0 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 4.55117 8.80108 7.03126 10.8779 16.0571 8.66539 10.8078 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 4.55117 8.80108 7.03126 5.47421 10.335 5.38524 5.98837 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 6.40841 8.69057 11.0945 5.64209 6.50297 13.3982 10.8779 16.0571 8.66539 16.2906 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 6.40841 8.69057 11.0945 5.64209 6.50297 13.3982 5.47421 10.335 5.38524 11.0512 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 8.89374 8.96727 14.6599 12.7331 6.96494 20.5213 4.81926 11.5023 9.22598 15.4158 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 8.89374 8.96727 14.6599 7.05413 7.01363 15.7229 4.81926 11.5023 9.22598 10.2241 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 8.624 9.74228 9.88768 6.00418 9.19459 9.14817 5.36766 6.77912 7.12321 9.0131 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 8.624 9.74228 9.88768 6.00418 9.19459 9.14817 7.04035 11.9814 6.21799 6.11922 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 6.77912 7.12321 9.88768 9.0131 9.19459 9.14817 5.36766 8.624 9.74228 6.00418 numMergedOcc 0
9 mol 72 unq 3 iso 0 dist 6.77912 7.12321 9.88768 9.0131 9.19459 9.14817 8.24309 11.9814 6.21799 6.11922 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 8.66514 7.80898 7.15936 5.90098 7.71582 11.1055 12.1547 14.3557 7.51139 17.2816 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 9.25235 7.80898 10.8763 5.90098 6.65776 11.1055 12.1547 17.4216 7.51139 17.2816 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.64585 6.39384 5.65471 10.7942 6.40036 8.0168 7.69052 12.2309 9.42082 10.9739 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.94837 9.00918 5.58312 5.9915 6.4218 5.73203 14.069 11.0162 9.10524 14.0644 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.94837 7.99477 9.61537 5.9915 6.4218 6.57379 6.90348 13.0127 5.35237 8.96357 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 8.53199 7.33709 11.6662 7.47048 6.75035 12.5343 4.72474 12.0819 8.75536 8.36122 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 8.53199 7.33709 11.6662 7.47048 6.75035 12.5343 5.61978 13.6555 6.67404 12.7963 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 6.65984 8.79428 10.9705 7.12232 9.47554 10.8888 6.77699 11.0097 6.99769 12.6949 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 6.65984 8.79428 10.9705 7.12232 9.47554 10.8888 8.49799 10.667 6.8692 5.3621 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 10.7506 8.75834 8.91356 13.3965 9.88956 6.50998 8.69249 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 5.50387 8.1945 3.92979 7.12954 9.36396 9.59574 13.3965 9.88956 6.50998 14.2819 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.62609 6.91318 11.5454 8.8709 6.152 11.5426 5.22356 13.4493 5.23634 13.3557 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 8.17891 5.23634 4.09934 13.3557 7.95168 11.5426 5.22356 6.95902 6.91318 8.8709 numMergedOcc 0
23 mol 227 unq 2 iso 0 dist 6.95902 6.91318 4.09934 8.8709 7.95168 11.5426 5.22356 8.17891 5.23634 13.3557 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 5.56749 8.49841 9.11572 10.2693 11.8897 5.64285 8.0608 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 9.5707 7.81215 11.8229 12.1076 9.6101 7.20293 10.2693 11.8897 5.64285 6.29366 numMergedOcc 0
26 mol 234 unq 2 iso 0 dist 9.39181 5.64285 6.45373 6.29366 5.32183 7.20293 10.2693 10.475 7.81215 12.1076 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 7.02475 9.12776 13.037 8.82861 6.65088 9.84652 15.7907 17.436 9.72188 15.5674 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 7.67322 9.12776 9.75095 8.82861 6.5772 9.84652 15.7907 12.1104 9.72188 15.5674 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 7.19008 9.12776 6.12722 8.82861 6.17025 9.84652 15.7907 15.0465 9.72188 15.5674 numMergedOcc 0
