0 mol 51 unq 0 iso 0 dist 8.71029 9.37125 13.6102 5.49645 7.12423 9.0709 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.2932 7.54869 10.7219 5.50049 5.97635 9.5589 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 5.2932 6.29729 6.76462 5.50049 5.97635 6.83299 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.73849 8.79958 11.104 8.55171 13.6688 9.33898 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.73849 8.79958 11.104 8.36426 12.5764 9.64443 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 7.56534 7.89797 5.33325 4.98369 9.65047 7.27724 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 7.56534 6.12086 5.69671 13.7041 12.5791 9.03572 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 7.56534 6.12086 5.69671 11.3093 13.9545 8.83255 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 7.56534 6.12086 5.69671 4.98369 9.65047 8.03644 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.64521 7.86754 15.9327 8.48326 15.2493 8.69985 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 6.66532 6.929 4.93112 6.28185 8.73648 8.58044 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 7.23036 5.94669 4.42285 5.89212 9.69426 8.37808 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 5.44357 9.20372 5.6098 4.88092 6.31125 8.40312 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 5.44357 6.65519 5.59449 4.88092 6.31125 6.85062 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.22459 6.70271 6.26797 10.8963 5.86531 7.11802 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 9.22459 6.2109 9.73435 11.6923 15.5083 6.29155 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 9.22459 6.2109 9.73435 12.4997 11.5178 6.80239 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 9.22459 6.2109 9.73435 10.8963 5.86531 8.00618 numMergedOcc 0
18 mol 133 unq 4 iso 0 dist 9.4957 5.44721 11.4104 5.0869 11.8159 6.29155 numMergedOcc 0
19 mol 142 unq 0 iso 0 dist 8.63549 6.90378 7.17402 8.11604 11.8539 9.2313 numMergedOcc 0
20 mol 142 unq 1 iso 0 dist 8.63549 6.90378 7.17402 5.39629 12.2814 7.73169 numMergedOcc 0
21 mol 142 unq 2 iso 0 dist 8.63549 6.90378 7.17402 5.4779 13.141 8.96657 numMergedOcc 0
22 mol 142 unq 3 iso 0 dist 8.63549 7.01955 7.01127 8.11604 11.8539 5.31024 numMergedOcc 0
23 mol 142 unq 4 iso 0 dist 8.63549 7.01955 7.01127 5.39629 12.2814 7.26382 numMergedOcc 0
24 mol 196 unq 0 iso 0 dist 6.76322 8.95053 8.46009 7.87147 12.9615 9.62191 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 7.59064 9.07855 9.84081 15.5856 13.4991 7.46176 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 9.74952 5.99069 11.2529 5.68295 15.3175 9.361 numMergedOcc 0
27 mol 264 unq 1 iso 0 dist 9.74952 5.99069 11.2529 6.99623 10.7818 6.24356 numMergedOcc 0
28 mol 264 unq 2 iso 0 dist 9.07879 5.99069 3.93713 5.68295 13.1873 9.361 numMergedOcc 0
29 mol 264 unq 3 iso 0 dist 9.07879 5.99069 3.93713 6.99623 8.19504 6.24356 numMergedOcc 0
30 mol 272 unq 0 iso 0 dist 9.31271 5.50002 9.38679 10.4754 15.9687 9.97651 numMergedOcc 0
31 mol 272 unq 1 iso 0 dist 9.31271 5.50002 9.38679 12.6468 14.5021 8.46116 numMergedOcc 0
32 mol 272 unq 2 iso 0 dist 5.48261 5.50002 9.37952 10.4754 14.8749 9.97651 numMergedOcc 0
33 mol 272 unq 3 iso 0 dist 5.48261 5.50002 9.37952 12.6468 17.2826 8.46116 numMergedOcc 0
