0 mol 11 unq 0 iso 0 dist 9.07476 10.5382 9.74528 9.46202 6.83186 15.0022 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.76224 8.34712 7.7871 11.7233 8.53424 11.1346 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.76224 8.34712 7.7871 13.0183 7.08766 10.8275 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 8.76224 8.34712 7.7871 10.9699 4.82199 7.90018 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 9.54314 4.44905 6.89855 9.09265 8.14512 5.04771 numMergedOcc 0
5 mol 63 unq 1 iso 0 dist 9.54314 4.44905 6.89855 7.57764 9.13228 9.54378 numMergedOcc 0
6 mol 63 unq 2 iso 0 dist 9.54314 6.25029 7.85738 9.09265 8.14512 9.28052 numMergedOcc 0
7 mol 63 unq 3 iso 0 dist 9.54314 6.25029 7.85738 7.57764 9.13228 4.44607 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.46582 4.00834 5.91098 9.68005 7.66068 11.6853 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 6.46582 4.00834 5.91098 14.6547 9.5043 15.0489 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 6.46582 4.00834 5.91098 14.1202 8.34132 14.2393 numMergedOcc 0
11 mol 76 unq 3 iso 0 dist 6.46582 9.6911 4.86523 9.68005 7.66068 4.94673 numMergedOcc 0
12 mol 76 unq 4 iso 0 dist 6.46582 9.6911 4.86523 14.6547 9.5043 5.78236 numMergedOcc 0
13 mol 76 unq 5 iso 0 dist 6.46582 9.6911 4.86523 14.1202 8.34132 4.73151 numMergedOcc 0
14 mol 78 unq 0 iso 0 dist 6.73466 6.26966 6.11101 4.15443 9.07629 5.72585 numMergedOcc 0
15 mol 78 unq 1 iso 0 dist 6.73466 6.26966 6.11101 5.83035 8.61143 7.38398 numMergedOcc 0
16 mol 83 unq 0 iso 0 dist 9.94528 9.39588 7.69755 5.31562 7.50925 4.12785 numMergedOcc 0
17 mol 83 unq 1 iso 0 dist 9.94528 9.39588 7.69755 9.24212 6.96722 6.83349 numMergedOcc 0
18 mol 83 unq 2 iso 0 dist 9.94528 14.6472 9.64197 5.31562 7.50925 9.58199 numMergedOcc 0
19 mol 83 unq 3 iso 0 dist 9.94528 14.6472 9.64197 9.24212 6.96722 8.6522 numMergedOcc 0
20 mol 83 unq 4 iso 0 dist 8.94777 12.0034 7.69755 8.56578 7.50925 4.12785 numMergedOcc 0
21 mol 83 unq 5 iso 0 dist 8.94777 12.0034 7.69755 12.1198 6.96722 6.83349 numMergedOcc 0
22 mol 83 unq 6 iso 0 dist 8.94777 16.6651 9.64197 8.56578 7.50925 9.58199 numMergedOcc 0
23 mol 83 unq 7 iso 0 dist 8.94777 16.6651 9.64197 12.1198 6.96722 8.6522 numMergedOcc 0
24 mol 83 unq 8 iso 0 dist 9.47551 5.68174 7.69755 7.14423 7.50925 4.12785 numMergedOcc 0
25 mol 83 unq 9 iso 0 dist 9.47551 5.68174 7.69755 3.76903 6.96722 6.83349 numMergedOcc 0
26 mol 83 unq 10 iso 0 dist 9.47551 6.90476 9.64197 7.14423 7.50925 9.58199 numMergedOcc 0
27 mol 83 unq 11 iso 0 dist 9.47551 6.90476 9.64197 3.76903 6.96722 8.6522 numMergedOcc 0
28 mol 92 unq 0 iso 0 dist 5.48163 6.18402 4.91714 6.87448 8.10623 3.63696 numMergedOcc 0
29 mol 92 unq 1 iso 0 dist 7.7399 11.011 4.91714 12.6706 8.10623 3.63696 numMergedOcc 0
30 mol 92 unq 2 iso 0 dist 7.33353 9.44377 8.01266 6.21004 8.55237 4.65353 numMergedOcc 0
31 mol 98 unq 0 iso 0 dist 9.68556 6.99582 9.45257 4.48773 6.5816 7.22521 numMergedOcc 0
32 mol 98 unq 1 iso 0 dist 8.73928 4.34199 9.45257 3.78499 6.5816 7.22521 numMergedOcc 0
33 mol 122 unq 0 iso 0 dist 6.80798 6.25432 4.821 4.61966 8.565 5.74569 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 9.14525 9.9552 4.79423 13.1776 7.25595 5.86994 numMergedOcc 0
35 mol 186 unq 1 iso 0 dist 9.14525 9.9552 4.79423 4.10348 9.94825 8.74892 numMergedOcc 0
36 mol 230 unq 0 iso 0 dist 6.99256 6.28086 8.01593 6.2863 9.47092 4.45276 numMergedOcc 0
37 mol 233 unq 0 iso 0 dist 7.40498 6.14114 6.33954 3.4982 7.83831 8.8061 numMergedOcc 0
38 mol 254 unq 0 iso 0 dist 7.89302 10.4935 9.84028 5.81468 7.85841 11.4342 numMergedOcc 0
39 mol 254 unq 1 iso 0 dist 7.89302 10.4935 9.84028 8.51317 9.20109 11.2466 numMergedOcc 0
40 mol 260 unq 0 iso 0 dist 9.46576 13.9264 6.90472 3.48905 8.62655 11.9315 numMergedOcc 0
41 mol 266 unq 0 iso 0 dist 9.35293 6.3565 6.48382 7.2339 6.96692 5.79323 numMergedOcc 0
42 mol 266 unq 1 iso 0 dist 9.35293 6.3565 6.48382 12.15 8.25286 7.52317 numMergedOcc 0
43 mol 266 unq 2 iso 0 dist 9.35293 6.3565 6.48382 14.8334 9.9965 9.52953 numMergedOcc 0
44 mol 266 unq 3 iso 0 dist 7.93375 5.54798 6.48382 3.87565 6.96692 5.79323 numMergedOcc 0
45 mol 266 unq 4 iso 0 dist 7.93375 5.54798 6.48382 9.25882 8.25286 7.52317 numMergedOcc 0
46 mol 266 unq 5 iso 0 dist 7.93375 5.54798 6.48382 12.1357 9.9965 9.52953 numMergedOcc 0
