0 mol 26 unq 0 iso 0 dist 9.37435 8.97566 4.79817 8.81085 5.2495 9.30148 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 9.37435 8.81085 5.2495 8.97566 4.79817 9.30148 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 7.30651 8.7531 10.1267 7.25138 5.98227 14.2375 numMergedOcc 0
3 mol 62 unq 0 iso 1 dist 7.30651 7.25138 5.98227 8.7531 10.1267 14.2375 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 7.32064 8.48827 6.99884 7.14048 3.75261 3.24688 numMergedOcc 0
5 mol 78 unq 0 iso 1 dist 7.32064 7.14048 3.75261 8.48827 6.99884 3.24688 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 4.62314 8.03895 6.99884 5.68873 3.75261 3.24688 numMergedOcc 0
7 mol 78 unq 1 iso 1 dist 4.62314 5.68873 3.75261 8.03895 6.99884 3.24688 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 5.24136 8.48827 7.80916 7.14048 5.07608 3.24688 numMergedOcc 0
9 mol 78 unq 2 iso 1 dist 5.24136 7.14048 5.07608 8.48827 7.80916 3.24688 numMergedOcc 0
10 mol 78 unq 3 iso 0 dist 4.41745 8.03895 7.80916 5.68873 5.07608 3.24688 numMergedOcc 0
11 mol 78 unq 3 iso 1 dist 4.41745 5.68873 5.07608 8.03895 7.80916 3.24688 numMergedOcc 0
12 mol 78 unq 4 iso 0 dist 6.44687 8.48827 12.6024 7.14048 11.1395 3.24688 numMergedOcc 0
13 mol 78 unq 4 iso 1 dist 6.44687 7.14048 11.1395 8.48827 12.6024 3.24688 numMergedOcc 0
14 mol 78 unq 5 iso 0 dist 5.85007 8.48827 4.75637 7.14048 5.62063 3.24688 numMergedOcc 0
15 mol 78 unq 5 iso 1 dist 5.85007 7.14048 5.62063 8.48827 4.75637 3.24688 numMergedOcc 0
16 mol 78 unq 6 iso 0 dist 6.35234 8.03895 4.75637 5.68873 5.62063 3.24688 numMergedOcc 0
17 mol 78 unq 6 iso 1 dist 6.35234 5.68873 5.62063 8.03895 4.75637 3.24688 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 6.53559 7.04904 12.7725 5.06053 10.2785 3.11116 numMergedOcc 0
19 mol 129 unq 0 iso 1 dist 6.53559 5.06053 10.2785 7.04904 12.7725 3.11116 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 7.90844 7.04904 9.39617 5.06053 6.48525 3.11116 numMergedOcc 0
21 mol 129 unq 1 iso 1 dist 7.90844 5.06053 6.48525 7.04904 9.39617 3.11116 numMergedOcc 0
22 mol 168 unq 0 iso 0 dist 9.23064 8.97414 6.06538 8.00063 13.0096 8.38976 numMergedOcc 0
23 mol 168 unq 0 iso 1 dist 9.23064 8.00063 13.0096 8.97414 6.06538 8.38976 numMergedOcc 0
24 mol 168 unq 1 iso 0 dist 7.30338 8.97414 9.99868 8.00063 3.5168 8.38976 numMergedOcc 0
25 mol 168 unq 1 iso 1 dist 7.30338 8.00063 3.5168 8.97414 9.99868 8.38976 numMergedOcc 0
26 mol 169 unq 0 iso 0 dist 6.00783 7.50458 9.60496 5.79554 10.5251 5.23644 numMergedOcc 0
27 mol 169 unq 0 iso 1 dist 6.00783 5.79554 10.5251 7.50458 9.60496 5.23644 numMergedOcc 0
28 mol 169 unq 1 iso 0 dist 6.00783 7.50458 9.60496 4.22003 8.67112 7.52063 numMergedOcc 0
29 mol 169 unq 1 iso 1 dist 6.00783 4.22003 8.67112 7.50458 9.60496 7.52063 numMergedOcc 0
30 mol 169 unq 1 iso 0 dist 6.00783 5.79554 10.5251 4.22003 8.67112 3.74306 numMergedOcc 0
31 mol 169 unq 1 iso 1 dist 6.00783 4.22003 8.67112 5.79554 10.5251 3.74306 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 9.18289 6.99587 4.97041 4.37577 6.50779 3.09727 numMergedOcc 0
33 mol 186 unq 0 iso 1 dist 9.18289 4.37577 6.50779 6.99587 4.97041 3.09727 numMergedOcc 0
34 mol 186 unq 1 iso 0 dist 6.52441 6.99587 4.75583 4.37577 3.11607 3.09727 numMergedOcc 0
35 mol 186 unq 1 iso 1 dist 6.52441 4.37577 3.11607 6.99587 4.75583 3.09727 numMergedOcc 0
36 mol 186 unq 2 iso 0 dist 6.26168 6.99587 5.53349 4.37577 4.65666 3.09727 numMergedOcc 0
37 mol 186 unq 2 iso 1 dist 6.26168 4.37577 4.65666 6.99587 5.53349 3.09727 numMergedOcc 0
38 mol 192 unq 0 iso 0 dist 7.93715 5.05414 3.41605 7.16964 7.59825 4.98308 numMergedOcc 0
39 mol 192 unq 0 iso 1 dist 7.93715 7.16964 7.59825 5.05414 3.41605 4.98308 numMergedOcc 0
40 mol 232 unq 0 iso 0 dist 9.85909 8.00949 10.4613 8.19257 10.9338 13.0962 numMergedOcc 0
41 mol 232 unq 0 iso 1 dist 9.85909 8.19257 10.9338 8.00949 10.4613 13.0962 numMergedOcc 0
42 mol 244 unq 0 iso 0 dist 9.11416 5.16859 12.3227 4.79207 7.21693 5.86449 numMergedOcc 0
43 mol 244 unq 0 iso 1 dist 9.11416 4.79207 7.21693 5.16859 12.3227 5.86449 numMergedOcc 0
44 mol 283 unq 0 iso 0 dist 8.4275 9.35302 13.7144 8.85163 3.12129 13.4236 numMergedOcc 0
45 mol 283 unq 0 iso 1 dist 8.4275 8.85163 3.12129 9.35302 13.7144 13.4236 numMergedOcc 0
