0 mol 30 unq 0 iso 0 dist 5.9581 7.15015 5.81806 8.15347 5.09775 9.57664 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 5.9581 3.68549 5.39896 8.15347 5.09775 6.61952 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 8.98887 6.67213 5.51811 7.01107 4.21367 4.63184 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.37408 5.9651 8.66168 7.51631 5.37935 10.9724 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.79798 9.96446 16.134 4.96173 7.41773 11.3522 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 8.79798 6.70686 13.618 4.96173 7.41773 10.0591 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.96575 8.07365 8.88286 6.54247 6.56825 4.23405 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 8.59592 8.07365 9.02184 6.54247 4.92034 4.23405 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 8.63253 8.84131 6.42572 9.00369 8.94532 3.48119 numMergedOcc 0
9 mol 102 unq 1 iso 0 dist 5.15752 8.84131 5.54551 9.00369 6.94341 3.48119 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 8.25764 6.71293 5.31501 6.67979 8.5036 9.79481 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 9.87506 5.21803 6.9163 8.7019 4.06717 4.68369 numMergedOcc 0
12 mol 230 unq 0 iso 0 dist 8.2419 6.03738 5.45786 8.32382 3.99194 4.65404 numMergedOcc 0
13 mol 231 unq 0 iso 0 dist 6.00509 6.02527 5.3251 9.59251 5.70599 8.58535 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 6.82475 9.03917 11.9319 7.8548 13.1753 4.67058 numMergedOcc 0
15 mol 235 unq 1 iso 0 dist 6.82475 6.56775 5.19684 7.8548 13.1753 10.28 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 7.97228 9.07206 8.32714 6.26593 10.5393 13.3122 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 9.04513 8.49415 13.1882 9.40917 9.25767 5.94366 numMergedOcc 0
18 mol 265 unq 1 iso 0 dist 9.04513 8.49415 13.1882 5.44039 7.42513 7.71667 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 8.55696 6.95233 5.928 7.96613 16.3259 14.5358 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 8.55696 9.61741 9.08196 7.96613 16.3259 13.7682 numMergedOcc 0
21 mol 266 unq 2 iso 0 dist 8.55696 5.61056 6.4179 7.96613 16.3259 11.879 numMergedOcc 0
22 mol 266 unq 3 iso 0 dist 7.45814 6.95233 11.1633 7.96613 6.83135 14.5358 numMergedOcc 0
23 mol 266 unq 4 iso 0 dist 7.45814 9.61741 16.5582 7.96613 6.83135 13.7682 numMergedOcc 0
24 mol 266 unq 5 iso 0 dist 7.45814 5.61056 11.8299 7.96613 6.83135 11.879 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 7.64708 9.38793 10.9419 7.05489 5.82078 9.94225 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 5.73065 9.38793 12.4605 7.05489 7.94554 9.94225 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 9.91042 7.77765 12.9029 7.0445 9.78727 14.5847 numMergedOcc 0
