0 mol 7 unq 0 iso 0 dist 9.49373 8.23909 5.37308 13.823 12.421 9.60499 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.22054 9.85726 14.9736 11.5784 17.5263 9.60499 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.62699 7.21217 14.3668 6.09254 11.0691 7.10621 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 9.70374 7.45487 10.1093 5.43751 12.5407 9.62879 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.34846 9.90845 6.85527 9.59761 12.0295 8.86116 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.34846 9.90845 6.85527 9.89489 13.7153 8.38394 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.85342 9.74445 13.6782 10.323 17.681 8.80331 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 9.85342 9.74445 13.6782 14.445 19.5448 6.20293 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.42762 6.86946 6.80053 5.889 9.70616 4.99221 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.53895 9.42766 8.82375 14.0677 13.0414 8.73993 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.00667 9.48243 6.55423 11.6637 13.8341 9.91388 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 6.21275 9.74498 12.692 10.7816 13.0805 8.67331 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 6.21275 9.74498 12.692 7.26476 11.9198 8.05741 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 5.25888 5.08206 4.51101 12.1783 13.3338 9.0018 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 5.25888 5.08206 4.51101 7.28617 8.84385 5.6234 numMergedOcc 0
15 mol 175 unq 2 iso 0 dist 5.25888 5.08206 4.51101 5.77256 9.81041 6.57069 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 8.63031 7.86625 8.27268 5.40949 10.8493 9.31746 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 8.03534 8.43584 16.0759 12.4616 17.0808 9.61492 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 8.03534 8.43584 16.0759 10.6123 17.9919 7.45763 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 8.14122 9.67457 9.53948 5.82028 10.5926 6.18308 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.40945 9.8711 6.29733 4.90657 10.2501 9.23153 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 7.81237 9.8711 13.3213 4.90657 5.39218 9.23153 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 8.65729 9.75313 6.57808 6.46679 10.2007 6.61986 numMergedOcc 0
23 mol 224 unq 1 iso 0 dist 9.9137 6.08709 6.57808 7.85135 10.2007 6.61986 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 7.32814 9.84492 5.88282 11.9226 12.1268 8.22528 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 7.01653 5.89084 4.93623 4.74041 5.46736 6.56247 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 7.01653 5.89084 4.93623 6.16697 10.8568 9.45496 numMergedOcc 0
27 mol 234 unq 2 iso 0 dist 7.01653 8.47009 11.7817 4.74041 5.46736 9.36357 numMergedOcc 0
28 mol 234 unq 3 iso 0 dist 7.01653 8.47009 11.7817 6.16697 10.8568 6.7625 numMergedOcc 0
29 mol 249 unq 0 iso 0 dist 8.73584 8.91685 12.0171 5.25611 13.313 7.57994 numMergedOcc 0
30 mol 249 unq 1 iso 0 dist 8.73584 8.91685 12.0171 9.66184 16.2652 6.18582 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 6.66413 7.93997 6.82055 14.8465 12.2264 7.46176 numMergedOcc 0
32 mol 261 unq 0 iso 0 dist 8.69675 9.62828 6.43209 10.5691 7.30472 8.02547 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 8.27284 6.75305 4.41644 10.0289 10.1878 6.24356 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 9.32156 9.91395 9.53794 4.97216 10.7773 9.10818 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 7.32898 7.80446 4.54436 6.57235 11.5357 9.10818 numMergedOcc 0
36 mol 276 unq 0 iso 0 dist 8.26741 9.05218 11.2406 5.72513 8.15803 9.8993 numMergedOcc 0
37 mol 276 unq 1 iso 0 dist 8.26741 9.05218 11.2406 8.86096 12.9942 6.87396 numMergedOcc 0
