0 mol 54 unq 0 iso 0 dist 9.5915 5.97635 9.88291 10.7219 11.0361 9.5589 6.76462 11.4465 6.83299 5.08001 numMergedOcc 0
1 mol 54 unq 0 iso 1 dist 9.5915 5.97635 9.88291 6.76462 11.4465 6.83299 10.7219 11.0361 9.5589 5.08001 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 9.5915 5.97635 9.88291 10.7219 11.0361 9.5589 13.2619 16.0531 8.10861 16.3192 numMergedOcc 0
3 mol 54 unq 1 iso 1 dist 9.5915 5.97635 9.88291 13.2619 16.0531 8.10861 10.7219 11.0361 9.5589 16.3192 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 9.5915 5.97635 9.88291 6.76462 11.4465 6.83299 13.2619 16.0531 8.10861 14.2075 numMergedOcc 0
5 mol 54 unq 1 iso 1 dist 9.5915 5.97635 9.88291 13.2619 16.0531 8.10861 6.76462 11.4465 6.83299 14.2075 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 4.67917 6.65344 5.34079 5.29688 8.05508 6.85766 13.1729 12.5028 7.71095 10.0246 numMergedOcc 0
7 mol 59 unq 0 iso 1 dist 4.67917 6.65344 5.34079 13.1729 12.5028 7.71095 5.29688 8.05508 6.85766 10.0246 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 6.88924 6.65344 6.11334 5.29688 10.7085 6.85766 13.1729 13.6406 7.71095 10.0246 numMergedOcc 0
9 mol 59 unq 1 iso 1 dist 6.88924 6.65344 6.11334 13.1729 13.6406 7.71095 5.29688 10.7085 6.85766 10.0246 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.36326 9.65047 16.7208 5.33325 12.146 7.27724 5.69671 12.7234 8.03644 8.41707 numMergedOcc 0
11 mol 95 unq 0 iso 1 dist 8.36326 9.65047 16.7208 5.69671 12.7234 8.03644 5.33325 12.146 7.27724 8.41707 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.84249 7.15985 11.6091 6.68714 13.5949 9.60462 6.71889 14.2434 7.45389 7.05226 numMergedOcc 0
13 mol 112 unq 0 iso 1 dist 7.84249 7.15985 11.6091 6.71889 14.2434 7.45389 6.68714 13.5949 9.60462 7.05226 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 8.43293 7.04864 5.89379 4.5543 12.2464 8.75408 6.81949 11.2107 6.44653 5.23036 numMergedOcc 0
15 mol 120 unq 0 iso 1 dist 8.43293 7.04864 5.89379 6.81949 11.2107 6.44653 4.5543 12.2464 8.75408 5.23036 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 7.12336 5.86531 5.37072 6.26797 9.50322 7.11802 9.73435 5.82404 8.00618 8.18495 numMergedOcc 0
17 mol 133 unq 0 iso 1 dist 7.12336 5.86531 5.37072 9.73435 5.82404 8.00618 6.26797 9.50322 7.11802 8.18495 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 7.12336 5.82404 9.73435 10.2385 15.5083 6.29155 4.64588 11.5178 6.80239 7.81217 numMergedOcc 0
19 mol 133 unq 1 iso 1 dist 7.12336 5.82404 9.73435 4.64588 11.5178 6.80239 10.2385 15.5083 6.29155 7.81217 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 7.12336 5.82404 9.73435 10.2385 15.5083 6.29155 5.37072 5.86531 8.00618 11.965 numMergedOcc 0
21 mol 133 unq 2 iso 1 dist 7.12336 5.82404 9.73435 5.37072 5.86531 8.00618 10.2385 15.5083 6.29155 11.965 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 7.12336 5.82404 9.73435 4.64588 11.5178 6.80239 5.37072 5.86531 8.00618 7.79672 numMergedOcc 0
23 mol 133 unq 2 iso 1 dist 7.12336 5.82404 9.73435 5.37072 5.86531 8.00618 4.64588 11.5178 6.80239 7.79672 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 7.50665 7.50424 5.44171 6.88707 10.0587 8.41436 8.96936 13.3065 8.92474 8.62358 numMergedOcc 0
25 mol 234 unq 0 iso 1 dist 7.50665 7.50424 5.44171 8.96936 13.3065 8.92474 6.88707 10.0587 8.41436 8.62358 numMergedOcc 0
26 mol 249 unq 0 iso 0 dist 6.40339 6.37672 9.9244 9.07501 15.0261 7.57994 4.24014 10.454 6.18582 5.01979 numMergedOcc 0
27 mol 249 unq 0 iso 1 dist 6.40339 6.37672 9.9244 4.24014 10.454 6.18582 9.07501 15.0261 7.57994 5.01979 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 8.37512 5.73834 4.16729 6.48867 9.98141 6.60405 7.52881 10.3938 6.42289 7.26417 numMergedOcc 0
29 mol 258 unq 0 iso 1 dist 8.37512 5.73834 4.16729 7.52881 10.3938 6.42289 6.48867 9.98141 6.60405 7.26417 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.05363 8.06771 10.4985 6.64729 5.90645 8.13497 9.79538 9.73107 7.88519 4.69778 numMergedOcc 0
31 mol 259 unq 0 iso 1 dist 9.05363 8.06771 10.4985 9.79538 9.73107 7.88519 6.64729 5.90645 8.13497 4.69778 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 9.05363 5.90645 6.64729 4.62072 12.3391 8.53687 10.4985 8.06771 8.13497 10.582 numMergedOcc 0
33 mol 259 unq 1 iso 1 dist 9.05363 5.90645 6.64729 10.4985 8.06771 8.13497 4.62072 12.3391 8.53687 10.582 numMergedOcc 0
