0 mol 51 unq 0 iso 0 dist 9.66898 6.50216 12.6076 9.83073 9.66244 11.1772 numMergedOcc 0
1 mol 51 unq 0 iso 1 dist 9.66898 9.83073 9.66244 6.50216 12.6076 11.1772 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.5915 9.83754 15.4924 5.01162 6.31564 9.7298 numMergedOcc 0
3 mol 54 unq 0 iso 1 dist 9.5915 5.01162 6.31564 9.83754 15.4924 9.7298 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 9.57953 9.81273 15.362 6.67575 5.42278 10.0023 numMergedOcc 0
5 mol 103 unq 0 iso 1 dist 9.57953 6.67575 5.42278 9.81273 15.362 10.0023 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 9.65148 9.82453 12.5917 8.79452 4.70331 9.29398 numMergedOcc 0
7 mol 108 unq 0 iso 1 dist 9.65148 8.79452 4.70331 9.82453 12.5917 9.29398 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 8.71274 9.28454 7.14659 7.97266 4.10446 6.2968 numMergedOcc 0
9 mol 123 unq 0 iso 1 dist 8.71274 7.97266 4.10446 9.28454 7.14659 6.2968 numMergedOcc 0
10 mol 183 unq 0 iso 0 dist 8.15747 5.83335 4.07773 9.92635 16.0056 14.4206 numMergedOcc 0
11 mol 183 unq 0 iso 1 dist 8.15747 9.92635 16.0056 5.83335 4.07773 14.4206 numMergedOcc 0
12 mol 183 unq 1 iso 0 dist 8.74903 9.86506 5.7389 7.86724 4.07773 8.9952 numMergedOcc 0
13 mol 183 unq 1 iso 1 dist 8.74903 7.86724 4.07773 9.86506 5.7389 8.9952 numMergedOcc 0
14 mol 183 unq 2 iso 0 dist 8.74903 9.86506 5.7389 7.85507 16.0056 15.9375 numMergedOcc 0
15 mol 183 unq 2 iso 1 dist 8.74903 7.85507 16.0056 9.86506 5.7389 15.9375 numMergedOcc 0
16 mol 183 unq 2 iso 0 dist 8.74903 7.86724 4.07773 7.85507 16.0056 14.4206 numMergedOcc 0
17 mol 183 unq 2 iso 1 dist 8.74903 7.85507 16.0056 7.86724 4.07773 14.4206 numMergedOcc 0
18 mol 183 unq 3 iso 0 dist 5.44125 5.83335 9.7245 9.92635 7.93856 14.4206 numMergedOcc 0
19 mol 183 unq 3 iso 1 dist 5.44125 9.92635 7.93856 5.83335 9.7245 14.4206 numMergedOcc 0
20 mol 183 unq 4 iso 0 dist 7.11505 9.86506 15.6656 7.86724 9.7245 8.9952 numMergedOcc 0
21 mol 183 unq 4 iso 1 dist 7.11505 7.86724 9.7245 9.86506 15.6656 8.9952 numMergedOcc 0
22 mol 183 unq 5 iso 0 dist 7.11505 9.86506 15.6656 7.85507 7.93856 15.9375 numMergedOcc 0
23 mol 183 unq 5 iso 1 dist 7.11505 7.85507 7.93856 9.86506 15.6656 15.9375 numMergedOcc 0
24 mol 183 unq 5 iso 0 dist 7.11505 7.86724 9.7245 7.85507 7.93856 14.4206 numMergedOcc 0
25 mol 183 unq 5 iso 1 dist 7.11505 7.85507 7.93856 7.86724 9.7245 14.4206 numMergedOcc 0
26 mol 188 unq 0 iso 0 dist 9.5523 8.48582 5.8486 9.94804 6.75677 8.07108 numMergedOcc 0
27 mol 188 unq 0 iso 1 dist 9.5523 9.94804 6.75677 8.48582 5.8486 8.07108 numMergedOcc 0
28 mol 219 unq 0 iso 0 dist 7.13496 9.52151 14.8716 8.62654 6.78678 16.4807 numMergedOcc 0
29 mol 219 unq 0 iso 1 dist 7.13496 8.62654 6.78678 9.52151 14.8716 16.4807 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 5.30455 7.97113 4.77489 5.22111 4.59239 4.70261 numMergedOcc 0
31 mol 259 unq 0 iso 1 dist 5.30455 5.22111 4.59239 7.97113 4.77489 4.70261 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 7.34794 7.97113 7.10624 5.22111 5.09929 4.70261 numMergedOcc 0
33 mol 259 unq 1 iso 1 dist 7.34794 5.22111 5.09929 7.97113 7.10624 4.70261 numMergedOcc 0
34 mol 259 unq 2 iso 0 dist 6.8184 8.38479 4.77489 8.53598 4.59239 4.70261 numMergedOcc 0
35 mol 259 unq 2 iso 1 dist 6.8184 8.53598 4.59239 8.38479 4.77489 4.70261 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 5.43053 3.90274 4.90213 7.49024 9.06715 9.45269 numMergedOcc 0
37 mol 266 unq 0 iso 1 dist 5.43053 7.49024 9.06715 3.90274 4.90213 9.45269 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 9.27493 8.15217 8.62596 7.62562 13.2785 6.07831 numMergedOcc 0
39 mol 274 unq 0 iso 1 dist 9.27493 7.62562 13.2785 8.15217 8.62596 6.07831 numMergedOcc 0
