0 mol 20 unq 0 iso 0 dist 9.35248 8.13992 9.55415 3.63394 8.38129 5.17224 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 9.55415 8.13992 9.35248 5.17224 8.38129 3.63394 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.85573 6.10468 6.21423 6.03997 7.49423 6.54853 numMergedOcc 0
3 mol 44 unq 0 iso 1 dist 6.21423 6.10468 7.85573 6.54853 7.49423 6.03997 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.87177 11.1443 6.70925 15.6688 6.8173 8.22845 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 6.70925 11.1443 9.87177 8.22845 6.8173 15.6688 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.87177 15.9639 8.95756 15.6688 6.8173 6.96897 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 8.95756 15.9639 9.87177 6.96897 6.8173 15.6688 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.70925 5.04503 8.95756 8.22845 6.8173 6.96897 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 8.95756 5.04503 6.70925 6.96897 6.8173 8.22845 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 9.78545 7.44316 9.97998 13.1304 8.14547 7.76917 numMergedOcc 0
11 mol 73 unq 2 iso 1 dist 9.97998 7.44316 9.78545 7.76917 8.14547 13.1304 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 8.95808 10.3407 8.48766 4.4399 7.88522 12.2267 numMergedOcc 0
13 mol 83 unq 0 iso 1 dist 8.48766 10.3407 8.95808 12.2267 7.88522 4.4399 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 9.93688 7.35589 9.88184 13.7708 9.22123 11.0283 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 9.88184 7.35589 9.93688 11.0283 9.22123 13.7708 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 9.93688 7.35589 9.88184 14.5838 7.36335 16.6198 numMergedOcc 0
17 mol 92 unq 1 iso 1 dist 9.88184 7.35589 9.93688 16.6198 7.36335 14.5838 numMergedOcc 0
18 mol 92 unq 2 iso 0 dist 6.78043 4.13723 5.74364 3.68302 7.80279 6.29901 numMergedOcc 0
19 mol 92 unq 2 iso 1 dist 5.74364 4.13723 6.78043 6.29901 7.80279 3.68302 numMergedOcc 0
20 mol 102 unq 0 iso 0 dist 8.07962 5.31804 7.58908 10.0473 9.61193 7.08749 numMergedOcc 0
21 mol 102 unq 0 iso 1 dist 7.58908 5.31804 8.07962 7.08749 9.61193 10.0473 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 5.82034 4.38675 6.56854 10.5092 8.62135 9.7319 numMergedOcc 0
23 mol 147 unq 0 iso 1 dist 6.56854 4.38675 5.82034 9.7319 8.62135 10.5092 numMergedOcc 0
24 mol 183 unq 0 iso 0 dist 9.92635 3.75614 7.85507 5.27311 8.58178 3.84394 numMergedOcc 0
25 mol 183 unq 0 iso 1 dist 7.85507 3.75614 9.92635 3.84394 8.58178 5.27311 numMergedOcc 0
26 mol 183 unq 1 iso 0 dist 9.92635 3.75614 7.85507 6.58331 4.77438 5.46887 numMergedOcc 0
27 mol 183 unq 1 iso 1 dist 7.85507 3.75614 9.92635 5.46887 4.77438 6.58331 numMergedOcc 0
28 mol 183 unq 2 iso 0 dist 9.92635 3.75614 7.85507 12.5326 5.73344 11.1336 numMergedOcc 0
29 mol 183 unq 2 iso 1 dist 7.85507 3.75614 9.92635 11.1336 5.73344 12.5326 numMergedOcc 0
30 mol 197 unq 0 iso 0 dist 5.79753 10.6986 7.56537 3.70636 7.06868 8.82321 numMergedOcc 0
31 mol 197 unq 0 iso 1 dist 7.56537 10.6986 5.79753 8.82321 7.06868 3.70636 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 7.0795 3.3846 9.76251 3.42123 8.13294 5.59654 numMergedOcc 0
33 mol 225 unq 0 iso 1 dist 9.76251 3.3846 7.0795 5.59654 8.13294 3.42123 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 7.97113 5.25523 8.38479 9.58753 8.75224 6.78897 numMergedOcc 0
35 mol 259 unq 0 iso 1 dist 8.38479 5.25523 7.97113 6.78897 8.75224 9.58753 numMergedOcc 0
36 mol 283 unq 0 iso 0 dist 8.80555 10.8201 8.80418 13.6006 8.91437 6.35533 numMergedOcc 0
37 mol 283 unq 0 iso 1 dist 8.80418 10.8201 8.80555 6.35533 8.91437 13.6006 numMergedOcc 0
