0 mol 10 unq 0 iso 0 dist 9.20508 8.97985 6.08667 6.97549 5.59978 8.37646 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.20508 8.97985 6.08667 6.47424 11.3122 8.31255 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 9.93682 8.97985 3.9383 6.97549 6.57715 8.37646 numMergedOcc 0
3 mol 10 unq 3 iso 0 dist 9.93682 8.97985 3.9383 6.47424 8.28568 8.31255 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 6.77108 6.29808 6.29572 8.07673 5.14485 9.90334 numMergedOcc 0
5 mol 21 unq 1 iso 0 dist 6.77108 7.46409 5.55622 8.07673 5.14485 10.4809 numMergedOcc 0
6 mol 21 unq 2 iso 0 dist 6.77108 8.99131 4.02349 8.07673 5.14485 4.70114 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 8.12171 6.77987 9.39212 7.63824 4.11146 7.63404 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 7.77386 9.6401 6.23298 5.89846 3.23074 4.73277 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 5.99046 6.24296 11.0952 8.15861 11.3242 3.65186 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 5.99046 6.24296 11.0952 9.27814 8.44 14.6387 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 5.99046 6.83218 12.5181 8.15861 11.3242 7.00044 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 5.99046 6.83218 12.5181 9.27814 8.44 15.2529 numMergedOcc 0
13 mol 91 unq 0 iso 0 dist 4.86532 6.64714 10.6223 7.09177 5.21888 9.60912 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 6.70158 9.43355 14.433 8.61597 14.19 13.6138 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 6.70158 5.64141 9.54244 8.61597 14.19 12.3588 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 6.70158 5.46186 9.86691 8.61597 14.19 4.98621 numMergedOcc 0
17 mol 93 unq 3 iso 0 dist 7.29701 9.43355 14.9656 8.61597 6.4154 13.6138 numMergedOcc 0
18 mol 93 unq 4 iso 0 dist 7.29701 5.64141 11.5397 8.61597 6.4154 12.3588 numMergedOcc 0
19 mol 93 unq 5 iso 0 dist 7.29701 5.46186 5.43515 8.61597 6.4154 4.98621 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 6.45174 5.93561 7.14708 5.81859 9.63255 9.79375 numMergedOcc 0
21 mol 109 unq 1 iso 0 dist 6.45174 5.33967 9.91505 5.81859 9.63255 3.54756 numMergedOcc 0
22 mol 109 unq 2 iso 0 dist 8.46446 5.93561 13.0165 5.81859 4.0719 9.79375 numMergedOcc 0
23 mol 109 unq 3 iso 0 dist 8.46446 5.33967 7.60413 5.81859 4.0719 3.54756 numMergedOcc 0
24 mol 123 unq 0 iso 0 dist 7.36361 6.49766 10.9073 8.09682 7.88813 8.42496 numMergedOcc 0
25 mol 123 unq 1 iso 0 dist 7.36361 6.49766 10.9073 8.35926 4.10526 10.3919 numMergedOcc 0
26 mol 123 unq 2 iso 0 dist 7.36361 6.49766 10.9073 7.41568 12.6384 3.3389 numMergedOcc 0
27 mol 147 unq 0 iso 0 dist 6.6094 8.73613 3.88427 8.94352 10.1443 8.67676 numMergedOcc 0
28 mol 173 unq 0 iso 0 dist 6.07708 5.82174 4.60149 9.31914 8.66075 8.19035 numMergedOcc 0
29 mol 184 unq 0 iso 0 dist 9.13228 8.90926 13.4105 7.42696 12.8344 8.05795 numMergedOcc 0
30 mol 184 unq 1 iso 0 dist 9.13228 8.90926 13.4105 5.86468 6.04545 9.99712 numMergedOcc 0
31 mol 184 unq 2 iso 0 dist 9.13228 8.90926 13.4105 8.73302 4.12242 12.1721 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 8.58448 9.98518 11.1883 8.15636 12.1224 16.9188 numMergedOcc 0
33 mol 287 unq 1 iso 0 dist 8.58448 9.98518 11.1883 7.86292 7.22206 12.935 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 8.58448 9.98518 11.1883 8.15636 12.1224 16.9188 numMergedOcc 0
35 mol 288 unq 1 iso 0 dist 8.58448 9.98518 11.1883 7.86292 7.22206 12.935 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 8.58448 9.98518 11.1883 8.15636 12.1224 16.9188 numMergedOcc 0
37 mol 289 unq 1 iso 0 dist 8.58448 9.98518 11.1883 7.86292 7.22206 12.935 numMergedOcc 0
