0 mol 36 unq 0 iso 0 dist 7.11464 6.1084 8.96522 6.6055 3.58776 10.5994 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 6.19084 9.72136 5.8481 9.942 6.67753 3.7765 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 6.19084 9.72136 5.8481 5.92771 8.49258 13.4768 numMergedOcc 0
3 mol 46 unq 2 iso 0 dist 6.19084 4.61355 4.07933 9.942 6.67753 9.44812 numMergedOcc 0
4 mol 46 unq 3 iso 0 dist 6.19084 4.61355 4.07933 5.92771 8.49258 6.08836 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 5.44722 5.92285 5.50712 6.42645 5.85606 5.98227 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 5.44722 8.38687 3.94504 6.42645 5.85606 5.87787 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 9.61913 9.43076 5.32166 7.85115 16.6049 14.3087 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 5.98187 8.36221 7.17096 8.09329 7.6938 11.5607 numMergedOcc 0
9 mol 123 unq 1 iso 0 dist 5.98187 8.36221 7.17096 5.80266 3.99394 3.3389 numMergedOcc 0
10 mol 123 unq 2 iso 0 dist 7.42186 8.6441 7.17096 5.18305 10.0612 8.42496 numMergedOcc 0
11 mol 123 unq 3 iso 0 dist 7.42186 8.6441 7.17096 6.13025 7.6938 11.5607 numMergedOcc 0
12 mol 123 unq 4 iso 0 dist 7.42186 8.6441 7.17096 6.78431 3.99394 3.3389 numMergedOcc 0
13 mol 123 unq 5 iso 0 dist 9.47346 6.70684 7.17096 6.60464 3.99394 3.3389 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 9.92375 9.8506 5.62734 7.91749 11.5773 13.5156 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 9.58371 6.22696 8.68377 4.80508 11.8112 5.09517 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 9.58371 6.22696 8.68377 4.88625 10.454 6.2149 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 7.93807 5.57495 5.43662 8.87575 14.2454 9.5716 numMergedOcc 0
18 mol 167 unq 1 iso 0 dist 7.93807 9.38297 5.95858 8.87575 14.2454 15.8939 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 5.92785 8.32647 7.81466 6.03505 6.04545 11.1533 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 5.92785 8.32647 7.81466 6.30144 4.12242 3.74437 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 8.07237 8.9694 3.91276 6.03628 4.05067 5.22858 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 8.95218 8.02723 3.91276 9.22105 10.6198 9.08285 numMergedOcc 0
23 mol 237 unq 0 iso 0 dist 6.78301 6.16312 4.08768 5.27463 4.50383 5.88058 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 8.03226 9.97859 13.8857 9.59909 3.63257 14.95 numMergedOcc 0
25 mol 284 unq 0 iso 0 dist 5.61727 6.52085 5.54042 4.69611 3.57807 6.53775 numMergedOcc 0
26 mol 284 unq 1 iso 0 dist 5.61727 9.84174 14.3479 4.69611 3.57807 13.4014 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 9.52718 7.74312 5.97664 8.08382 5.39801 3.66473 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 9.52718 7.74312 5.97664 8.08382 5.39801 3.66473 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 9.52718 7.74312 5.97664 8.08382 5.39801 3.66473 numMergedOcc 0
