0 mol 78 unq 0 iso 0 dist 6.09124 8.90372 10.6185 5.64101 6.09318 11.8447 numMergedOcc 0
1 mol 91 unq 0 iso 0 dist 8.81788 7.01323 4.14485 11.8323 5.51155 8.29601 numMergedOcc 0
2 mol 91 unq 1 iso 0 dist 7.01323 8.81788 4.14485 11.8323 8.29601 5.51155 numMergedOcc 0
3 mol 91 unq 2 iso 0 dist 7.23655 6.26129 4.12972 5.36459 8.18876 5.51155 numMergedOcc 0
4 mol 91 unq 3 iso 0 dist 7.23655 5.8881 4.59251 5.36459 8.18876 8.29601 numMergedOcc 0
5 mol 91 unq 4 iso 0 dist 6.26129 7.23655 4.12972 5.36459 5.51155 8.18876 numMergedOcc 0
6 mol 91 unq 5 iso 0 dist 6.26129 5.8881 4.14485 5.36459 5.51155 8.29601 numMergedOcc 0
7 mol 91 unq 6 iso 0 dist 5.8881 7.23655 4.59251 5.36459 8.29601 8.18876 numMergedOcc 0
8 mol 91 unq 7 iso 0 dist 5.8881 6.26129 4.14485 5.36459 8.29601 5.51155 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 5.21308 9.1984 5.35848 5.29804 8.88177 10.385 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 8.47929 9.71728 5.94498 7.31749 8.81493 6.49794 numMergedOcc 0
11 mol 128 unq 1 iso 0 dist 9.71728 8.47929 5.94498 7.31749 6.49794 8.81493 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 9.60392 5.13145 6.46748 12.4877 9.83024 10.6475 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 6.88436 5.28176 4.02178 7.73497 6.70738 8.55314 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 5.28176 6.88436 4.02178 7.73497 8.55314 6.70738 numMergedOcc 0
15 mol 240 unq 0 iso 0 dist 7.99097 5.05078 5.45961 13.4922 8.24704 11.2648 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 4.80928 9.92576 12.5546 7.52886 5.42605 17.0645 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 8.10349 9.62793 7.57203 9.97479 8.82741 10.1847 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 8.10349 9.98018 5.35679 9.97479 8.82741 4.88105 numMergedOcc 0
19 mol 243 unq 2 iso 0 dist 9.98018 8.10349 5.35679 9.97479 4.88105 8.82741 numMergedOcc 0
20 mol 243 unq 3 iso 0 dist 9.98018 8.10349 5.35679 8.68324 9.01318 11.8047 numMergedOcc 0
21 mol 243 unq 4 iso 0 dist 9.98018 9.62793 10.0238 9.97479 4.88105 10.1847 numMergedOcc 0
22 mol 243 unq 5 iso 0 dist 9.98018 9.62793 10.0238 8.68324 9.01318 13.0739 numMergedOcc 0
23 mol 243 unq 6 iso 0 dist 6.33501 8.46048 5.35679 11.0734 8.82741 4.88105 numMergedOcc 0
24 mol 243 unq 7 iso 0 dist 6.33501 6.67803 9.51432 11.0734 8.82741 16.8131 numMergedOcc 0
25 mol 243 unq 8 iso 0 dist 8.46048 6.33501 5.35679 11.0734 4.88105 8.82741 numMergedOcc 0
26 mol 243 unq 9 iso 0 dist 8.46048 6.33501 5.35679 11.1575 9.01318 11.8047 numMergedOcc 0
27 mol 243 unq 10 iso 0 dist 8.46048 6.67803 13.8885 11.0734 4.88105 16.8131 numMergedOcc 0
28 mol 243 unq 11 iso 0 dist 8.46048 6.67803 13.8885 11.1575 9.01318 17.1107 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 6.74917 6.31608 8.50848 10.4129 9.85857 15.5011 numMergedOcc 0
