0 mol 43 unq 0 iso 0 dist 8.47617 4.44406 6.09486 10.7814 9.83618 10.3911 numMergedOcc 0
1 mol 89 unq 0 iso 0 dist 5.25504 6.2836 4.30591 4.37893 8.75946 8.91778 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 4.75701 9.52334 6.10625 8.43244 8.39016 14.0794 numMergedOcc 0
3 mol 152 unq 0 iso 0 dist 9.0847 4.58432 5.97115 12.6562 9.13561 11.7604 numMergedOcc 0
4 mol 173 unq 0 iso 0 dist 9.09857 5.89342 6.06124 9.00192 8.31897 8.94895 numMergedOcc 0
5 mol 197 unq 0 iso 0 dist 9.14737 8.56661 14.465 7.69844 8.99696 10.939 numMergedOcc 0
6 mol 197 unq 1 iso 0 dist 9.14737 8.56661 14.465 15.0242 7.85058 21.9356 numMergedOcc 0
7 mol 197 unq 2 iso 0 dist 9.14737 8.56661 14.465 12.1399 9.96638 18.673 numMergedOcc 0
8 mol 197 unq 3 iso 0 dist 9.14737 6.20676 10.8461 7.69844 8.99696 9.71155 numMergedOcc 0
9 mol 197 unq 4 iso 0 dist 9.14737 6.20676 10.8461 15.0242 7.85058 18.3455 numMergedOcc 0
10 mol 197 unq 5 iso 0 dist 9.14737 6.20676 10.8461 12.1399 9.96638 16.5469 numMergedOcc 0
11 mol 197 unq 6 iso 0 dist 9.14737 7.36576 4.91336 7.69844 8.99696 9.28658 numMergedOcc 0
12 mol 197 unq 7 iso 0 dist 9.14737 7.36576 4.91336 15.0242 7.85058 12.5147 numMergedOcc 0
13 mol 197 unq 8 iso 0 dist 9.14737 7.36576 4.91336 12.1399 9.96638 13.5107 numMergedOcc 0
14 mol 240 unq 0 iso 0 dist 7.0935 8.87826 11.6095 6.65921 6.15305 14.8256 numMergedOcc 0
15 mol 240 unq 1 iso 0 dist 7.0935 8.87826 11.6095 10.6145 8.0951 11.9726 numMergedOcc 0
16 mol 240 unq 2 iso 0 dist 7.12912 8.87826 11.9494 6.65921 7.03489 14.8256 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 7.70059 5.7554 7.32025 7.2163 8.61104 5.31262 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 8.95261 8.13651 8.14464 9.63067 7.14834 9.52564 numMergedOcc 0
19 mol 257 unq 1 iso 0 dist 7.80336 7.70445 8.14464 5.47761 7.14834 9.52564 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 6.20344 8.42773 9.08426 12.9748 7.48005 14.7287 numMergedOcc 0
