0 mol 0 unq 0 iso 0 dist 9.89568 9.8404 9.16606 14.2889 11.4815 9.94618 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.54999 6.66552 7.67459 12.9244 8.75469 8.58709 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.25196 5.05748 6.29755 10.3665 12.1689 6.10175 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 8.88159 5.05748 7.4038 10.3665 11.8364 6.10175 numMergedOcc 0
4 mol 86 unq 0 iso 0 dist 9.81596 5.04914 8.42594 11.5897 10.2202 9.64554 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 9.69413 5.22926 7.94379 8.48921 5.12529 8.6308 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 9.42064 11.3296 8.88401 13.0083 5.07523 8.28948 numMergedOcc 0
7 mol 124 unq 0 iso 0 dist 8.45451 5.20968 8.03603 5.69775 5.26643 5.61764 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 9.5205 6.57549 8.44933 11.382 5.16445 8.15971 numMergedOcc 0
9 mol 125 unq 1 iso 0 dist 7.1608 6.57549 7.43803 11.382 5.32986 8.15971 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 7.74102 6.04744 9.82274 8.49611 5.32245 6.89564 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 6.25968 5.50185 8.15734 9.29989 6.69705 6.4922 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 6.25968 5.58691 6.00896 11.2782 6.01484 7.94564 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 6.25968 5.58691 6.00896 14.045 10.6104 9.21999 numMergedOcc 0
14 mol 140 unq 0 iso 0 dist 9.16949 6.09043 6.55217 9.83976 4.8476 9.74209 numMergedOcc 0
15 mol 140 unq 1 iso 0 dist 8.65294 6.09043 7.21686 9.83976 8.53976 9.74209 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.07154 11.5349 9.54774 15.518 8.8525 7.99446 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 9.07154 11.5349 9.54774 16.1939 12.5216 7.21636 numMergedOcc 0
18 mol 170 unq 0 iso 0 dist 6.3247 9.311 9.15159 10.9842 7.9212 5.94075 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 6.23903 5.24086 9.84649 10.9979 9.01399 9.82833 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 8.39603 13.0499 9.84649 13.5932 9.01399 9.82833 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 9.77271 4.50907 8.49577 5.34832 8.78766 5.13722 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 8.27545 5.31675 5.83093 7.74423 5.21255 7.72242 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 8.29033 12.4349 8.24741 18.9361 12.3913 9.05082 numMergedOcc 0
24 mol 226 unq 1 iso 0 dist 5.44698 11.1522 8.24741 15.7841 12.3913 9.05082 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 9.19442 4.30527 8.92121 7.90449 11.8831 8.33254 numMergedOcc 0
26 mol 239 unq 1 iso 0 dist 6.77267 11.0259 7.10828 10.0379 5.94643 8.01565 numMergedOcc 0
27 mol 248 unq 0 iso 0 dist 9.37614 5.88268 7.51278 6.80314 4.13513 7.83878 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 9.63091 11.974 9.92947 16.5192 10.2154 8.11884 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 7.87577 5.06393 8.73425 8.8726 5.27718 6.59521 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 5.86702 5.06393 9.65711 8.8726 9.46467 6.59521 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 7.81641 6.68699 8.52827 14.2381 10.2078 8.87355 numMergedOcc 0
32 mol 279 unq 1 iso 0 dist 7.81641 9.30565 7.14122 14.2381 10.2078 8.18179 numMergedOcc 0
33 mol 279 unq 2 iso 0 dist 7.81641 9.30565 7.14122 11.3158 4.8005 7.45556 numMergedOcc 0
34 mol 279 unq 3 iso 0 dist 7.81641 9.30565 7.14122 12.3391 8.61009 5.25218 numMergedOcc 0
35 mol 281 unq 0 iso 0 dist 8.19366 5.39628 6.47753 14.7066 10.2905 9.61122 numMergedOcc 0
36 mol 281 unq 1 iso 0 dist 8.19366 7.203 9.69744 14.7066 10.2905 9.95684 numMergedOcc 0
37 mol 283 unq 0 iso 0 dist 8.57375 5.72409 6.93798 10.5356 4.67572 6.15136 numMergedOcc 0
