0 mol 20 unq 0 iso 0 dist 8.45518 9.05198 5.87364 9.08652 7.89835 10.5097 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.45518 9.05198 5.87364 12.575 9.94205 12.7656 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 8.45518 9.05198 5.87364 13.5049 9.08453 10.2902 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.24862 7.59157 5.99046 10.6271 6.24296 11.0952 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.24862 7.59157 5.99046 13.7977 6.83218 12.5181 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 6.50917 9.62215 5.45873 5.12918 8.72835 12.99 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 6.50917 6.84583 6.97995 5.12918 8.72835 6.34042 numMergedOcc 0
7 mol 91 unq 2 iso 0 dist 6.77052 3.98211 5.45873 12.0662 8.72835 12.99 numMergedOcc 0
8 mol 91 unq 3 iso 0 dist 6.77052 6.76611 6.97995 12.0662 8.72835 6.34042 numMergedOcc 0
9 mol 91 unq 4 iso 0 dist 9.19143 11.2906 4.86532 5.92311 6.64714 10.6223 numMergedOcc 0
10 mol 91 unq 5 iso 0 dist 9.23907 9.98867 4.86532 10.4112 6.64714 10.6223 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 7.76517 4.85096 6.70158 16.5528 9.43355 14.433 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 7.76517 4.85096 6.70158 11.6928 5.64141 9.54244 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 7.76517 4.85096 6.70158 8.79773 5.46186 9.86691 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 7.76517 7.09134 7.29701 16.5528 9.43355 14.9656 numMergedOcc 0
15 mol 93 unq 4 iso 0 dist 7.76517 7.09134 7.29701 11.6928 5.64141 11.5397 numMergedOcc 0
16 mol 93 unq 5 iso 0 dist 7.76517 7.09134 7.29701 8.79773 5.46186 5.43515 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 7.59407 7.77418 5.93497 6.00039 5.80831 3.99855 numMergedOcc 0
18 mol 123 unq 0 iso 0 dist 9.61215 6.03683 7.36361 14.2421 6.49766 10.9073 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 9.56189 5.9052 6.07708 7.91466 5.82174 4.60149 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 9.29665 14.041 6.23981 13.6582 4.48862 5.40367 numMergedOcc 0
21 mol 196 unq 1 iso 0 dist 9.29665 12.1654 5.92441 13.6582 4.48862 6.70817 numMergedOcc 0
22 mol 196 unq 2 iso 0 dist 7.21836 10.9094 6.23981 10.4797 4.48862 5.40367 numMergedOcc 0
23 mol 196 unq 3 iso 0 dist 7.21836 7.39685 5.92441 10.4797 4.48862 6.70817 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 7.80478 11.5984 8.58448 5.96447 9.98518 11.1883 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 9.22409 8.8314 8.58448 16.1319 9.98518 11.1883 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.80478 11.5984 8.58448 5.96447 9.98518 11.1883 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 9.22409 8.8314 8.58448 16.1319 9.98518 11.1883 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 7.80478 11.5984 8.58448 5.96447 9.98518 11.1883 numMergedOcc 0
29 mol 289 unq 1 iso 0 dist 9.22409 8.8314 8.58448 16.1319 9.98518 11.1883 numMergedOcc 0
