0 mol 26 unq 0 iso 0 dist 8.6112 8.62693 6.66387 9.27369 10.5687 4.98603 numMergedOcc 0
1 mol 88 unq 0 iso 0 dist 8.00003 9.75205 10.8145 9.73165 5.99589 6.13989 numMergedOcc 0
2 mol 162 unq 0 iso 0 dist 9.50603 7.65559 13.6855 8.88796 4.12331 14.0185 numMergedOcc 0
3 mol 163 unq 0 iso 0 dist 7.5447 8.70104 6.00005 9.62943 14.0837 14.1153 numMergedOcc 0
4 mol 163 unq 1 iso 0 dist 9.04757 8.70104 14.0224 9.62943 6.09134 14.1153 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 5.75545 8.45395 6.22085 5.66363 5.18154 4.43678 numMergedOcc 0
6 mol 181 unq 1 iso 0 dist 5.75545 5.41368 4.48609 5.66363 5.18154 6.03415 numMergedOcc 0
7 mol 181 unq 2 iso 0 dist 8.86645 9.15368 6.22085 5.97968 5.18154 4.43678 numMergedOcc 0
8 mol 181 unq 3 iso 0 dist 8.86645 7.96182 4.48609 5.97968 5.18154 6.03415 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 9.718 6.87234 10.1799 9.26092 9.53964 5.53185 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 9.718 8.72017 5.48047 9.26092 9.53964 8.62085 numMergedOcc 0
11 mol 210 unq 2 iso 0 dist 8.61629 6.87234 8.05096 9.26092 5.82101 5.53185 numMergedOcc 0
12 mol 210 unq 3 iso 0 dist 8.61629 8.72017 6.25356 9.26092 5.82101 8.62085 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 9.37229 9.31669 4.91346 7.04477 13.3145 10.9418 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 5.86679 8.53888 4.12468 8.55613 5.40441 4.78857 numMergedOcc 0
15 mol 244 unq 0 iso 0 dist 5.06669 9.7208 12.8067 5.79898 10.6799 8.7459 numMergedOcc 0
16 mol 244 unq 1 iso 0 dist 5.65248 9.7208 13.5223 5.79898 8.05133 8.7459 numMergedOcc 0
17 mol 286 unq 0 iso 0 dist 5.03123 8.39965 7.82593 8.23877 4.08297 11.0225 numMergedOcc 0
