0 mol 2 unq 0 iso 0 dist 5.69072 11.4347 9.39095 9.10202 4.00237 7.2721 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.53312 6.95803 8.76224 11.8984 11.7233 8.53424 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.53312 6.95803 8.76224 12.2067 13.0183 7.08766 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 6.53312 6.95803 8.76224 10.7835 10.9699 4.82199 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 5.9948 4.3475 8.76224 6.76158 11.7233 8.53424 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 5.9948 4.3475 8.76224 7.423 13.0183 7.08766 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 5.9948 4.3475 8.76224 5.89257 10.9699 4.82199 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 6.49446 5.4275 7.25138 6.0827 6.13411 4.46067 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 8.23695 13.2176 9.00612 10.3819 3.97053 7.23828 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 9.0101 6.27527 6.46582 8.26805 9.68005 7.66068 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 9.0101 6.27527 6.46582 9.68577 14.6547 9.5043 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 9.0101 6.27527 6.46582 11.3425 14.1202 8.34132 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 6.31509 5.90092 9.68556 5.91023 4.48773 6.5816 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 8.49806 5.90092 8.73928 5.91023 3.78499 6.5816 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 6.28645 6.39939 7.08403 9.12485 3.77247 7.02358 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 9.35529 5.37018 9.58434 7.64841 3.71884 9.31385 numMergedOcc 0
16 mol 120 unq 1 iso 0 dist 9.35529 5.79975 9.16089 8.31527 8.9188 7.84207 numMergedOcc 0
17 mol 120 unq 2 iso 0 dist 9.35529 5.79975 9.16089 7.64841 3.71884 6.98791 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 6.57161 6.55092 7.33643 9.31939 3.89732 6.96715 numMergedOcc 0
19 mol 176 unq 0 iso 0 dist 6.55106 5.25264 7.26558 6.32254 3.58164 6.85902 numMergedOcc 0
20 mol 176 unq 1 iso 0 dist 8.08891 3.97245 7.26558 8.89556 3.58164 6.85902 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 9.75853 4.32488 7.69952 7.82717 3.42324 4.87942 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 9.75853 4.32488 7.69952 8.19926 8.26669 7.25595 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 9.37765 3.98361 9.14525 9.64262 13.1776 7.25595 numMergedOcc 0
24 mol 186 unq 3 iso 0 dist 9.37765 3.98361 9.14525 11.6459 4.10348 9.94825 numMergedOcc 0
25 mol 230 unq 0 iso 0 dist 6.97966 6.74388 6.99256 12.764 6.2863 9.47092 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 8.15743 9.67326 9.67243 10.4181 9.5606 9.64861 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 9.6748 6.56644 6.46793 8.35328 3.79865 4.55853 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 4.76689 5.30931 7.88108 6.02628 3.43711 7.04263 numMergedOcc 0
29 mol 260 unq 1 iso 0 dist 4.76689 5.30931 7.88108 8.98856 8.84611 6.48099 numMergedOcc 0
30 mol 260 unq 2 iso 0 dist 4.76689 7.91474 9.46576 7.22473 3.48905 8.62655 numMergedOcc 0
31 mol 260 unq 3 iso 0 dist 8.79012 8.90225 7.88108 10.5948 3.43711 7.04263 numMergedOcc 0
32 mol 260 unq 4 iso 0 dist 8.79012 8.90225 7.88108 5.33278 8.84611 6.48099 numMergedOcc 0
33 mol 260 unq 5 iso 0 dist 8.79012 4.38276 9.46576 7.13397 3.48905 8.62655 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 9.477 4.58167 7.93375 6.9943 3.87565 6.96692 numMergedOcc 0
35 mol 266 unq 1 iso 0 dist 9.477 4.58167 7.93375 7.36685 9.25882 8.25286 numMergedOcc 0
36 mol 266 unq 2 iso 0 dist 9.477 4.58167 7.93375 9.03099 12.1357 9.9965 numMergedOcc 0
