0 mol 20 unq 0 iso 0 dist 9.25342 9.44151 10.7399 7.5037 14.4004 7.11633 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 5.9581 3.68549 5.39896 6.21952 11.6463 6.88974 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 5.9581 3.68549 5.39896 5.06613 7.2159 5.5814 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.57204 8.90024 17.7655 14.9559 24.4736 8.38387 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 8.86576 7.96299 11.6072 4.5896 12.4356 7.75811 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.79798 9.96446 16.134 5.27016 13.5703 8.4545 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.79798 6.70686 13.618 5.27016 13.5703 7.01176 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.35267 9.26438 11.8891 9.97562 16.5603 8.3164 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 9.47548 8.60857 9.60374 6.89612 13.5908 8.181 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.34402 8.66715 6.80292 13.3005 15.3661 9.50322 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.34402 9.00172 11.8155 13.3005 15.3661 5.82404 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 8.07957 8.95433 6.80292 15.4773 15.3661 9.50322 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.21359 6.0639 5.85613 4.40927 9.86348 7.80299 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 9.39921 4.78641 12.0021 8.94388 17.8868 7.63036 numMergedOcc 0
14 mol 195 unq 1 iso 0 dist 7.66181 4.78641 7.95188 8.94388 15.1757 7.63036 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 9.64653 9.7541 4.6678 4.44269 5.79753 5.41292 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 9.37896 7.8128 5.47633 12.3178 14.4541 9.11256 numMergedOcc 0
17 mol 235 unq 1 iso 0 dist 9.37896 7.8128 5.47633 4.27313 6.44932 7.08539 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 9.86445 5.77925 10.054 8.55909 16.9859 8.90987 numMergedOcc 0
19 mol 237 unq 0 iso 0 dist 9.02234 9.59483 6.86772 13.1097 14.0223 8.56463 numMergedOcc 0
20 mol 237 unq 1 iso 0 dist 9.02234 9.59483 6.86772 18.3553 11.9419 9.42743 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 9.04513 8.49415 13.1882 8.73438 12.8079 9.772 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 9.91042 7.77765 12.9029 6.22911 15.9204 7.98617 numMergedOcc 0
