0 mol 26 unq 0 iso 0 dist 8.98417 10.7786 5.497 12.1122 9.5053 14.3325 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 7.96312 15.4799 7.60283 4.7474 7.45532 14.2471 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 7.67129 14.1714 7.60283 9.37609 7.45532 14.2471 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 4.5673 11.1279 9.62637 8.72181 9.32898 7.91752 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 4.5673 5.59308 6.01423 8.72181 9.32898 5.73902 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.66506 13.1044 7.10439 5.67493 6.48232 11.2505 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.82707 9.24886 8.10446 10.7046 8.39326 7.64686 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 6.82707 9.24886 8.10446 12.2821 6.33741 7.59218 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.18097 12.8729 6.05495 11.155 8.70863 13.7907 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 8.83135 3.97167 6.05495 15.3247 8.70863 13.7907 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 4.86767 10.8755 9.83981 8.16908 9.35942 8.36453 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 4.86767 10.8755 9.83981 9.20674 7.42482 17.1979 numMergedOcc 0
12 mol 114 unq 2 iso 0 dist 4.86767 5.27861 6.13559 8.16908 9.35942 6.22315 numMergedOcc 0
13 mol 114 unq 3 iso 0 dist 4.86767 5.27861 6.13559 9.20674 7.42482 13.0539 numMergedOcc 0
14 mol 114 unq 4 iso 0 dist 4.86767 4.8628 6.51395 8.16908 9.35942 6.18257 numMergedOcc 0
15 mol 114 unq 5 iso 0 dist 4.86767 4.8628 6.51395 9.20674 7.42482 10.4498 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 8.12854 6.34223 5.60389 12.2787 8.85881 6.03931 numMergedOcc 0
17 mol 116 unq 0 iso 0 dist 8.03113 8.2258 7.35992 6.39362 8.79367 7.50935 numMergedOcc 0
18 mol 116 unq 1 iso 0 dist 8.03113 11.1305 6.49383 6.39362 8.79367 12.4955 numMergedOcc 0
19 mol 116 unq 2 iso 0 dist 9.2638 10.3223 7.35992 8.61652 8.79367 7.50935 numMergedOcc 0
20 mol 116 unq 3 iso 0 dist 9.2638 12.8624 6.49383 8.61652 8.79367 12.4955 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 7.23059 10.405 9.6096 6.61554 5.8628 10.6936 numMergedOcc 0
22 mol 173 unq 0 iso 0 dist 9.31172 8.94838 6.64779 10.2708 8.03528 10.2821 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 8.79832 10.2578 5.4997 10.1424 5.89564 5.95187 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 8.27761 4.87212 7.17337 5.68442 6.57921 7.0877 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 9.29788 15.6651 9.58354 4.60689 8.15091 14.5407 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 9.50983 14.0411 9.58354 9.18036 8.15091 14.5407 numMergedOcc 0
