0 mol 16 unq 0 iso 0 dist 6.80052 5.37319 6.86324 6.39388 7.47858 10.5824 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.68517 6.65577 6.75381 5.1333 6.72833 10.3873 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.94828 6.60191 8.46842 6.84017 6.16347 10.4123 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.94828 6.60191 8.46842 15.5398 7.92503 12.1605 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.50575 4.97528 6.3982 13.4067 6.92026 10.6104 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 8.43116 10.0493 6.3982 5.19545 6.92026 10.6104 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 4.68975 4.68337 8.31743 6.64576 5.83771 6.89623 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 4.9155 4.68337 8.5778 6.64576 7.80532 6.89623 numMergedOcc 0
8 mol 134 unq 2 iso 0 dist 8.49987 5.16288 8.5778 5.54455 7.80532 6.89623 numMergedOcc 0
9 mol 134 unq 3 iso 0 dist 9.42271 12.1816 8.5778 5.87436 7.80532 6.89623 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 8.78509 4.91512 9.84636 5.41751 7.33273 6.84084 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.77347 6.72843 5.47189 10.0244 8.73217 6.49544 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 7.70631 4.48352 9.00273 14.5203 7.50013 15.996 numMergedOcc 0
13 mol 197 unq 1 iso 0 dist 7.70631 4.48352 9.00273 11.199 5.81233 13.9428 numMergedOcc 0
14 mol 197 unq 2 iso 0 dist 7.70631 4.48352 9.00273 12.0358 6.92924 10.6805 numMergedOcc 0
15 mol 197 unq 3 iso 0 dist 7.70631 4.48352 9.00273 7.10431 7.14306 8.06716 numMergedOcc 0
16 mol 197 unq 4 iso 0 dist 7.70631 5.0414 7.19387 14.5203 7.50013 11.8776 numMergedOcc 0
17 mol 197 unq 5 iso 0 dist 7.70631 5.0414 7.19387 11.199 5.81233 7.82456 numMergedOcc 0
18 mol 197 unq 6 iso 0 dist 7.70631 5.0414 7.19387 12.0358 6.92924 12.657 numMergedOcc 0
19 mol 197 unq 7 iso 0 dist 7.70631 5.0414 7.19387 7.10431 7.14306 6.07107 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 7.57253 5.04399 6.94983 5.70548 9.05071 4.03628 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.82778 15.973 9.73858 15.4125 8.84636 4.91532 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 9.91518 17.7311 8.62414 11.8916 8.00673 10.5063 numMergedOcc 0
