0 mol 19 unq 0 iso 0 dist 7.1113 9.34692 8.19695 9.84767 3.73148 7.40236 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.50475 9.78889 7.34031 16.5407 11.6319 8.44353 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.50475 9.78889 7.34031 10.6828 5.39812 6.11249 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.50475 9.78889 7.34031 13.3984 8.55482 7.86326 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 8.50475 9.78889 7.34031 9.55284 3.50984 4.74786 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 7.66163 5.52962 7.34031 11.9578 11.6319 8.44353 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 7.66163 5.52962 7.34031 7.33788 5.39812 6.11249 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 7.66163 5.52962 7.34031 9.51079 8.55482 7.86326 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 7.66163 5.52962 7.34031 7.36877 3.50984 4.74786 numMergedOcc 0
9 mol 48 unq 8 iso 0 dist 9.48288 10.1477 7.34031 13.8065 11.6319 8.44353 numMergedOcc 0
10 mol 48 unq 9 iso 0 dist 9.48288 10.1477 7.34031 8.52681 5.39812 6.11249 numMergedOcc 0
11 mol 48 unq 10 iso 0 dist 9.48288 10.1477 7.34031 10.084 8.55482 7.86326 numMergedOcc 0
12 mol 48 unq 11 iso 0 dist 9.48288 10.1477 7.34031 10.9073 3.50984 4.74786 numMergedOcc 0
13 mol 48 unq 12 iso 0 dist 7.1796 5.20585 7.281 6.89752 3.65036 4.53565 numMergedOcc 0
14 mol 48 unq 13 iso 0 dist 7.1796 5.20585 7.281 11.7175 11.611 8.53722 numMergedOcc 0
15 mol 48 unq 14 iso 0 dist 7.1796 5.20585 7.281 6.85843 5.37655 6.15814 numMergedOcc 0
16 mol 48 unq 15 iso 0 dist 7.1796 5.20585 7.281 9.03709 8.48119 7.70284 numMergedOcc 0
17 mol 48 unq 16 iso 0 dist 9.16212 9.98618 7.281 10.6705 3.65036 4.53565 numMergedOcc 0
18 mol 48 unq 17 iso 0 dist 9.16212 9.98618 7.281 13.4464 11.611 8.53722 numMergedOcc 0
19 mol 48 unq 18 iso 0 dist 9.16212 9.98618 7.281 7.94814 5.37655 6.15814 numMergedOcc 0
20 mol 48 unq 19 iso 0 dist 9.16212 9.98618 7.281 9.55632 8.48119 7.70284 numMergedOcc 0
21 mol 79 unq 0 iso 0 dist 9.76351 14.7309 9.63599 15.37 5.84075 9.11491 numMergedOcc 0
22 mol 79 unq 1 iso 0 dist 9.76351 11.7335 8.01743 12.9584 5.41884 7.15907 numMergedOcc 0
23 mol 114 unq 0 iso 0 dist 8.55826 13.7458 6.13559 9.35759 3.67473 8.61909 numMergedOcc 0
24 mol 130 unq 0 iso 0 dist 7.7461 8.88349 6.90634 9.58166 3.90693 7.92317 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 8.81111 15.0866 7.31037 11.44 3.80763 6.50336 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 7.08557 10.2555 7.05653 10.6352 3.63671 6.91878 numMergedOcc 0
27 mol 214 unq 0 iso 0 dist 5.82124 10.1922 7.69296 11.8306 6.28944 8.3107 numMergedOcc 0
28 mol 214 unq 1 iso 0 dist 8.31236 11.0815 7.69296 12.2241 6.28944 8.3107 numMergedOcc 0
29 mol 237 unq 0 iso 0 dist 9.46558 4.83701 5.98039 12.6912 4.50383 8.33629 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.49129 5.05275 8.90076 13.7606 13.8952 8.71877 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 6.80544 5.05275 6.62002 13.7606 12.856 8.71877 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 8.87182 4.81796 7.02079 9.58325 5.88357 8.08777 numMergedOcc 0
33 mol 239 unq 1 iso 0 dist 8.99609 4.47004 8.08764 4.37138 7.18773 5.50017 numMergedOcc 0
34 mol 239 unq 2 iso 0 dist 8.99609 7.14566 9.01462 4.37138 7.18773 9.99181 numMergedOcc 0
35 mol 239 unq 3 iso 0 dist 5.95622 4.81796 5.88802 9.58325 9.24057 8.08777 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 9.68583 9.72334 5.40318 10.5956 6.31696 5.94614 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 9.5144 13.074 5.7131 12.1831 4.30125 3.93401 numMergedOcc 0
