0 mol 26 unq 0 iso 0 dist 8.62527 9.44507 12.1978 14.2845 18.68 8.98417 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 9.39738 6.66861 5.99401 8.03646 11.315 9.89804 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 9.9421 6.72084 5.99401 13.0255 11.315 9.89804 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 7.49861 6.23138 6.11938 7.89444 13.1935 9.23947 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 6.2165 6.23138 4.43442 7.89444 12.1414 9.23947 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 6.26491 6.85867 6.60008 5.53481 8.30943 7.01545 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 5.4421 9.73165 6.14352 9.74696 10.5033 7.78176 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.28161 6.37888 4.76916 6.18402 9.02482 5.74593 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 4.98783 7.11438 4.76916 11.011 9.02482 5.74593 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 8.55124 7.4518 11.6667 8.97237 12.5477 7.8962 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 7.55531 8.41411 10.5027 4.34199 10.848 7.48563 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 5.87592 6.66022 5.16645 11.1994 12.4919 8.12854 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 8.51507 7.6005 7.11876 8.77017 12.2658 8.03113 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 8.51507 7.6005 7.11876 16.186 15.4295 9.2638 numMergedOcc 0
14 mol 116 unq 2 iso 0 dist 8.22285 8.7583 7.11876 7.43615 12.2658 8.03113 numMergedOcc 0
15 mol 116 unq 3 iso 0 dist 8.22285 8.7583 7.11876 17.5453 15.4295 9.2638 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.06644 5.49198 5.90151 8.22726 9.54201 7.50264 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.53875 7.6793 12.6641 3.56357 10.1869 8.71007 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 4.93595 9.51638 9.16343 7.46995 6.03275 9.31172 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 8.21479 7.83422 8.15893 9.592 10.0659 9.25162 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 8.11437 9.69704 5.01342 13.127 13.6171 9.29788 numMergedOcc 0
21 mol 253 unq 1 iso 0 dist 8.11437 9.69704 5.01342 14.7487 13.4785 9.50983 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 9.86767 6.60049 6.28133 9.28841 12.5945 8.67838 numMergedOcc 0
