0 mol 25 unq 0 iso 0 dist 8.58806 9.27448 7.15972 5.46378 6.23336 6.674 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.58806 9.07927 12.1122 5.46378 6.23336 8.43188 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.58806 8.50987 14.3338 5.46378 6.23336 10.3635 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.76383 5.17291 7.19147 5.667 4.42702 4.93067 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 4.3761 9.58693 8.91618 7.00373 4.45424 12.0313 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 4.3761 9.48388 12.3835 7.00373 4.45424 11.2452 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.84583 9.58693 12.9994 7.00373 9.47873 12.0313 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 5.84583 9.48388 4.96747 7.00373 9.47873 11.2452 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.04398 9.80191 4.38811 7.77845 9.89157 8.69934 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.22824 7.31419 5.73965 8.72056 11.5532 10.9715 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 8.94007 9.11046 6.91778 7.88785 4.30798 6.02355 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 8.05227 7.18765 7.56497 9.47487 4.40086 5.2908 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 8.05227 7.41091 5.66137 9.47487 4.40086 6.23998 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 5.67249 8.58958 10.3064 5.99388 4.21173 10.6156 numMergedOcc 0
14 mol 234 unq 1 iso 0 dist 5.67249 7.17987 6.50055 5.99388 4.21173 5.56749 numMergedOcc 0
15 mol 252 unq 0 iso 0 dist 9.01177 9.55574 11.6171 8.16932 7.31906 15.8546 numMergedOcc 0
16 mol 252 unq 1 iso 0 dist 9.01177 9.55574 11.6171 6.94065 12.2338 12.8051 numMergedOcc 0
17 mol 252 unq 2 iso 0 dist 9.15686 9.55574 11.2271 8.16932 13.4808 15.8546 numMergedOcc 0
18 mol 252 unq 3 iso 0 dist 9.15686 9.55574 11.2271 6.94065 4.38445 12.8051 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 5.03174 8.43682 5.21164 6.61098 5.71512 10.8409 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 5.03174 6.20796 6.12009 6.61098 5.71512 10.5617 numMergedOcc 0
21 mol 264 unq 2 iso 0 dist 7.22743 7.73693 6.12009 6.25794 5.71512 10.5617 numMergedOcc 0
22 mol 270 unq 0 iso 0 dist 4.60602 9.02113 5.00269 9.4555 12.734 17.5589 numMergedOcc 0
