0 mol 7 unq 0 iso 0 dist 8.57437 10.0257 9.67498 9.33944 9.32945 17.0748 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.57437 9.33944 9.32945 10.0257 9.67498 17.0748 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.99404 7.76098 9.1686 8.20812 8.99402 10.3489 numMergedOcc 0
3 mol 10 unq 0 iso 1 dist 7.99404 8.20812 8.99402 7.76098 9.1686 10.3489 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 7.99404 7.76098 9.1686 9.87224 7.3489 10.9317 numMergedOcc 0
5 mol 10 unq 1 iso 1 dist 7.99404 9.87224 7.3489 7.76098 9.1686 10.9317 numMergedOcc 0
6 mol 10 unq 1 iso 0 dist 7.99404 8.20812 8.99402 9.87224 7.3489 15.2253 numMergedOcc 0
7 mol 10 unq 1 iso 1 dist 7.99404 9.87224 7.3489 8.20812 8.99402 15.2253 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 8.43093 8.44581 8.39046 5.52734 8.76689 11.994 numMergedOcc 0
9 mol 86 unq 0 iso 1 dist 8.43093 5.52734 8.76689 8.44581 8.39046 11.994 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.52125 5.60763 7.11187 13.5152 6.60356 9.81157 numMergedOcc 0
11 mol 100 unq 0 iso 1 dist 8.52125 13.5152 6.60356 5.60763 7.11187 9.81157 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 6.85651 8.75242 9.07294 14.0828 7.50126 12.1681 numMergedOcc 0
13 mol 133 unq 0 iso 1 dist 6.85651 14.0828 7.50126 8.75242 9.07294 12.1681 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 7.03858 6.45333 9.07294 11.5586 7.50126 12.1681 numMergedOcc 0
15 mol 133 unq 1 iso 1 dist 7.03858 11.5586 7.50126 6.45333 9.07294 12.1681 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 5.68599 5.57746 5.12189 5.8422 7.50911 10.5053 numMergedOcc 0
17 mol 133 unq 2 iso 1 dist 5.68599 5.8422 7.50911 5.57746 5.12189 10.5053 numMergedOcc 0
18 mol 183 unq 0 iso 0 dist 9.92635 13.34 6.21267 13.9426 7.41743 7.42362 numMergedOcc 0
19 mol 183 unq 0 iso 1 dist 9.92635 13.9426 7.41743 13.34 6.21267 7.42362 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 7.85507 9.98606 6.21267 11.9935 7.41743 7.42362 numMergedOcc 0
21 mol 183 unq 1 iso 1 dist 7.85507 11.9935 7.41743 9.98606 6.21267 7.42362 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 8.56656 12.3775 9.68829 4.13623 7.75205 9.49253 numMergedOcc 0
23 mol 205 unq 0 iso 1 dist 8.56656 4.13623 7.75205 12.3775 9.68829 9.49253 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 6.2441 7.15853 4.61671 5.7173 8.44004 6.98423 numMergedOcc 0
25 mol 218 unq 0 iso 1 dist 6.2441 5.7173 8.44004 7.15853 4.61671 6.98423 numMergedOcc 0
26 mol 219 unq 0 iso 0 dist 9.52151 7.00921 4.67452 10.3376 9.86916 8.93116 numMergedOcc 0
27 mol 219 unq 0 iso 1 dist 9.52151 10.3376 9.86916 7.00921 4.67452 8.93116 numMergedOcc 0
28 mol 245 unq 0 iso 0 dist 8.91609 6.62389 6.41862 5.74952 9.85927 9.57831 numMergedOcc 0
29 mol 245 unq 0 iso 1 dist 8.91609 5.74952 9.85927 6.62389 6.41862 9.57831 numMergedOcc 0
30 mol 245 unq 1 iso 0 dist 6.58637 5.43086 6.41862 8.73552 9.85927 9.57831 numMergedOcc 0
31 mol 245 unq 1 iso 1 dist 6.58637 8.73552 9.85927 5.43086 6.41862 9.57831 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 5.98006 7.78289 8.73077 5.73217 6.76656 5.25969 numMergedOcc 0
33 mol 259 unq 0 iso 1 dist 5.98006 5.73217 6.76656 7.78289 8.73077 5.25969 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 5.22111 9.98638 9.45077 6.92619 4.55368 6.17736 numMergedOcc 0
35 mol 259 unq 1 iso 1 dist 5.22111 6.92619 4.55368 9.98638 9.45077 6.17736 numMergedOcc 0
36 mol 259 unq 2 iso 0 dist 8.53598 12.9823 9.45077 11.3266 4.55368 6.17736 numMergedOcc 0
37 mol 259 unq 2 iso 1 dist 8.53598 11.3266 4.55368 12.9823 9.45077 6.17736 numMergedOcc 0
38 mol 265 unq 0 iso 0 dist 8.22353 8.39994 9.56472 5.62902 9.50814 12.462 numMergedOcc 0
39 mol 265 unq 0 iso 1 dist 8.22353 5.62902 9.50814 8.39994 9.56472 12.462 numMergedOcc 0
40 mol 280 unq 0 iso 0 dist 7.10723 9.13465 7.02503 14.2183 9.18164 6.56107 numMergedOcc 0
41 mol 280 unq 0 iso 1 dist 7.10723 14.2183 9.18164 9.13465 7.02503 6.56107 numMergedOcc 0
42 mol 280 unq 1 iso 0 dist 6.8664 7.59724 7.02503 7.88431 9.18164 6.56107 numMergedOcc 0
43 mol 280 unq 1 iso 1 dist 6.8664 7.88431 9.18164 7.59724 7.02503 6.56107 numMergedOcc 0
44 mol 294 unq 0 iso 0 dist 8.82869 4.75799 5.76337 11.9879 8.60441 9.4329 numMergedOcc 0
45 mol 294 unq 0 iso 1 dist 8.82869 11.9879 8.60441 4.75799 5.76337 9.4329 numMergedOcc 0
