0 mol 18 unq 0 iso 0 dist 7.23594 5.16057 10.8911 9.00899 4.59668 10.5092 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.23594 5.16057 10.8911 7.826 13.2203 5.67014 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.0928 6.5461 11.1954 6.04822 5.03027 7.69713 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 7.0928 6.5461 11.1954 7.72717 8.17061 5.41737 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 8.28463 9.11084 12.8759 9.21811 9.11842 13.5146 numMergedOcc 0
5 mol 36 unq 0 iso 0 dist 8.05598 7.38433 6.97061 6.02824 4.24251 3.35055 numMergedOcc 0
6 mol 36 unq 1 iso 0 dist 7.34019 9.0321 10.1196 6.1084 4.24251 12.2373 numMergedOcc 0
7 mol 36 unq 2 iso 0 dist 7.34019 8.88147 6.97061 6.1084 4.24251 3.35055 numMergedOcc 0
8 mol 36 unq 3 iso 0 dist 8.43828 9.0321 5.81516 6.1084 9.98403 12.2373 numMergedOcc 0
9 mol 36 unq 4 iso 0 dist 8.43828 8.88147 12.6598 6.1084 9.98403 3.35055 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 6.27528 7.91401 6.14227 6.22498 5.10993 10.3344 numMergedOcc 0
11 mol 69 unq 1 iso 0 dist 6.27528 8.68643 9.0801 6.22498 5.10993 10.7264 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 5.02591 7.74797 5.40759 8.06358 6.9648 4.28553 numMergedOcc 0
13 mol 81 unq 0 iso 0 dist 8.93196 5.9013 9.48999 7.062 7.50394 5.62939 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 8.87148 9.43033 9.43434 8.18122 4.1335 7.20593 numMergedOcc 0
15 mol 123 unq 1 iso 0 dist 9.26057 9.93167 9.43434 6.70684 4.1335 7.20593 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 9.7168 9.62458 11.3247 9.8506 15.239 16.1985 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 7.38138 9.62458 9.61708 9.8506 8.68046 16.1985 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 9.61132 9.64273 11.3177 9.91991 15.2388 16.2155 numMergedOcc 0
19 mol 150 unq 1 iso 0 dist 7.34423 9.64273 9.72618 9.91991 8.55576 16.2155 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 6.64506 6.64996 7.02499 8.58805 6.29158 4.50659 numMergedOcc 0
21 mol 250 unq 0 iso 0 dist 6.18342 9.86436 4.43989 9.41222 9.19059 10.7384 numMergedOcc 0
