0 mol 27 unq 0 iso 0 dist 8.57551 7.96312 5.92112 15.4799 9.94082 7.60283 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.32506 7.67129 5.92112 14.1714 9.94082 7.60283 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.69374 5.60663 9.44799 4.09894 10.5246 8.58829 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.55565 6.66506 4.10173 13.1044 10.0641 7.10439 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 8.96872 8.83135 6.64001 3.97167 9.03785 6.05495 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 6.54326 7.31426 11.8731 9.81259 14.7068 7.1539 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.20544 7.81731 11.2619 5.80806 9.79579 7.70313 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 7.15255 8.36723 5.51374 5.73251 7.26577 6.71555 numMergedOcc 0
8 mol 173 unq 0 iso 0 dist 7.90789 9.31172 9.00139 8.94838 6.21271 6.64779 numMergedOcc 0
9 mol 173 unq 1 iso 0 dist 4.13397 9.31172 7.55884 8.94838 8.94895 6.64779 numMergedOcc 0
10 mol 174 unq 0 iso 0 dist 4.97597 5.07761 6.19344 6.26251 6.29723 7.47932 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 5.67457 4.88303 4.53585 12.848 13.1792 9.75763 numMergedOcc 0
12 mol 184 unq 1 iso 0 dist 5.67457 4.88303 4.53585 6.36605 10.1214 7.0685 numMergedOcc 0
13 mol 184 unq 2 iso 0 dist 5.67457 4.88303 4.53585 8.2618 6.96132 6.44904 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.1318 8.32948 9.68332 6.68039 13.6711 6.78758 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 7.15389 9.38952 3.84243 9.6632 7.06977 5.80452 numMergedOcc 0
16 mol 280 unq 1 iso 0 dist 7.15389 9.38952 3.84243 12.7222 10.9763 7.82157 numMergedOcc 0
17 mol 280 unq 2 iso 0 dist 7.8766 7.42529 9.3284 5.97333 12.2986 5.80452 numMergedOcc 0
18 mol 280 unq 3 iso 0 dist 7.8766 7.42529 9.3284 11.9982 15.9406 7.82157 numMergedOcc 0
19 mol 280 unq 4 iso 0 dist 7.70759 7.42529 3.84243 5.97333 7.06977 5.80452 numMergedOcc 0
20 mol 280 unq 5 iso 0 dist 7.70759 7.42529 3.84243 11.9982 10.9763 7.82157 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 8.45942 4.87349 12.2307 5.83318 13.7106 6.61376 numMergedOcc 0
