0 mol 54 unq 0 iso 0 dist 8.24879 13.1869 9.06005 9.99486 4.07894 5.01162 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.51978 13.323 6.59893 16.1737 9.88291 5.01162 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 5.89394 5.73112 4.98104 9.79055 7.17015 6.78043 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 5.89394 5.73112 4.98104 9.28919 4.52119 5.74364 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.91446 11.6391 7.88564 14.1553 5.89399 6.97361 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.91446 8.46662 6.78459 14.1553 5.89399 8.52125 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 6.59361 6.82715 5.25492 11.9206 6.39786 6.70591 numMergedOcc 0
7 mol 110 unq 1 iso 0 dist 6.59361 6.82715 5.25492 11.699 8.50777 5.43052 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 9.41387 10.6263 7.70533 16.5857 10.0087 6.81489 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.59784 6.69727 9.42766 11.1967 8.8283 6.67306 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.07676 6.18164 6.00053 8.67838 4.11061 4.96259 numMergedOcc 0
11 mol 211 unq 0 iso 0 dist 9.82765 9.43858 8.63308 12.1348 3.99353 7.38723 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 6.82881 10.3239 4.58599 11.4116 4.67262 5.01229 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 7.13194 8.83643 9.31417 11.3226 4.7157 9.91921 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 7.13194 4.55701 5.56719 11.3226 4.7157 8.20243 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 7.80166 11.1397 9.31417 11.0982 4.7157 9.91921 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 7.80166 8.53461 5.56719 11.0982 4.7157 8.20243 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 9.47382 12.8835 7.93997 13.7729 5.41945 5.22111 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 9.47382 12.8835 7.93997 19.0128 10.2837 8.53598 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 5.81421 6.38433 8.1498 8.50624 7.602 8.03655 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 7.92491 5.9309 9.53225 5.33054 4.44211 7.90132 numMergedOcc 0
