0 mol 20 unq 0 iso 0 dist 9.84657 4.98775 6.09002 11.991 5.47538 7.47395 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.2513 4.38299 9.45756 5.92771 9.26597 3.77542 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 8.2513 4.38299 9.45756 10.7473 4.60014 9.97314 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 8.91837 3.38932 8.11702 10.454 4.56372 9.29327 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 8.76613 3.45896 7.78789 10.1626 4.46691 9.02015 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 5.09114 4.92712 4.42563 8.41915 6.34716 8.565 numMergedOcc 0
6 mol 123 unq 0 iso 0 dist 8.87148 8.75597 8.111 14.2713 12.2105 5.56127 numMergedOcc 0
7 mol 123 unq 1 iso 0 dist 8.87148 8.75597 8.111 11.3337 12.5368 8.03692 numMergedOcc 0
8 mol 123 unq 2 iso 0 dist 8.87148 8.75597 8.111 9.85144 6.21159 5.36214 numMergedOcc 0
9 mol 123 unq 3 iso 0 dist 9.26057 6.36283 8.111 11.0811 12.2105 5.56127 numMergedOcc 0
10 mol 123 unq 4 iso 0 dist 9.26057 6.36283 8.111 12.2214 12.5368 8.03692 numMergedOcc 0
11 mol 123 unq 5 iso 0 dist 9.26057 6.36283 8.111 6.60464 6.21159 5.36214 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 8.72463 10.7652 8.99891 7.99127 6.75249 4.3855 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 5.80867 9.0575 8.08471 7.48253 4.27652 7.38825 numMergedOcc 0
14 mol 198 unq 1 iso 0 dist 9.4363 5.89703 8.08471 6.13687 4.27652 7.38825 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 8.59262 11.326 6.23183 11.9973 3.56132 6.80296 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 6.82185 7.38644 8.82761 10.3304 4.67313 9.71831 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 6.82881 7.85961 9.09354 7.86605 3.62097 7.93317 numMergedOcc 0
18 mol 213 unq 2 iso 0 dist 6.82881 7.38644 4.66576 10.3304 7.49785 9.71831 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 5.69465 7.97171 4.49592 12.892 7.22011 8.07775 numMergedOcc 0
