0 mol 2 unq 0 iso 0 dist 8.66033 14.6076 6.52386 5.62761 6.35342 12.506 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.54324 9.8254 6.52386 11.9523 6.35342 12.506 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.71959 9.2768 8.57437 14.1165 9.85726 17.7278 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 9.2878 8.77656 5.4424 7.01217 7.97656 11.3605 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 6.69294 13.7871 9.42142 9.88721 8.39221 5.63648 numMergedOcc 0
5 mol 14 unq 1 iso 0 dist 5.35021 11.3079 9.42142 11.7436 8.39221 5.63648 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 9.6104 15.0335 9.60995 11.5896 6.80741 4.61096 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 9.22881 7.90703 6.23298 6.26544 9.9348 11.8103 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 9.22881 6.12484 9.85405 6.26544 9.9348 10.4042 numMergedOcc 0
9 mol 67 unq 2 iso 0 dist 4.52009 8.59074 6.23298 6.57092 9.9348 11.8103 numMergedOcc 0
10 mol 67 unq 3 iso 0 dist 4.52009 10.4436 9.85405 6.57092 9.9348 10.4042 numMergedOcc 0
11 mol 67 unq 4 iso 0 dist 8.28902 8.36652 6.23298 6.14545 9.9348 11.8103 numMergedOcc 0
12 mol 67 unq 5 iso 0 dist 8.28902 6.53985 9.85405 6.14545 9.9348 10.4042 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 8.91858 16.776 9.10386 5.58228 9.68526 15.7901 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 8.91858 16.776 9.10386 16.0863 7.26679 4.69583 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 8.91858 16.776 9.10386 13.5581 9.30776 15.8603 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 8.07051 11.6306 8.52125 6.27843 6.78459 5.89399 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 9.92525 12.8431 7.66832 8.47277 8.21889 9.47324 numMergedOcc 0
18 mol 109 unq 1 iso 0 dist 9.92525 12.8431 7.66832 12.9188 9.74643 4.93112 numMergedOcc 0
19 mol 109 unq 2 iso 0 dist 9.92525 12.8431 7.66832 8.85075 6.86702 4.48038 numMergedOcc 0
20 mol 109 unq 3 iso 0 dist 9.92525 11.975 8.11083 8.47277 8.21889 12.7688 numMergedOcc 0
21 mol 109 unq 4 iso 0 dist 9.92525 11.975 8.11083 12.9188 9.74643 10.5733 numMergedOcc 0
22 mol 109 unq 5 iso 0 dist 9.92525 11.975 8.11083 8.85075 6.86702 4.76017 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 9.39818 6.17994 5.28955 15.5056 9.93703 10.7421 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.91758 7.72465 5.28955 17.2431 9.93703 10.7421 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 6.61966 4.85533 6.67306 8.43108 9.42766 8.8283 numMergedOcc 0
26 mol 127 unq 0 iso 0 dist 6.46753 4.8564 8.88979 6.02237 8.40046 6.09267 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 4.84604 9.45934 6.85651 12.9151 8.84018 4.84607 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 4.84604 5.10912 7.03858 12.9151 8.84018 11.981 numMergedOcc 0
29 mol 185 unq 0 iso 0 dist 9.94658 12.445 5.40655 15.6793 8.04591 5.77911 numMergedOcc 0
30 mol 197 unq 0 iso 0 dist 6.66634 9.71601 6.50727 9.90664 9.5331 4.83116 numMergedOcc 0
31 mol 197 unq 1 iso 0 dist 6.66634 13.0921 7.84826 9.90664 9.5331 10.1332 numMergedOcc 0
32 mol 211 unq 0 iso 0 dist 8.47937 8.40497 7.38723 7.83036 8.63308 3.99353 numMergedOcc 0
33 mol 222 unq 0 iso 0 dist 9.91243 12.5271 6.74371 6.79177 9.93257 10.3288 numMergedOcc 0
34 mol 226 unq 0 iso 0 dist 9.29519 6.08918 8.10096 6.86095 9.5723 5.47434 numMergedOcc 0
35 mol 241 unq 0 iso 0 dist 8.99792 5.69491 8.15897 4.99503 9.72526 9.87799 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 9.09556 4.86861 6.98812 9.96224 9.59213 5.58514 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 5.49473 9.32871 5.27236 6.45234 6.47832 5.57606 numMergedOcc 0
