0 mol 20 unq 0 iso 0 dist 8.45518 10.8048 9.14371 9.08652 7.89835 4.95725 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.45518 10.8048 9.14371 12.575 9.94205 5.84217 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 8.45518 10.8048 9.14371 13.5049 9.08453 4.18921 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 6.50917 4.90945 6.91417 5.12918 8.72835 9.48557 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 6.77052 11.0049 6.91417 12.0662 8.72835 9.48557 numMergedOcc 0
5 mol 91 unq 2 iso 0 dist 9.19143 13.8442 8.00525 5.92311 6.64714 12.6799 numMergedOcc 0
6 mol 91 unq 3 iso 0 dist 9.23907 14.0448 8.00525 10.4112 6.64714 12.6799 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.76517 10.8637 9.10877 16.5528 9.43355 10.8106 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.76517 10.8637 9.10877 11.6928 5.64141 7.14217 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 7.76517 10.8637 9.10877 8.79773 5.46186 12.9351 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 7.59407 10.7105 6.5258 6.00039 5.80831 9.05551 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 9.61215 18.1241 9.99727 14.2421 6.49766 4.1335 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 7.69641 8.3808 7.81701 6.52033 9.62309 4.91618 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 8.50914 8.60388 6.32876 9.64488 7.96394 6.18464 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 8.50914 8.60388 6.32876 3.91103 8.01381 7.03671 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 8.50914 8.07905 9.25604 9.64488 7.96394 14.3561 numMergedOcc 0
16 mol 156 unq 3 iso 0 dist 8.50914 8.07905 9.25604 3.91103 8.01381 9.53971 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 6.72322 14.6279 9.03632 3.96267 6.68721 13.7172 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 9.56189 6.62543 9.09857 7.91466 5.82174 3.74688 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 5.79795 9.73148 7.14849 5.23156 5.4647 6.42973 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 9.29665 13.4674 4.97115 13.6582 4.48862 4.53084 numMergedOcc 0
21 mol 196 unq 1 iso 0 dist 9.29665 11.9947 9.45804 13.6582 4.48862 11.522 numMergedOcc 0
22 mol 196 unq 2 iso 0 dist 9.29665 7.67464 9.8486 13.6582 4.48862 13.0429 numMergedOcc 0
23 mol 196 unq 3 iso 0 dist 9.29665 4.50517 7.23126 13.6582 4.48862 11.5807 numMergedOcc 0
24 mol 196 unq 4 iso 0 dist 7.21836 7.69186 4.97115 10.4797 4.48862 4.53084 numMergedOcc 0
25 mol 196 unq 5 iso 0 dist 7.21836 6.82952 9.45804 10.4797 4.48862 11.522 numMergedOcc 0
26 mol 196 unq 6 iso 0 dist 7.21836 10.0693 9.8486 10.4797 4.48862 13.0429 numMergedOcc 0
27 mol 196 unq 7 iso 0 dist 7.21836 7.08535 7.23126 10.4797 4.48862 11.5807 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 6.8557 6.68484 5.5581 7.12863 9.04035 11.3125 numMergedOcc 0
29 mol 204 unq 1 iso 0 dist 5.76109 6.68484 9.66975 7.12863 8.73525 11.3125 numMergedOcc 0
30 mol 204 unq 2 iso 0 dist 6.13127 7.37147 5.5581 6.03168 9.04035 11.3125 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 6.83804 7.69192 9.23844 6.58216 8.15661 5.53809 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 7.78353 10.522 8.44108 15.0419 9.18386 7.09754 numMergedOcc 0
