0 mol 59 unq 0 iso 0 dist 7.40411 11.5553 7.71095 12.7672 8.24062 5.3525 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 7.40411 6.31307 8.84665 12.7672 8.24062 11.0387 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 7.40411 5.76625 8.25513 12.7672 8.24062 9.15805 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 7.60252 7.54416 8.8178 7.34035 6.77912 12.0644 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 7.60252 9.89539 9.96708 7.34035 6.77912 7.11552 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 6.89004 11.5995 9.36773 5.03121 8.66514 8.4283 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 6.89004 11.5995 9.36773 8.83682 9.25235 5.37521 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.79958 8.55171 9.33898 14.5279 8.36431 10.9701 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 8.79958 8.36426 9.64443 14.5279 8.36431 12.4284 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 9.18852 16.05 9.33898 11.3741 8.36431 10.9701 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 9.18852 5.89198 9.64443 11.3741 8.36431 12.4284 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 5.8729 9.80725 8.69985 10.6994 5.87358 9.46098 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.65519 4.88092 6.85062 9.81525 6.91348 6.19596 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 6.65519 4.88092 6.85062 5.19391 9.51418 6.6499 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 8.54009 4.98777 7.7059 7.93565 6.03703 9.92344 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 6.90378 8.11604 9.2313 10.9657 7.15475 9.49653 numMergedOcc 0
16 mol 142 unq 1 iso 0 dist 6.90378 5.39629 7.73169 10.9657 7.15475 7.53854 numMergedOcc 0
17 mol 142 unq 2 iso 0 dist 6.90378 5.4779 8.96657 10.9657 7.15475 10.3477 numMergedOcc 0
18 mol 142 unq 3 iso 0 dist 7.01955 8.11604 5.31024 10.9657 9.07935 9.49653 numMergedOcc 0
19 mol 142 unq 4 iso 0 dist 7.01955 5.39629 7.26382 10.9657 9.07935 7.53854 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 6.94119 12.4052 9.0018 6.083 9.31887 11.0415 numMergedOcc 0
21 mol 175 unq 1 iso 0 dist 6.94119 6.11854 7.652 6.083 9.31887 5.0384 numMergedOcc 0
22 mol 182 unq 0 iso 0 dist 9.92736 14.6185 9.31746 5.55813 6.73313 11.1088 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 6.40983 8.48013 6.03031 14.2146 9.19704 8.66809 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 6.40983 9.6739 7.26832 14.2146 9.19704 6.23291 numMergedOcc 0
25 mol 205 unq 2 iso 0 dist 6.40983 11.3983 7.80463 14.2146 9.19704 13.231 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 7.84754 14.7198 9.02271 13.8897 7.19465 7.92528 numMergedOcc 0
27 mol 253 unq 1 iso 0 dist 6.71362 9.60213 9.02271 11.3135 7.19465 7.92528 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 5.99069 5.68295 9.361 5.82692 9.0012 9.74238 numMergedOcc 0
29 mol 264 unq 1 iso 0 dist 5.99069 5.68295 9.361 5.07981 9.5784 9.85579 numMergedOcc 0
30 mol 264 unq 2 iso 0 dist 5.99069 6.99623 6.24356 5.82692 9.0012 5.12409 numMergedOcc 0
31 mol 264 unq 3 iso 0 dist 5.99069 6.99623 6.24356 5.07981 9.5784 9.67998 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 7.27446 8.07916 8.4218 4.86651 6.34034 6.43013 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 9.32985 7.59176 8.33638 10.8918 6.73206 5.63139 numMergedOcc 0
34 mol 272 unq 1 iso 0 dist 5.50002 10.4754 9.97651 12.6367 9.09992 10.841 numMergedOcc 0
35 mol 272 unq 2 iso 0 dist 5.50002 10.4754 9.97651 5.85512 6.16449 4.72202 numMergedOcc 0
36 mol 272 unq 3 iso 0 dist 5.50002 12.6468 8.46116 12.6367 9.09992 5.63139 numMergedOcc 0
37 mol 272 unq 4 iso 0 dist 5.50002 12.6468 8.46116 5.85512 6.16449 8.52877 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 8.61945 9.21781 9.7748 7.75113 9.41725 6.58374 numMergedOcc 0
39 mol 278 unq 0 iso 0 dist 8.8437 8.4608 8.44326 5.89087 6.35287 6.07447 numMergedOcc 0
