0 mol 24 unq 0 iso 0 dist 5.42968 9.67461 8.23075 5.94343 6.0925 4.7841 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.94343 9.67461 4.7841 5.42968 6.0925 8.23075 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 8.78269 4.65309 9.7073 10.4795 9.78508 9.59585 numMergedOcc 0
3 mol 113 unq 1 iso 0 dist 7.25771 13.2553 9.30832 13.8486 10.8127 7.02367 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.60192 5.0535 4.76974 12.3841 3.66281 8.0336 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 9.82655 6.47836 5.93278 10.4156 3.19822 6.19918 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.0889 5.61914 7.53694 8.34958 5.26524 8.38358 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 8.87379 10.3931 5.39356 13.7871 10.4915 9.92746 numMergedOcc 0
8 mol 184 unq 0 iso 0 dist 8.24035 4.59843 9.84566 8.77932 10.045 8.22001 numMergedOcc 0
9 mol 184 unq 1 iso 0 dist 8.77932 4.59843 8.22001 8.24035 10.045 9.84566 numMergedOcc 0
10 mol 198 unq 0 iso 0 dist 7.25217 7.74458 7.97894 10.6699 5.53445 6.77156 numMergedOcc 0
11 mol 198 unq 1 iso 0 dist 7.25217 7.74458 7.97894 9.84293 8.69074 8.08471 numMergedOcc 0
12 mol 198 unq 2 iso 0 dist 9.84293 7.74458 8.08471 10.6699 10.4205 6.77156 numMergedOcc 0
13 mol 198 unq 3 iso 0 dist 9.84293 7.74458 8.08471 7.25217 8.69074 7.97894 numMergedOcc 0
14 mol 198 unq 4 iso 0 dist 5.84588 5.21925 8.08471 9.41798 10.4205 6.77156 numMergedOcc 0
15 mol 198 unq 5 iso 0 dist 5.84588 5.21925 8.08471 10.6206 8.69074 7.97894 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.82533 12.8434 5.4557 17.2245 8.40845 7.12221 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 8.70774 9.57081 4.9764 12.0301 3.41319 6.36559 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 7.73997 12.7143 7.2091 11.2898 3.75238 5.69112 numMergedOcc 0
19 mol 281 unq 0 iso 0 dist 7.5689 12.4759 7.33334 11.1004 3.77058 5.50053 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 8.06614 5.0721 4.49592 10.3479 3.75963 6.69619 numMergedOcc 0
