0 mol 28 unq 0 iso 0 dist 8.24316 9.77719 11.0435 4.3475 7.7871 9.2146 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 7.81025 8.76815 8.41932 11.2448 15.3051 8.19932 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 6.2972 7.11218 3.83791 4.63088 9.50458 9.14801 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 8.60438 7.15918 6.55381 4.3421 8.63446 7.62463 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 5.22576 9.27894 5.09341 10.358 8.91998 7.71625 numMergedOcc 0
5 mol 168 unq 0 iso 0 dist 8.66519 8.65328 17.2974 4.18108 11.4113 7.0961 numMergedOcc 0
6 mol 168 unq 1 iso 0 dist 8.66519 8.65328 17.2974 3.6038 10.2021 8.26768 numMergedOcc 0
7 mol 168 unq 2 iso 0 dist 8.66519 5.69346 7.95609 4.18108 11.4113 6.53038 numMergedOcc 0
8 mol 168 unq 3 iso 0 dist 8.35731 8.55388 7.95609 8.29185 11.4113 6.53038 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 6.73513 6.3407 6.31671 12.1876 8.83628 7.68686 numMergedOcc 0
10 mol 260 unq 0 iso 0 dist 5.16772 7.97307 11.432 8.90225 13.0633 8.51564 numMergedOcc 0
11 mol 260 unq 1 iso 0 dist 5.16772 8.52702 4.35925 4.38276 6.90472 9.73217 numMergedOcc 0
12 mol 266 unq 0 iso 0 dist 9.51286 6.61768 7.90149 7.98379 14.5631 7.72861 numMergedOcc 0
13 mol 266 unq 1 iso 0 dist 9.51286 6.61768 7.90149 4.58167 6.48382 8.20376 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 9.60879 8.20902 5.38166 9.69757 10.4606 5.13533 numMergedOcc 0
15 mol 277 unq 1 iso 0 dist 6.92271 8.20902 6.65084 9.69757 4.1545 5.13533 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 6.08524 6.66483 6.30689 8.07304 12.4702 7.90632 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 8.9885 5.52111 6.30689 7.39007 12.4702 7.90632 numMergedOcc 0
