0 mol 9 unq 0 iso 0 dist 8.77074 7.84963 4.09467 11.1857 8.55446 12.044 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.77074 7.84963 4.09467 9.93406 6.59455 9.77636 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.77074 7.84963 4.09467 13.0985 5.71201 8.59513 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 5.06897 8.44792 4.71687 9.0507 9.38807 9.17574 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 5.06897 8.44792 4.71687 7.06047 9.17211 8.79953 numMergedOcc 0
5 mol 10 unq 2 iso 0 dist 5.06897 4.94198 3.77616 9.0507 9.38807 10.8155 numMergedOcc 0
6 mol 10 unq 3 iso 0 dist 5.06897 4.94198 3.77616 7.06047 9.17211 11.1687 numMergedOcc 0
7 mol 10 unq 4 iso 0 dist 5.06897 9.62353 12.0784 9.0507 9.38807 15.4657 numMergedOcc 0
8 mol 10 unq 5 iso 0 dist 5.06897 9.62353 12.0784 7.06047 9.17211 15.9052 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 8.70141 8.6586 4.21283 12.1061 4.90592 7.85986 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.70141 8.6586 4.21283 6.81998 8.16324 11.0098 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 5.74389 8.5213 8.12741 6.32283 6.40693 10.7283 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 7.86269 6.10053 4.67883 6.66441 7.31784 8.61893 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 8.95651 7.29864 8.75014 4.1125 9.05259 9.82998 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 8.95651 7.7399 15.041 4.1125 9.05259 6.89071 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 8.42713 5.10693 12.5638 15.595 7.62611 20.1017 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 8.42713 6.58814 12.4215 15.595 7.62611 20.0375 numMergedOcc 0
17 mol 93 unq 2 iso 0 dist 8.42713 6.13459 5.99863 15.595 7.62611 11.2438 numMergedOcc 0
18 mol 93 unq 3 iso 0 dist 8.42713 7.54391 6.15015 15.595 7.62611 12.0199 numMergedOcc 0
19 mol 120 unq 0 iso 0 dist 9.27951 9.58434 9.74634 6.71699 6.03352 12.784 numMergedOcc 0
20 mol 120 unq 1 iso 0 dist 9.27951 9.16089 9.23272 6.71699 6.03352 11.9801 numMergedOcc 0
21 mol 151 unq 0 iso 0 dist 5.87912 9.58685 10.247 3.95051 4.74531 8.1948 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 8.48559 9.067 5.21512 7.15755 7.14263 5.67088 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 8.48559 9.067 5.21512 7.74683 8.57005 12.4379 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 7.68295 7.06555 12.1034 4.98945 8.1536 10.2367 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 7.47107 8.76748 14.7863 10.7677 5.68348 16.3531 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 8.06435 9.33231 8.49326 3.96327 5.6703 10.2985 numMergedOcc 0
27 mol 237 unq 1 iso 0 dist 8.06435 9.33231 8.49326 9.75157 8.72819 15.3628 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 7.71972 9.82713 10.8539 6.70266 7.79704 13.9254 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 9.76049 9.82713 17.0434 6.70266 9.39276 13.9254 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 5.63154 5.96259 7.93548 11.7377 9.30921 15.5412 numMergedOcc 0
31 mol 286 unq 0 iso 0 dist 7.3415 8.87916 9.21314 5.38595 8.69826 11.9126 numMergedOcc 0
32 mol 286 unq 1 iso 0 dist 7.3415 8.27359 10.3374 5.38595 8.69826 13.356 numMergedOcc 0
33 mol 286 unq 2 iso 0 dist 7.3415 8.14957 7.62289 5.38595 8.69826 11.9842 numMergedOcc 0
