0 mol 25 unq 0 iso 0 dist 8.66616 9.83216 8.23292 10.0876 5.33732 6.6492 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 6.56791 5.45587 7.57586 9.46333 7.40179 7.57959 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 6.56791 5.45587 7.57586 11.1681 8.4072 7.05737 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.28075 5.63684 6.46655 11.8028 9.70283 8.64015 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 6.88956 5.88774 7.55805 9.91471 8.4354 9.44561 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 8.55572 9.70366 7.23052 16.5462 10.0311 8.58188 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 9.24204 7.45628 7.97208 12.9034 11.5403 5.53031 numMergedOcc 0
7 mol 140 unq 0 iso 0 dist 7.01323 9.80923 8.36882 10.4921 8.92003 5.39064 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 8.42226 9.40374 7.45401 14.854 8.19136 7.20574 numMergedOcc 0
9 mol 189 unq 0 iso 0 dist 8.01521 5.56399 8.57361 9.5853 8.53414 8.56355 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 7.55389 10.1816 7.7292 16.3416 12.0796 6.85441 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 5.60195 12.0174 8.9077 8.84133 5.41948 5.45036 numMergedOcc 0
12 mol 220 unq 1 iso 0 dist 5.60195 12.0174 8.9077 20 15.1445 9.97586 numMergedOcc 0
13 mol 220 unq 2 iso 0 dist 7.87359 9.89208 8.9077 8.81001 5.41948 5.45036 numMergedOcc 0
14 mol 220 unq 3 iso 0 dist 7.87359 9.89208 8.9077 19.3513 15.1445 9.97586 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 5.99687 10.7618 9.92027 7.09453 5.77507 8.19603 numMergedOcc 0
16 mol 229 unq 1 iso 0 dist 7.10623 5.93705 9.92027 8.69109 5.77507 8.19603 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 9.53198 5.69797 7.93727 11.244 3.94313 7.75722 numMergedOcc 0
18 mol 240 unq 0 iso 0 dist 7.84314 12.2549 6.83069 10.9447 8.30926 9.47583 numMergedOcc 0
19 mol 240 unq 1 iso 0 dist 7.84314 12.5785 9.30995 10.9447 8.30926 8.44909 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 6.93654 6.39263 8.50313 5.67349 11.2562 8.60026 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 9.66298 6.39263 7.6414 5.67349 13.4429 8.60026 numMergedOcc 0
