0 mol 8 unq 0 iso 0 dist 4.92734 6.26138 6.31827 7.35767 8.96553 12.1933 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 4.92734 6.57999 8.4069 7.35767 8.96553 9.62879 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.4754 7.3795 6.23795 7.06064 9.62879 12.4058 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.57999 4.92734 8.4069 7.35767 9.62879 8.96553 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 6.57999 6.26138 5.27819 7.35767 9.62879 12.1933 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 9.22151 6.22122 4.33106 4.96681 7.57578 7.17969 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 6.22122 9.22151 4.33106 4.96681 7.17969 7.57578 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 6.68311 9.96602 10.1538 8.1124 8.8178 13.4854 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 6.68311 9.96602 10.1538 15.0607 9.96708 15.1902 numMergedOcc 0
9 mol 72 unq 2 iso 0 dist 6.7212 9.08821 5.82403 11.6369 9.96708 13.9308 numMergedOcc 0
10 mol 72 unq 3 iso 0 dist 6.7212 9.08821 5.82403 6.12361 9.78528 12.4486 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 6.10011 8.124 5.7113 8.3449 5.93252 11.379 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.124 6.10011 5.7113 13.4367 6.19304 11.4799 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 5.57265 8.53393 6.39947 5.58109 7.9245 13.2462 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 8.96916 5.70279 5.33144 5.92158 6.45675 7.47343 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 5.70279 8.96916 5.33144 5.92158 7.47343 6.45675 numMergedOcc 0
16 mol 100 unq 2 iso 0 dist 5.70279 8.96916 5.33144 5.85449 6.65086 10.1409 numMergedOcc 0
17 mol 100 unq 3 iso 0 dist 5.70279 8.96916 5.33144 7.68675 6.56369 11.8665 numMergedOcc 0
18 mol 100 unq 4 iso 0 dist 5.70279 8.96916 5.33144 9.53223 9.30209 13.912 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 8.84523 9.45397 4.98336 14.7654 8.69985 13.4572 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 9.79004 8.43069 5.61668 10.0277 7.24514 10.2995 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 9.79004 8.43069 5.61668 7.33132 8.22656 6.82262 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 8.43069 9.79004 5.61668 7.33132 6.82262 8.22656 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 7.27598 5.57904 5.00817 6.50005 6.37586 6.49416 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 7.27598 5.57904 5.00817 12.0971 9.71307 12.5075 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 5.57904 7.27598 5.00817 7.41837 6.54501 9.5126 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 5.57904 7.27598 5.00817 6.50005 6.49416 6.37586 numMergedOcc 0
27 mol 156 unq 0 iso 0 dist 9.19499 7.11647 5.56175 5.66289 7.44554 8.94056 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 7.11647 9.19499 5.56175 5.59399 7.66148 12.0598 numMergedOcc 0
29 mol 156 unq 2 iso 0 dist 7.11647 9.19499 5.56175 5.66289 8.94056 7.44554 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 8.90247 6.58792 6.01247 5.114 9.1374 9.94371 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 8.90247 6.58792 6.01247 14.0828 8.03334 10.9639 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 8.7419 8.5834 6.8425 5.01062 6.00706 7.54212 numMergedOcc 0
33 mol 222 unq 1 iso 0 dist 8.5834 8.7419 6.8425 5.01062 7.54212 6.00706 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 9.73411 7.75485 5.60236 14.1073 8.95269 14.0676 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 9.73411 7.75485 5.60236 9.81806 6.57273 10.5128 numMergedOcc 0
36 mol 224 unq 2 iso 0 dist 9.73411 7.75485 5.60236 5.99647 5.78342 5.81334 numMergedOcc 0
37 mol 224 unq 3 iso 0 dist 7.75485 9.73411 5.60236 5.99647 5.81334 5.78342 numMergedOcc 0
38 mol 224 unq 4 iso 0 dist 7.07564 9.11052 5.60236 11.8217 8.95269 14.0676 numMergedOcc 0
39 mol 224 unq 5 iso 0 dist 7.07564 9.11052 5.60236 10.8463 6.57273 10.5128 numMergedOcc 0
40 mol 224 unq 6 iso 0 dist 7.07564 9.11052 5.60236 5.44863 5.78342 5.81334 numMergedOcc 0
41 mol 224 unq 7 iso 0 dist 9.11052 7.07564 5.60236 5.44863 5.81334 5.78342 numMergedOcc 0
42 mol 229 unq 0 iso 0 dist 8.8557 5.00457 5.57838 5.65373 8.22528 7.03423 numMergedOcc 0
43 mol 229 unq 1 iso 0 dist 5.00457 8.8557 5.57838 5.65373 7.03423 8.22528 numMergedOcc 0
44 mol 229 unq 2 iso 0 dist 5.00457 8.8557 5.57838 6.23084 9.06952 13.2905 numMergedOcc 0
45 mol 230 unq 0 iso 0 dist 5.62804 9.3619 5.46301 6.33989 6.7547 11.5044 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 4.87108 7.64276 5.34096 7.45873 6.22714 7.31233 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 7.64276 4.87108 5.34096 7.45873 7.31233 6.22714 numMergedOcc 0
48 mol 253 unq 0 iso 0 dist 9.02643 8.68368 8.02948 12.3948 7.32223 11.6434 numMergedOcc 0
49 mol 253 unq 1 iso 0 dist 9.02643 8.68368 8.02948 8.25257 8.31064 6.73034 numMergedOcc 0
50 mol 253 unq 2 iso 0 dist 8.68368 9.02643 8.02948 8.25257 6.73034 8.31064 numMergedOcc 0
51 mol 261 unq 0 iso 0 dist 9.95681 9.05762 5.51688 5.79827 8.02547 6.05727 numMergedOcc 0
52 mol 261 unq 1 iso 0 dist 9.05762 9.95681 5.51688 5.79827 6.05727 8.02547 numMergedOcc 0
53 mol 278 unq 0 iso 0 dist 8.83775 7.58272 8.29447 4.66992 8.44326 10.6095 numMergedOcc 0
