0 mol 7 unq 0 iso 0 dist 8.75465 6.3236 6.1206 12.8676 7.12508 7.10621 16.6733 13.6482 11.2706 7.15434 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.00249 6.3236 7.67927 12.8676 11.143 7.10621 16.6733 17.5841 11.2706 7.15434 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.6834 13.4994 7.95042 9.79529 5.11636 8.86116 11.9017 11.6434 16.6906 8.20058 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 9.20886 10.5933 7.66093 5.48831 7.07356 9.78528 5.50284 5.49421 6.12361 6.7212 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.91797 9.41666 7.54889 9.32725 10.4782 6.10456 15.3157 15.2414 12.0339 8.05602 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 6.37954 5.90686 5.10496 9.32725 3.9764 5.08437 15.3157 9.55337 12.0507 8.05602 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 6.37954 11.2946 5.92242 9.32725 3.9764 6.48948 15.3157 9.55337 4.72129 8.05602 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 6.37954 9.41666 5.2571 9.32725 3.9764 6.10456 15.3157 9.55337 12.0339 8.05602 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 6.62354 5.68669 8.52024 9.26438 5.00433 8.69985 15.3293 13.0202 14.7654 8.84523 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 8.00085 6.80429 8.52024 6.43255 5.00433 8.69985 13.8299 13.0202 14.7654 8.84523 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.54304 5.98221 6.24825 13.352 6.95773 9.33865 15.6079 13.829 11.8721 8.97043 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 7.85205 7.96311 6.10127 13.9305 6.57678 9.84395 11.3792 8.54233 5.34484 8.81172 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.76446 10.4858 9.1998 10.5814 15.0225 9.71307 12.3347 17.5459 12.0971 7.27598 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.14652 7.07625 9.33094 10.5814 10.8635 6.37586 12.3347 15.3301 6.50005 7.27598 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 6.14652 7.07625 9.33094 9.42271 12.3479 6.49416 12.3347 15.3301 6.50005 5.57904 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 6.14652 10.4858 8.69531 10.5814 10.8635 9.71307 12.3347 15.3301 12.0971 7.27598 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.00537 9.40374 6.61112 10.8152 11.0961 7.54065 8.48271 12.6239 8.61343 5.16813 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.9388 12.4751 6.61112 18.4039 11.0961 7.54065 17.7278 12.6239 8.61343 5.16813 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.32553 9.40714 6.52816 16.4532 13.514 7.26832 18.6687 16.3573 10.6362 6.15806 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 8.63804 4.81906 5.56538 11.4413 6.84862 7.21333 10.0079 8.51427 5.60111 5.47561 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 8.61619 4.81906 7.48954 11.4413 9.53117 7.21333 10.0079 11.6182 5.60111 5.47561 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 9.90415 6.52416 7.27993 6.32302 5.70473 8.22528 5.75801 10.3383 5.65373 8.8557 numMergedOcc 0
22 mol 229 unq 1 iso 0 dist 9.90415 6.52416 7.27993 6.88694 7.22525 7.03423 5.75801 10.3383 5.65373 5.00457 numMergedOcc 0
23 mol 229 unq 2 iso 0 dist 5.96615 6.81165 7.27993 8.53615 5.70473 8.22528 11.8915 10.3383 5.65373 8.8557 numMergedOcc 0
24 mol 229 unq 3 iso 0 dist 5.96615 6.81165 7.27993 11.0334 7.22525 7.03423 11.8915 10.3383 5.65373 5.00457 numMergedOcc 0
