0 mol 0 unq 0 iso 0 dist 7.37981 6.58151 6.26831 7.30381 5.24778 6.64713 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.19621 8.69991 6.26831 11.9766 5.24778 6.64713 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 7.97656 6.67016 5.78148 9.57675 4.56335 7.98679 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 9.69454 4.20374 7.48847 10.4238 6.42867 6.39966 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 6.27749 11.7103 8.82176 9.34193 5.32257 4.65127 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.02288 6.28525 8.03303 9.53327 14.6243 7.62738 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.58544 5.32605 8.03303 11.5958 14.6243 7.62738 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 6.67936 6.4628 5.88354 4.96613 4.67519 6.62972 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 8.25817 6.4628 5.74854 4.96613 10.4027 6.62972 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 6.31633 5.70461 8.67766 9.10677 7.20706 6.76575 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 7.21115 5.70461 8.0831 9.10677 5.35728 6.76575 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 6.85381 4.26804 8.729 9.69961 5.39346 9.77017 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.42445 10.9798 6.34525 19.5327 12.7083 9.35942 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 9.93703 7.09096 7.99623 6.13508 7.45148 9.9151 numMergedOcc 0
14 mol 126 unq 0 iso 0 dist 9.54928 12.3511 9.46588 12.4696 6.0268 5.94233 numMergedOcc 0
15 mol 126 unq 1 iso 0 dist 9.54928 12.3511 9.46588 16.2098 8.01268 8.56219 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 8.97145 13.3078 9.29384 18.4941 13.1439 5.44303 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 8.97145 13.3078 9.29384 20.6764 13.7237 8.50562 numMergedOcc 0
18 mol 131 unq 2 iso 0 dist 6.5874 10.6416 9.29384 15.5064 13.1439 5.44303 numMergedOcc 0
19 mol 131 unq 3 iso 0 dist 6.5874 10.6416 9.29384 15.7544 13.7237 8.50562 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 6.42756 8.81081 6.69515 13.1575 10.1386 4.46777 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 6.42756 8.81081 6.69515 12.4715 7.42649 6.94988 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 9.82249 5.16577 6.20182 8.62413 4.20425 7.14263 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 9.82249 5.16577 6.20182 12.816 6.07158 8.57005 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 9.00898 15.1521 7.35824 20.0546 11.8693 5.89564 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 9.00898 15.1521 7.35824 14.1076 6.77832 5.60528 numMergedOcc 0
26 mol 175 unq 2 iso 0 dist 9.00898 13.624 9.17364 14.1076 6.77832 5.5995 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 7.66381 12.2047 9.83476 12.3583 10.5063 4.5271 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 7.66381 12.2047 9.83476 18.3035 14.4429 7.02575 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 7.32478 14.1302 8.83356 11.9074 7.11753 5.68348 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 9.48439 13.752 8.83356 10.896 7.11753 5.68348 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 7.31105 12.6425 5.45036 12.6669 7.11498 5.37796 numMergedOcc 0
32 mol 230 unq 0 iso 0 dist 8.49299 11.9554 6.41286 14.1578 6.33877 8.34416 numMergedOcc 0
33 mol 230 unq 1 iso 0 dist 8.49299 11.9554 6.41286 13.3945 5.0515 6.34832 numMergedOcc 0
34 mol 253 unq 0 iso 0 dist 7.7993 5.75734 7.77998 11.2785 5.78064 8.15091 numMergedOcc 0
35 mol 253 unq 1 iso 0 dist 6.10761 10.1636 7.77998 11.2304 5.78064 8.15091 numMergedOcc 0
36 mol 257 unq 0 iso 0 dist 8.18901 10.5747 9.69696 13.9495 6.74593 9.43042 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 9.696 16.1684 9.56685 13.0106 5.29529 8.2997 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 9.98528 7.01469 6.57903 13.4835 6.28695 7.85414 numMergedOcc 0
