0 mol 44 unq 0 iso 0 dist 7.85573 9.4798 11.6488 6.10468 6.21423 13.1527 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.70814 8.68726 9.54 3.60121 5.58384 11.9332 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 6.60294 8.36115 5.2986 4.78291 7.02173 11.1581 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 6.60294 9.31669 8.14521 4.78291 7.02173 12.7049 numMergedOcc 0
4 mol 65 unq 0 iso 0 dist 9.57525 6.97879 7.15449 6.10531 9.06948 8.56202 numMergedOcc 0
5 mol 65 unq 1 iso 0 dist 9.06948 8.56202 7.15449 6.10531 9.57525 6.97879 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 6.23298 5.70192 5.52457 5.32316 9.85405 7.65646 numMergedOcc 0
7 mol 67 unq 1 iso 0 dist 9.85405 7.65646 5.52457 5.32316 6.23298 5.70192 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.93688 7.57958 5.02124 7.35589 9.88184 10.8442 numMergedOcc 0
9 mol 110 unq 0 iso 0 dist 5.43052 9.29817 5.17209 4.7071 6.70591 11.766 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.63488 6.73897 9.84339 11.1037 9.31907 13.8726 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.31907 8.9344 6.8965 11.1037 9.63488 12.713 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 5.82034 9.8769 4.96701 4.38675 6.56854 11.4261 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 5.83335 7.42108 6.39381 3.75614 7.86724 11.0372 numMergedOcc 0
14 mol 183 unq 1 iso 0 dist 9.92635 7.42108 16.8061 3.75614 7.85507 11.0372 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 6.50727 8.32685 5.92782 5.3979 7.84826 6.74777 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 7.84826 6.74777 5.92782 5.3979 6.50727 8.32685 numMergedOcc 0
17 mol 197 unq 2 iso 0 dist 7.56537 9.62514 10.1284 10.6986 5.79753 10.7619 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 7.99525 7.79085 5.30261 4.19978 9.20965 6.48753 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 9.20965 6.48753 5.30261 4.19978 7.99525 7.79085 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 8.28364 7.77265 6.88405 6.73236 8.89116 11.7029 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 8.28364 9.65322 12.946 6.73236 8.89116 16.1722 numMergedOcc 0
22 mol 245 unq 0 iso 0 dist 6.58637 8.48687 5.77932 4.13941 8.91609 11.6587 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 7.97113 8.46351 11.1732 5.25523 8.38479 10.9956 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 5.22111 8.46351 9.53336 5.25523 8.53598 10.9956 numMergedOcc 0
25 mol 269 unq 0 iso 0 dist 7.97206 9.92223 7.20409 9.73015 7.1068 13.1395 numMergedOcc 0
26 mol 269 unq 1 iso 0 dist 7.97206 5.98602 4.52168 9.73015 7.1068 9.78238 numMergedOcc 0
27 mol 269 unq 2 iso 0 dist 7.1068 9.78238 4.52168 9.73015 7.97206 5.98602 numMergedOcc 0
