0 mol 25 unq 0 iso 0 dist 9.27448 9.07927 6.23352 9.41386 4.95627 9.31841 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 9.07927 9.27448 6.23352 9.41386 9.31841 4.95627 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.27448 9.07927 6.23352 4.71964 6.8396 6.10919 numMergedOcc 0
3 mol 25 unq 1 iso 1 dist 9.07927 9.27448 6.23352 4.71964 6.10919 6.8396 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.27448 9.07927 6.23352 6.58478 8.37381 10.5564 numMergedOcc 0
5 mol 25 unq 2 iso 1 dist 9.07927 9.27448 6.23352 6.58478 10.5564 8.37381 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 9.27448 8.50987 9.85159 9.41386 4.95627 12.6859 numMergedOcc 0
7 mol 25 unq 3 iso 1 dist 8.50987 9.27448 9.85159 9.41386 12.6859 4.95627 numMergedOcc 0
8 mol 25 unq 4 iso 0 dist 9.27448 8.50987 9.85159 4.71964 6.8396 5.86705 numMergedOcc 0
9 mol 25 unq 4 iso 1 dist 8.50987 9.27448 9.85159 4.71964 5.86705 6.8396 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 9.27448 8.50987 9.85159 6.58478 8.37381 10.7201 numMergedOcc 0
11 mol 25 unq 5 iso 1 dist 8.50987 9.27448 9.85159 6.58478 10.7201 8.37381 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 9.07927 8.50987 4.51512 9.41386 9.31841 12.6859 numMergedOcc 0
13 mol 25 unq 3 iso 1 dist 8.50987 9.07927 4.51512 9.41386 12.6859 9.31841 numMergedOcc 0
14 mol 25 unq 4 iso 0 dist 9.07927 8.50987 4.51512 4.71964 6.10919 5.86705 numMergedOcc 0
15 mol 25 unq 4 iso 1 dist 8.50987 9.07927 4.51512 4.71964 5.86705 6.10919 numMergedOcc 0
16 mol 25 unq 5 iso 0 dist 9.07927 8.50987 4.51512 6.58478 10.5564 10.7201 numMergedOcc 0
17 mol 25 unq 5 iso 1 dist 8.50987 9.07927 4.51512 6.58478 10.7201 10.5564 numMergedOcc 0
18 mol 135 unq 0 iso 0 dist 9.13451 9.171 6.57193 8.55869 11.2455 5.69612 numMergedOcc 0
19 mol 135 unq 0 iso 1 dist 9.171 9.13451 6.57193 8.55869 5.69612 11.2455 numMergedOcc 0
20 mol 135 unq 1 iso 0 dist 9.13451 9.171 6.57193 6.65965 8.50814 3.95636 numMergedOcc 0
21 mol 135 unq 1 iso 1 dist 9.171 9.13451 6.57193 6.65965 3.95636 8.50814 numMergedOcc 0
22 mol 197 unq 0 iso 0 dist 7.18765 7.41091 5.43601 5.65314 9.61454 7.59871 numMergedOcc 0
23 mol 197 unq 0 iso 1 dist 7.41091 7.18765 5.43601 5.65314 7.59871 9.61454 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 9.48923 9.67544 5.46031 9.69367 6.83765 4.61227 numMergedOcc 0
25 mol 229 unq 0 iso 1 dist 9.67544 9.48923 5.46031 9.69367 4.61227 6.83765 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 8.58958 7.17987 5.88703 4.37501 5.53885 3.95629 numMergedOcc 0
27 mol 234 unq 0 iso 1 dist 7.17987 8.58958 5.88703 4.37501 3.95629 5.53885 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 8.19458 9.45133 5.07774 7.42359 11.8376 12.0468 numMergedOcc 0
29 mol 243 unq 0 iso 1 dist 9.45133 8.19458 5.07774 7.42359 12.0468 11.8376 numMergedOcc 0
30 mol 257 unq 0 iso 0 dist 5.16581 5.13633 5.74182 7.57749 4.68866 5.66175 numMergedOcc 0
31 mol 257 unq 0 iso 1 dist 5.13633 5.16581 5.74182 7.57749 5.66175 4.68866 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 8.70852 9.89728 7.64658 6.93417 5.8801 11.8896 numMergedOcc 0
33 mol 259 unq 0 iso 1 dist 9.89728 8.70852 7.64658 6.93417 11.8896 5.8801 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 8.70852 6.42437 5.87173 6.93417 5.8801 5.81576 numMergedOcc 0
35 mol 259 unq 1 iso 1 dist 6.42437 8.70852 5.87173 6.93417 5.81576 5.8801 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 9.89728 6.42437 10.5239 6.93417 11.8896 5.81576 numMergedOcc 0
37 mol 259 unq 1 iso 1 dist 6.42437 9.89728 10.5239 6.93417 5.81576 11.8896 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 8.23147 6.49176 7.08227 7.98589 4.40029 3.97543 numMergedOcc 0
39 mol 277 unq 0 iso 1 dist 6.49176 8.23147 7.08227 7.98589 3.97543 4.40029 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 6.02089 6.87804 11.8061 8.51266 6.73772 15.2885 numMergedOcc 0
41 mol 292 unq 0 iso 1 dist 6.87804 6.02089 11.8061 8.51266 15.2885 6.73772 numMergedOcc 0
