0 mol 54 unq 0 iso 0 dist 5.7405 14.2744 9.17082 7.25076 5.27979 10.1434 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 9.95327 13.3028 9.93096 10.9175 6.76315 3.56023 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 7.50825 5.78969 9.93096 4.97794 6.76315 3.56023 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 5.79841 15.4219 9.66222 10.8177 8.04853 11.3242 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 5.79841 15.4219 9.66222 3.88626 6.46549 15.4245 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.66742 5.97684 5.50508 5.49646 8.4219 9.18008 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 5.76109 5.15472 8.74378 4.98735 5.56839 5.90646 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.0955 5.15472 8.89417 4.98735 7.83506 5.90646 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 8.0955 9.30737 9.95255 4.98735 7.83506 12.949 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 4.94406 11.3708 7.14031 11.2684 7.54574 10.256 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 7.2337 7.43547 7.14031 4.05759 7.54574 10.256 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 6.13508 5.01597 7.20249 8.99475 6.21165 5.77063 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 9.86237 4.68204 9.73158 5.98101 8.98175 9.06432 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 9.86237 9.09658 7.59327 5.98101 8.98175 11.2951 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 7.35385 7.20376 6.75376 4.20944 8.40695 5.59893 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 7.35385 7.20376 6.75376 6.685 9.35867 3.89483 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 8.35864 7.20376 9.10042 6.685 9.38036 3.89483 numMergedOcc 0
17 mol 141 unq 3 iso 0 dist 8.35864 10.1764 9.75059 6.685 9.38036 4.1436 numMergedOcc 0
18 mol 141 unq 4 iso 0 dist 8.35864 14.3045 6.83404 6.685 9.38036 12.6017 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 9.47404 8.3459 7.21349 5.55109 6.14222 5.7225 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 6.86251 11.1737 6.94789 13.1753 7.26232 3.66752 numMergedOcc 0
21 mol 237 unq 0 iso 0 dist 5.62039 8.50643 8.10254 6.41985 8.95332 5.18809 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 4.68783 4.30062 5.9627 10.5184 8.76518 11.2713 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 9.85331 4.76167 7.00243 8.68515 7.63543 4.72338 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 9.02661 14.7933 6.88827 9.90818 8.09181 8.87313 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 9.02661 7.09841 9.16942 9.90818 8.09181 6.97575 numMergedOcc 0
