0 mol 24 unq 0 iso 0 dist 6.11056 8.95357 8.20058 11.095 8.60554 13.4836 17.6238 14.8647 19.4811 6.61696 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.11056 8.95357 8.20058 11.095 8.60554 13.4836 10.4056 5.11636 11.6434 5.80953 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.11056 8.95357 8.20058 4.04757 8.44664 11.9824 8.94703 4.79736 8.45916 9.98592 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.11056 8.95357 8.20058 6.66757 9.44691 9.04355 15.2305 14.4081 13.2071 9.586 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.88413 5.30126 6.22122 10.7087 7.55264 6.63966 16.4805 14.9982 14.5916 9.16515 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.88413 5.30126 6.22122 10.7087 7.55264 6.63966 18.5622 14.1251 15.9245 9.82987 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 8.88413 5.30126 6.22122 10.7087 7.55264 6.63966 16.1203 8.41421 13.2138 9.40732 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 8.88413 5.30126 6.22122 10.7087 7.55264 6.63966 13.4236 5.68041 9.95169 6.53269 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 5.41493 6.19414 8.52313 4.08339 8.51663 8.06801 9.74532 13.4019 14.2 6.21128 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.9747 11.1108 8.05602 7.43001 6.65501 11.0132 14.2657 10.4782 15.2414 8.46823 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.9747 11.1108 8.05602 7.43001 6.65501 11.0132 8.3505 3.9764 9.55337 4.62494 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 4.50572 9.17639 8.05602 9.5305 6.65501 11.0132 14.7607 10.4782 15.2414 8.46823 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 4.50572 9.17639 8.05602 9.5305 6.65501 11.0132 8.32269 3.9764 9.55337 4.62494 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 8.3164 7.12319 8.84523 4.81814 7.80523 10.8869 9.94704 5.00433 13.0202 7.56755 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 8.89481 4.57112 9.08014 11.2266 8.8822 10.3234 18.4602 13.9729 18.97 9.30645 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 6.38163 8.56696 6.23966 4.92611 7.58957 5.85167 6.53559 6.28232 8.46972 6.34626 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 7.97007 5.21344 7.47975 6.69743 8.4858 9.90351 10.0117 4.48323 11.27 9.35202 numMergedOcc 0
17 mol 212 unq 0 iso 0 dist 5.87223 12.1126 9.47932 6.48939 8.69988 10.6561 5.03184 3.9436 13.1493 9.10288 numMergedOcc 0
18 mol 212 unq 1 iso 0 dist 5.87223 12.1126 9.47932 5.81626 8.55903 15.0782 5.03184 3.9436 13.1493 6.19798 numMergedOcc 0
19 mol 212 unq 2 iso 0 dist 8.062 4.95466 9.47932 10.4595 8.69988 10.6561 11.3822 3.9436 13.1493 9.10288 numMergedOcc 0
20 mol 212 unq 3 iso 0 dist 8.062 4.95466 9.47932 14.0193 8.55903 15.0782 11.3822 3.9436 13.1493 6.19798 numMergedOcc 0
21 mol 212 unq 4 iso 0 dist 8.70011 11.245 9.47932 8.87823 8.69988 10.6561 9.54676 3.9436 13.1493 9.10288 numMergedOcc 0
22 mol 212 unq 5 iso 0 dist 8.70011 11.245 9.47932 10.7245 8.55903 15.0782 9.54676 3.9436 13.1493 6.19798 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 9.55777 14.056 5.47561 12.979 7.67576 10.3328 15.2698 6.84862 8.51427 8.43195 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 9.55777 14.056 5.47561 12.979 7.67576 10.3328 16.9252 9.53117 11.6182 8.23406 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 7.70279 5.18593 8.89211 6.36084 8.50102 7.46856 12.6048 9.74344 15.7335 9.9183 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 9.52894 9.82234 8.71129 6.70266 7.1729 4.48276 8.97249 10.2884 5.64169 7.77765 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 9.52894 9.82234 8.71129 6.70266 7.1729 4.48276 4.97796 13.0867 13.5288 9.65868 numMergedOcc 0
