0 mol 48 unq 0 iso 0 dist 6.04551 8.69374 7.92359 13.0891 9.07969 16.0384 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.04551 8.69374 7.92359 14.1866 9.61448 17.0114 numMergedOcc 0
2 mol 66 unq 0 iso 0 dist 8.95789 9.28525 6.86331 9.62896 9.00438 14.6842 numMergedOcc 0
3 mol 66 unq 1 iso 0 dist 8.95789 8.55807 9.37607 9.62896 9.00438 15.8791 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 7.09393 9.24557 11.5139 11.6088 9.13371 16.157 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 3.87167 9.24557 8.73219 11.6088 9.43916 16.157 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 5.78962 9.00799 7.15588 5.09341 7.77953 5.97918 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 5.78962 6.29207 8.74291 5.09341 7.77953 11.042 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 9.71692 8.21863 7.81081 8.01366 8.3656 12.6835 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 9.73708 8.16324 7.57411 8.04136 8.44633 12.5602 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 8.954 9.98649 10.8238 8.39434 9.95076 17.1387 numMergedOcc 0
11 mol 162 unq 1 iso 0 dist 8.954 9.98649 10.8238 4.92282 7.76112 13.4244 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 9.45847 5.67457 12.5274 16.6018 9.16535 19.9029 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 4.58291 9.44266 6.86808 6.35535 9.12973 15.3974 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 7.57712 6.57898 5.80442 7.47274 7.27248 11.1283 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 7.20255 6.57898 6.80972 7.47274 9.50216 11.1283 numMergedOcc 0
16 mol 220 unq 2 iso 0 dist 8.98362 9.1318 10.8062 4.606 9.21416 13.1412 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 6.03408 9.0935 12.0768 11.7563 8.85178 17.2901 numMergedOcc 0
18 mol 223 unq 1 iso 0 dist 6.03408 9.0935 12.0768 8.87398 9.73123 17.9317 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 8.34832 7.55125 15.3356 3.28983 6.64008 9.24224 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 7.88405 9.83528 10.9468 5.28913 9.60873 8.79936 numMergedOcc 0
