0 mol 36 unq 0 iso 0 dist 9.14828 5.83354 7.22428 6.03866 7.00857 8.97567 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 7.41911 7.19203 5.23849 6.31365 4.39888 6.7739 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 7.41911 7.19203 5.23849 5.08329 5.29595 8.3318 numMergedOcc 0
3 mol 68 unq 2 iso 0 dist 9.31455 9.32972 8.81593 5.74636 4.39888 9.7662 numMergedOcc 0
4 mol 68 unq 3 iso 0 dist 9.31455 9.32972 8.81593 8.30034 5.29595 12.4542 numMergedOcc 0
5 mol 68 unq 4 iso 0 dist 9.31455 8.8095 5.23849 5.74636 4.39888 6.7739 numMergedOcc 0
6 mol 68 unq 5 iso 0 dist 9.31455 8.8095 5.23849 8.30034 5.29595 8.3318 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 7.77423 7.9663 8.93743 13.5293 8.12319 17.0239 numMergedOcc 0
8 mol 151 unq 0 iso 0 dist 6.42948 8.40442 5.77717 12.5595 8.16646 13.0206 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 6.20806 9.08767 6.59534 9.25561 9.08818 15.0964 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 6.20806 9.08767 6.59534 8.62184 7.93563 12.168 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 6.20806 9.08767 6.59534 7.75953 5.70056 11.8348 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 8.87588 7.57716 8.15043 14.3362 9.531 16.07 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 8.87588 8.98362 10.4154 14.3362 9.531 16.0999 numMergedOcc 0
14 mol 249 unq 0 iso 0 dist 9.39819 6.18866 7.82195 10.441 5.7671 9.38713 numMergedOcc 0
15 mol 249 unq 1 iso 0 dist 9.39819 9.3807 12.7461 10.441 5.7671 14.5497 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 8.04439 6.12202 4.84163 12.246 8.90276 12.8636 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 8.04439 6.12202 4.84163 7.08565 8.15409 10.1141 numMergedOcc 0
18 mol 276 unq 0 iso 0 dist 7.76689 8.14494 7.93109 6.79594 9.33041 9.08396 numMergedOcc 0
19 mol 276 unq 1 iso 0 dist 7.76689 8.14494 7.93109 12.2619 8.7117 13.9901 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 9.0626 7.88405 5.2842 5.01922 9.33601 8.91437 numMergedOcc 0
