0 mol 26 unq 0 iso 0 dist 6.85245 9.15677 5.71065 16.4682 13.7149 8.34347 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.43571 9.61029 5.71065 14.3476 13.7149 8.34347 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.1695 7.51978 15.6611 10.6355 18.067 9.5589 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 9.1695 7.51978 15.6611 6.43082 13.4838 6.83299 numMergedOcc 0
4 mol 54 unq 2 iso 0 dist 9.1695 7.51978 15.6611 11.7347 19.1078 8.10861 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 7.45482 9.99643 4.78811 8.2572 8.44473 6.72123 numMergedOcc 0
6 mol 86 unq 0 iso 0 dist 8.8236 5.49793 7.89966 5.82069 14.5863 9.5497 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.75977 8.22406 9.54167 5.41023 7.11695 9.64443 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.93751 7.65229 6.29923 5.43987 12.9747 9.60462 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 9.93751 7.65229 6.29923 9.7695 12.5126 7.45389 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.98949 6.38977 7.47571 6.82985 14.1255 8.40312 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 8.98949 9.69757 12.885 6.82985 14.1255 7.12972 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 8.58873 9.0339 5.28089 15.9368 11.9102 7.7059 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 8.68179 6.64164 7.9092 5.361 13.3558 9.87651 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 5.32056 6.64164 6.45463 5.361 9.23645 9.87651 numMergedOcc 0
15 mol 167 unq 2 iso 0 dist 9.52659 6.64164 6.67469 5.361 9.06133 9.87651 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 8.88463 8.50904 6.93308 8.09861 11.4816 9.0018 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 8.88463 8.50904 6.93308 10.1323 13.7548 7.652 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 8.88463 7.04318 6.01639 8.09861 11.4816 5.6234 numMergedOcc 0
19 mol 175 unq 3 iso 0 dist 8.88463 7.04318 6.01639 10.1323 13.7548 9.92231 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 7.21606 6.96824 5.32364 8.76337 11.9989 7.63312 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 7.21606 9.25528 9.56466 18.2027 18.0099 9.1374 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 7.21606 9.25528 9.56466 11.4901 14.5548 5.98885 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 7.21606 9.25528 9.56466 11.9545 15.4995 9.15386 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 9.9479 8.93637 10.7994 14.8074 19.368 9.23153 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 6.9659 9.82174 5.48771 10.4397 9.43464 6.57393 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 6.9659 9.2521 14.301 12.8083 15.2032 6.22714 numMergedOcc 0
27 mol 238 unq 2 iso 0 dist 6.9659 9.2521 14.301 10.1821 11.7635 7.31233 numMergedOcc 0
28 mol 238 unq 3 iso 0 dist 8.09547 7.13194 13.3052 9.05069 15.3371 5.72887 numMergedOcc 0
29 mol 238 unq 4 iso 0 dist 8.66923 7.80166 7.04671 6.77788 4.80834 5.72887 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 7.32876 7.22378 5.38982 6.8193 10.5395 6.60405 numMergedOcc 0
31 mol 276 unq 0 iso 0 dist 8.63212 7.11272 11.0537 5.75852 12.8392 6.87396 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 8.12646 8.27977 8.00087 13.1217 14.3766 9.70696 numMergedOcc 0
