0 mol 41 unq 0 iso 0 dist 9.59131 6.51139 13.4526 5.31016 6.78868 7.22315 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 9.59131 6.91278 11.3802 5.31016 6.78868 4.65104 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.72531 9.04514 4.91237 9.42728 4.06424 6.54946 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.72531 9.04514 4.91237 7.93341 5.63196 10.2729 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 9.57953 8.75165 10.4989 9.13032 11.6508 3.96279 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 8.06034 5.81553 5.73618 8.23777 10.347 6.74235 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.53731 8.79677 6.76815 8.27794 5.21101 11.1547 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 7.12336 9.73038 4.98521 6.72323 12.6435 12.9623 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.70977 8.52591 8.91809 8.01453 10.006 7.22151 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 7.5447 9.24754 14.6044 9.62943 14.0837 3.7064 numMergedOcc 0
10 mol 163 unq 1 iso 0 dist 9.04757 9.24754 9.20952 9.62943 6.09134 3.7064 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 8.44483 6.09291 11.8115 7.91434 13.754 7.70397 numMergedOcc 0
12 mol 169 unq 1 iso 0 dist 8.44483 6.09291 11.8115 7.79437 15.222 4.8154 numMergedOcc 0
13 mol 169 unq 2 iso 0 dist 9.79864 6.09291 12.8928 7.91434 9.38287 7.70397 numMergedOcc 0
14 mol 169 unq 3 iso 0 dist 9.79864 6.09291 12.8928 7.79437 13.8794 4.8154 numMergedOcc 0
15 mol 169 unq 4 iso 0 dist 9.73241 6.09291 11.3409 7.91434 4.80754 7.70397 numMergedOcc 0
16 mol 169 unq 5 iso 0 dist 9.73241 6.09291 11.3409 7.79437 8.15907 4.8154 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 8.86645 8.90161 10.4092 5.97968 5.18154 5.51195 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 8.97651 9.35664 11.0735 8.13947 4.13357 7.07871 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 9.718 5.70065 10.0806 9.26092 9.53964 5.4402 numMergedOcc 0
20 mol 210 unq 1 iso 0 dist 8.61629 5.70065 6.89532 9.26092 5.82101 5.4402 numMergedOcc 0
21 mol 244 unq 0 iso 0 dist 5.06669 9.06357 5.11058 5.79898 10.6799 14.3408 numMergedOcc 0
22 mol 244 unq 1 iso 0 dist 5.65248 9.06357 10.8525 5.79898 8.05133 14.3408 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.64278 8.17026 11.7692 9.58735 4.17741 8.59303 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 9.64278 8.43002 12.4784 9.58735 4.17741 10.3959 numMergedOcc 0
