0 mol 1 unq 0 iso 0 dist 5.87976 9.48433 6.35409 10.1549 12.2079 9.00903 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.50539 6.34277 5.8503 5.55893 8.6396 5.04899 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.83402 8.46842 5.59268 13.3513 10.5993 7.57578 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.83402 8.46842 5.59268 14.4516 8.88413 7.17969 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.58806 9.07927 12.1122 6.44262 13.3292 7.31767 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.58806 8.50987 14.3338 6.44262 13.3292 6.03987 numMergedOcc 0
6 mol 52 unq 0 iso 0 dist 8.87569 8.52979 10.8037 11.4352 18.4065 9.80098 numMergedOcc 0
7 mol 52 unq 1 iso 0 dist 8.87569 8.52979 10.8037 14.6092 18.0843 7.34143 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 8.91055 8.14057 5.36296 7.39819 10.1738 5.83409 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 8.08937 7.02792 3.9675 11.4302 12.8919 9.35224 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 8.08937 7.02792 3.9675 6.20162 10.0257 6.56369 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 9.35529 9.41521 5.89379 11.2541 12.2464 8.75408 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 9.35529 9.41521 5.89379 8.90504 11.2107 6.44653 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 4.76012 6.1421 6.43966 7.86921 10.2333 8.54584 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 9.87066 6.44766 5.59449 7.69184 6.31125 6.85062 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 7.56833 7.49404 5.6098 7.91807 6.31125 8.40312 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 6.34149 9.45717 14.5572 4.28997 9.60921 6.82262 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 8.63279 9.45717 16.553 4.28997 12.4731 6.82262 numMergedOcc 0
18 mol 170 unq 0 iso 0 dist 9.2621 7.47249 7.71028 6.8201 13.6682 9.76807 numMergedOcc 0
19 mol 180 unq 0 iso 0 dist 9.13402 7.24785 10.2567 14.0966 19.2043 9.62337 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 9.22999 5.07968 5.38988 4.58603 12.5997 9.41367 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 6.17749 8.81925 4.82768 9.75789 10.8522 8.01589 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 6.17749 8.81925 4.82768 12.7799 10.0664 7.7699 numMergedOcc 0
23 mol 222 unq 2 iso 0 dist 6.17749 8.81925 4.82768 12.5625 7.85877 7.21333 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 8.17234 9.67544 6.21233 6.23286 5.57702 9.87838 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 8.15743 6.94983 9.60401 5.08111 9.29752 8.27212 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 6.28725 9.5181 6.94762 9.15708 12.3151 9.36357 numMergedOcc 0
27 mol 234 unq 1 iso 0 dist 6.28725 9.5181 6.94762 4.94699 7.86368 6.7625 numMergedOcc 0
28 mol 234 unq 2 iso 0 dist 5.67249 8.58958 10.3064 16.0172 18.4878 8.34494 numMergedOcc 0
29 mol 234 unq 3 iso 0 dist 5.67249 8.58958 10.3064 14.7629 15.2381 6.56247 numMergedOcc 0
30 mol 234 unq 4 iso 0 dist 5.67249 8.58958 10.3064 13.5847 12.803 9.36357 numMergedOcc 0
31 mol 234 unq 5 iso 0 dist 5.67249 7.17987 6.50055 14.7629 15.2381 9.45496 numMergedOcc 0
32 mol 234 unq 6 iso 0 dist 5.67249 7.17987 6.50055 13.5847 12.803 6.7625 numMergedOcc 0
33 mol 234 unq 7 iso 0 dist 9.72222 9.70004 17.3839 10.9359 18.362 8.34494 numMergedOcc 0
34 mol 234 unq 8 iso 0 dist 9.72222 9.70004 17.3839 14.3229 21.9882 6.56247 numMergedOcc 0
35 mol 234 unq 9 iso 0 dist 9.72222 9.70004 17.3839 17.5883 22.6551 9.36357 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 5.40329 6.67907 4.32403 5.81354 9.05929 8.04248 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 5.40329 6.0087 4.38595 11.2678 11.3361 8.03456 numMergedOcc 0
38 mol 236 unq 2 iso 0 dist 5.40329 6.0087 4.38595 12.338 9.89665 6.84306 numMergedOcc 0
39 mol 236 unq 3 iso 0 dist 5.40329 6.0087 4.38595 12.431 14.0991 9.99038 numMergedOcc 0
40 mol 236 unq 4 iso 0 dist 5.40329 6.0087 4.38595 8.71933 11.8422 9.78037 numMergedOcc 0
41 mol 236 unq 5 iso 0 dist 5.40329 6.0087 4.38595 5.81354 9.05929 8.35971 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 5.03174 6.20796 6.12009 6.9758 10.7664 9.17653 numMergedOcc 0
43 mol 264 unq 1 iso 0 dist 7.22743 7.73693 6.12009 5.00433 10.7664 9.17653 numMergedOcc 0
44 mol 264 unq 2 iso 0 dist 9.51483 9.82685 7.46632 4.33194 11.7413 9.17653 numMergedOcc 0
45 mol 292 unq 0 iso 0 dist 6.84909 6.87804 8.04474 11.634 9.30668 8.2734 numMergedOcc 0
46 mol 292 unq 1 iso 0 dist 6.38051 6.07571 9.00118 8.66797 12.6526 8.2734 numMergedOcc 0
