0 mol 43 unq 0 iso 0 dist 8.06275 15.4384 8.90024 5.33298 8.95682 13.2914 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.90024 15.4384 8.06275 13.2914 8.95682 5.33298 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.8079 16.7019 8.3558 13.832 6.95572 10.2731 numMergedOcc 0
3 mol 92 unq 0 iso 1 dist 8.3558 16.7019 9.8079 10.2731 6.95572 13.832 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.8079 16.7019 8.3558 15.33 7.38677 4.66752 numMergedOcc 0
5 mol 92 unq 1 iso 1 dist 8.3558 16.7019 9.8079 4.66752 7.38677 15.33 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.83528 6.49254 7.54969 15.5475 6.65501 13.2316 numMergedOcc 0
7 mol 98 unq 0 iso 1 dist 7.54969 6.49254 9.83528 13.2316 6.65501 15.5475 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.26438 10.3911 6.43255 5.26309 7.80523 11.4333 numMergedOcc 0
9 mol 109 unq 0 iso 1 dist 6.43255 10.3911 9.26438 11.4333 7.80523 5.26309 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 9.26438 15.5356 7.4389 5.26309 7.80523 14.0908 numMergedOcc 0
11 mol 109 unq 1 iso 1 dist 7.4389 15.5356 9.26438 14.0908 7.80523 5.26309 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 6.43255 7.25431 7.4389 11.4333 7.80523 14.0908 numMergedOcc 0
13 mol 109 unq 1 iso 1 dist 7.4389 7.25431 6.43255 14.0908 7.80523 11.4333 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 9.50575 10.8923 8.43116 13.4067 6.92026 5.19545 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 8.43116 10.8923 9.50575 5.19545 6.92026 13.4067 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.66715 15.1512 8.95433 5.05981 9.22232 13.7968 numMergedOcc 0
17 mol 133 unq 0 iso 1 dist 8.95433 15.1512 8.66715 13.7968 9.22232 5.05981 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 8.66715 15.1512 8.95433 17.5205 9.22661 12.0166 numMergedOcc 0
19 mol 133 unq 1 iso 1 dist 8.95433 15.1512 8.66715 12.0166 9.22661 17.5205 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 8.66715 15.1512 8.95433 15.4908 7.56378 5.14992 numMergedOcc 0
21 mol 133 unq 2 iso 1 dist 8.95433 15.1512 8.66715 5.14992 7.56378 15.4908 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 4.9155 7.36102 8.49987 6.64576 7.80532 5.54455 numMergedOcc 0
23 mol 134 unq 0 iso 1 dist 8.49987 7.36102 4.9155 5.54455 7.80532 6.64576 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 4.9155 11.0847 9.42271 6.64576 7.80532 5.87436 numMergedOcc 0
25 mol 134 unq 1 iso 1 dist 9.42271 11.0847 4.9155 5.87436 7.80532 6.64576 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 8.49987 8.91755 9.42271 5.54455 7.80532 5.87436 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 9.42271 8.91755 8.49987 5.87436 7.80532 5.54455 numMergedOcc 0
28 mol 195 unq 0 iso 0 dist 7.39185 5.56507 4.78641 6.35777 7.36683 6.31156 numMergedOcc 0
29 mol 195 unq 0 iso 1 dist 4.78641 5.56507 7.39185 6.31156 7.36683 6.35777 numMergedOcc 0
30 mol 195 unq 1 iso 0 dist 7.39185 5.56507 4.78641 8.75868 6.95086 10.4127 numMergedOcc 0
31 mol 195 unq 1 iso 1 dist 4.78641 5.56507 7.39185 10.4127 6.95086 8.75868 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 8.57514 4.88176 6.11505 7.35197 4.8668 5.68053 numMergedOcc 0
33 mol 205 unq 0 iso 1 dist 6.11505 4.88176 8.57514 5.68053 4.8668 7.35197 numMergedOcc 0
34 mol 229 unq 0 iso 0 dist 6.32302 9.90084 8.53615 6.7597 8.66332 5.3298 numMergedOcc 0
35 mol 229 unq 0 iso 1 dist 8.53615 9.90084 6.32302 5.3298 8.66332 6.7597 numMergedOcc 0
36 mol 235 unq 0 iso 0 dist 5.60236 9.1359 9.03917 5.86896 6.36341 4.88651 numMergedOcc 0
37 mol 235 unq 0 iso 1 dist 9.03917 9.1359 5.60236 4.88651 6.36341 5.86896 numMergedOcc 0
38 mol 237 unq 0 iso 0 dist 9.59483 17.7416 8.42717 14.3756 6.99315 8.63433 numMergedOcc 0
39 mol 237 unq 0 iso 1 dist 8.42717 17.7416 9.59483 8.63433 6.99315 14.3756 numMergedOcc 0
40 mol 241 unq 0 iso 0 dist 8.23536 9.1453 6.90245 4.45211 7.89524 5.69979 numMergedOcc 0
41 mol 241 unq 0 iso 1 dist 6.90245 9.1453 8.23536 5.69979 7.89524 4.45211 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 7.37999 7.19064 7.36703 10.9458 7.16853 6.24807 numMergedOcc 0
43 mol 264 unq 0 iso 1 dist 7.36703 7.19064 7.37999 6.24807 7.16853 10.9458 numMergedOcc 0
