0 mol 13 unq 0 iso 0 dist 9.2878 7.56303 6.67016 9.77526 10.8064 5.04036 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 9.2878 7.56303 6.67016 8.77656 5.4424 9.44958 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 7.60681 6.50983 8.65907 8.99307 14.1897 6.12212 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 8.49367 8.96804 8.45877 13.2668 14.2326 9.46302 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 7.86666 9.40222 10.0193 12.8258 15.1507 8.67545 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.91858 9.26179 10.0209 9.60689 14.9113 6.53468 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.91858 9.26179 10.0209 12.6588 14.4349 5.90954 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 7.5442 9.26179 6.28525 9.60689 11.1323 6.53468 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 7.5442 9.26179 6.28525 12.6588 11.6465 5.90954 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.90904 7.83401 5.45144 6.53566 9.63488 6.0733 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 7.76167 9.14135 6.41267 5.92269 6.60739 5.06687 numMergedOcc 0
11 mol 148 unq 1 iso 0 dist 8.63766 9.14135 6.8578 5.92269 9.22427 5.06687 numMergedOcc 0
12 mol 148 unq 2 iso 0 dist 8.42082 9.14135 8.58803 5.92269 5.55129 5.06687 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 7.83202 9.12067 6.48054 5.95123 6.71763 5.09809 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 8.7107 9.12067 6.83178 5.95123 9.32504 5.09809 numMergedOcc 0
15 mol 150 unq 2 iso 0 dist 8.47493 9.12067 8.52718 5.95123 5.53778 5.09809 numMergedOcc 0
16 mol 151 unq 0 iso 0 dist 8.20292 8.24746 7.40037 10.3952 12.9975 5.87912 numMergedOcc 0
17 mol 151 unq 1 iso 0 dist 8.20292 8.24746 7.40037 4.83603 10.0709 7.06678 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 7.37973 7.36125 8.09107 11.2522 15.9518 8.62966 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 6.075 9.99345 6.17439 9.47753 8.82869 9.2542 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 5.27696 9.99345 8.96737 9.47753 12.3449 9.2542 numMergedOcc 0
