0 mol 11 unq 0 iso 0 dist 5.47299 12.6523 9.81983 6.56599 3.66215 9.09091 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 6.64199 13.5569 8.26398 13.7178 9.59996 9.877 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 8.90155 13.9821 8.26398 17.9291 9.59996 9.877 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.70325 5.60332 9.82851 7.24149 12.6238 7.22361 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.70325 5.60332 9.82851 8.63881 7.97596 6.15893 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 6.70325 7.30207 9.11311 8.63881 7.97596 5.497 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 6.89752 8.31475 8.56365 10.4168 12.2529 8.58829 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 6.85843 8.31475 8.74151 10.4168 7.83821 8.58829 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 7.94814 12.4972 8.74151 10.3969 7.83821 8.58829 numMergedOcc 0
9 mol 48 unq 3 iso 0 dist 9.55632 12.4972 8.69662 10.3969 5.51708 8.58829 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 9.33736 4.92118 6.41008 11.8194 10.5052 7.6481 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 9.33736 4.92118 6.41008 9.9648 4.43437 9.11258 numMergedOcc 0
12 mol 62 unq 0 iso 0 dist 8.96898 8.90117 8.21895 11.8253 5.27573 6.04903 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 6.64921 8.32896 6.72546 10.0611 4.35906 7.87237 numMergedOcc 0
14 mol 87 unq 0 iso 0 dist 9.20673 4.99645 9.41934 9.53368 8.53566 7.2268 numMergedOcc 0
15 mol 87 unq 1 iso 0 dist 9.20673 4.99645 9.41934 6.54532 3.63275 8.31175 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 9.0807 8.49357 5.51053 10.9536 3.56771 9.07734 numMergedOcc 0
17 mol 103 unq 1 iso 0 dist 9.70231 6.06934 5.51053 12.8304 3.56771 9.07734 numMergedOcc 0
18 mol 135 unq 0 iso 0 dist 8.18584 9.25955 7.02963 17.2976 12.1938 9.15377 numMergedOcc 0
19 mol 135 unq 1 iso 0 dist 9.85803 12.4693 7.02963 20.8518 12.1938 9.15377 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 5.28634 4.1584 4.92382 6.27859 9.08526 4.25566 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 5.28634 4.1584 4.92382 6.28535 8.96466 6.63171 numMergedOcc 0
22 mol 141 unq 2 iso 0 dist 5.28634 4.1584 4.92382 10.1966 11.4814 7.67273 numMergedOcc 0
23 mol 148 unq 0 iso 0 dist 9.0735 4.74651 8.74878 9.21934 4.43652 8.73468 numMergedOcc 0
24 mol 150 unq 0 iso 0 dist 9.03593 4.75241 8.74018 9.13113 4.48089 8.73558 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 7.50005 5.01686 8.4784 6.02957 4.61059 9.33696 numMergedOcc 0
26 mol 254 unq 0 iso 0 dist 7.40957 8.65259 9.50951 10.1882 5.67608 8.94909 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 9.49634 9.83915 4.36333 9.45135 3.89364 7.48269 numMergedOcc 0
28 mol 256 unq 1 iso 0 dist 9.49634 8.66329 6.96483 9.45135 3.89364 6.71249 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 5.55176 9.62532 9.25759 10.3062 8.99193 5.59555 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 5.55176 9.62532 9.25759 10.3062 8.99193 5.59555 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 5.55176 9.62532 9.25759 10.3062 8.99193 5.59555 numMergedOcc 0
