0 mol 12 unq 0 iso 0 dist 5.25583 7.86307 7.03296 4.12573 6.6691 4.76018 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 5.25583 7.86307 7.03296 5.83262 9.23807 7.13046 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.37034 7.46478 13.9882 4.32784 11.1537 6.05495 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 6.60091 7.46478 10.1326 4.32784 10.2791 6.05495 numMergedOcc 0
4 mol 128 unq 0 iso 0 dist 8.81493 5.89919 5.53962 5.41268 9.05678 7.75012 numMergedOcc 0
5 mol 128 unq 1 iso 0 dist 8.81493 5.89919 5.53962 6.06511 8.73383 6.98158 numMergedOcc 0
6 mol 128 unq 2 iso 0 dist 6.49794 8.04178 5.53962 6.78058 9.05678 7.75012 numMergedOcc 0
7 mol 128 unq 3 iso 0 dist 6.49794 8.04178 5.53962 7.34304 8.73383 6.98158 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 6.25968 6.77398 11.0076 10.2038 13.0886 8.84087 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 6.25968 5.68207 5.54305 10.2038 13.0886 8.1856 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 7.94257 9.39237 5.03111 4.43511 6.47434 6.50043 numMergedOcc 0
11 mol 146 unq 1 iso 0 dist 7.94257 9.39237 5.03111 9.31627 10.8163 9.44952 numMergedOcc 0
12 mol 174 unq 0 iso 0 dist 8.36618 8.79469 5.2323 7.20832 7.54918 7.47932 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.28467 8.58887 5.2539 16.018 12.1032 8.90076 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 9.28467 8.58887 5.2539 14.4465 11.0357 6.62002 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 6.70738 5.75996 4.47004 8.9959 8.99609 8.08764 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 8.55314 7.44932 4.47004 12.8119 8.99609 8.08764 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 8.60091 8.08534 4.54892 4.35114 9.18477 6.66959 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.87436 9.28273 14.9677 6.33919 15.388 9.71152 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 7.27283 9.28273 8.46837 6.33919 7.53905 9.71152 numMergedOcc 0
20 mol 267 unq 0 iso 0 dist 5.96461 7.08658 4.62072 12.6602 10.7074 9.01354 numMergedOcc 0
21 mol 267 unq 1 iso 0 dist 9.70756 9.18446 11.1259 6.18902 14.9504 9.01354 numMergedOcc 0
22 mol 267 unq 2 iso 0 dist 7.21009 6.60591 4.62072 4.37995 10.7074 9.01354 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 9.79817 7.10608 13.5709 6.58462 14.6933 5.80452 numMergedOcc 0
24 mol 280 unq 1 iso 0 dist 9.79817 7.22993 8.62293 6.58462 14.6933 7.82157 numMergedOcc 0
25 mol 280 unq 2 iso 0 dist 9.79817 7.22993 8.62293 4.4018 10.1778 9.18069 numMergedOcc 0
26 mol 291 unq 0 iso 0 dist 9.44109 8.62881 9.03314 5.94973 12.3157 6.27039 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.44726 8.66938 16.4188 7.79184 17.1598 5.7131 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 8.17727 9.97399 13.074 6.25614 9.5144 5.7131 numMergedOcc 0
