq 4 iso 0 dist 8.09682 3.61945 5.56127 10.1197 3.00129 8.24171 7.36361 7.88813 7.30244 9.04448 numMergedOcc 0
19 mol 123 unq 5 iso 0 dist 8.09682 3.61945 5.56127 6.49558 8.56894 5.38148 7.36361 7.88813 7.30244 5.25923 numMergedOcc 0
20 mol 123 unq 6 iso 0 dist 8.09682 3.61945 5.56127 10.0457 5.2546 6.63094 7.36361 7.88813 7.30244 11.8191 numMergedOcc 0
21 mol 123 unq 7 iso 0 dist 8.35926 5.85997 8.78115 6.49558 3.21474 8.20345 7.36361 4.10526 9.42762 5.25923 numMergedOcc 0
22 mol 123 unq 8 iso 0 dist 8.35926 3.61945 8.03692 10.1197 12.1183 8.24171 7.36361 4.10526 7.30244 9.04448 numMergedOcc 0
23 mol 123 unq 9 iso 0 dist 8.35926 3.61945 8.03692 6.49558 3.21474 5.38148 7.36361 4.10526 7.30244 5.25923 numMergedOcc 0
24 mol 123 unq 10 iso 0 dist 8.35926 3.61945 8.03692 10.0457 12.6794 6.63094 7.36361 4.10526 7.30244 11.8191 numMergedOcc 0
25 mol 123 unq 11 iso 0 dist 7.41568 3.61945 5.36214 10.1197 10.7803 8.24171 7.36361 12.6384 7.30244 9.04448 numMergedOcc 0
26 mol 123 unq 12 iso 0 dist 7.41568 3.61945 5.36214 6.49558 9.94939 5.38148 7.36361 12.6384 7.30244 5.25923 numMergedOcc 0
27 mol 123 unq 13 iso 0 dist 7.41568 3.61945 5.36214 10.0457 5.79985 6.63094 7.36361 12.6384 7.30244 11.8191 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 8.4625 11.4589 4.68668 14.7865 7.67746 9.97939 16.4834 9.88575 8.58427 12.4081 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 8.4625 11.4589 4.68668 14.7865 7.67746 9.97939 16.4834 9.88575 8.58427 12.4081 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 8.4625 11.4589 4.68668 14.7865 7.67746 9.97939 16.4834 9.88575 8.58427 12.4081 numMergedOcc 0
