0 mol 24 unq 0 iso 0 dist 6.36381 6.81998 9.586 12.511 14.4081 9.44691 8.2634 13.2071 9.04355 8.20058 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.94703 4.04757 9.98592 6.11056 4.79736 8.44664 8.95357 8.45916 11.9824 8.20058 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.63803 10.5687 6.07276 14.5062 5.56139 6.46104 13.9089 9.56639 5.63833 7.46207 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 4.47883 9.73623 6.21128 17.2956 13.4019 8.51663 17.1684 14.2 8.06801 8.52313 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 6.07514 7.10946 6.21128 13.3754 13.4019 8.51663 13.3206 14.2 8.06801 8.52313 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.33961 9.96465 8.46823 14.4342 10.4782 6.65501 18.5504 15.2414 11.0132 8.05602 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 8.3505 7.43001 4.62494 5.9747 3.9764 6.65501 11.1108 9.55337 11.0132 8.05602 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 9.29816 13.7832 8.46823 16.5524 10.4782 6.65501 16.9718 15.2414 11.0132 8.05602 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 5.08983 12.5752 8.46823 12.3884 10.4782 6.65501 17.8594 15.2414 11.0132 8.05602 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.46621 4.03135 7.56755 11.1103 5.00433 7.80523 13.7714 13.0202 10.8869 8.84523 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 9.94704 4.81814 7.56755 8.3164 5.00433 7.80523 7.12319 13.0202 10.8869 8.84523 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 6.53559 4.92611 6.34626 6.38163 6.28232 7.58957 8.56696 8.46972 5.85167 6.23966 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 8.09774 6.15789 6.34626 12.0922 6.28232 7.58957 9.22336 8.46972 5.85167 6.23966 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 7.25009 8.61147 9.16358 10.6076 4.91785 7.92304 11.1511 8.14405 5.52764 5.68636 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.76574 4.47323 5.74846 11.2403 13.6262 8.24693 9.0645 13.8812 8.99392 7.13441 numMergedOcc 0
15 mol 212 unq 0 iso 0 dist 5.03184 6.48939 9.10288 5.87223 3.9436 8.69988 12.1126 13.1493 10.6561 9.47932 numMergedOcc 0
16 mol 212 unq 1 iso 0 dist 5.03184 5.81626 6.19798 5.87223 3.9436 8.55903 12.1126 13.1493 15.0782 9.47932 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 4.97796 6.70266 9.65868 10.0379 14.7507 7.46394 9.82234 13.5288 4.48276 5.82876 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 4.97796 6.70266 9.65868 9.52894 13.0867 7.1729 9.82234 13.5288 4.48276 8.71129 numMergedOcc 0
19 mol 274 unq 2 iso 0 dist 7.15079 9.95931 7.77765 9.87411 5.22914 7.46394 10.9845 5.64169 4.48276 5.82876 numMergedOcc 0
20 mol 274 unq 3 iso 0 dist 7.15079 9.95931 7.77765 11.9968 10.2884 7.1729 10.9845 5.64169 4.48276 8.71129 numMergedOcc 0
