0 mol 1 unq 0 iso 0 dist 5.87976 9.48433 6.35409 8.3673 5.06184 4.50502 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.0637 4.89563 5.69927 9.60736 5.61111 6.91314 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.58806 9.27448 7.15972 9.41386 5.45791 4.95627 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.58806 9.27448 7.15972 4.71964 9.19871 6.8396 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.58806 9.27448 7.15972 6.58478 7.47366 8.37381 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 8.58806 9.07927 12.1122 9.41386 5.45791 9.31841 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 8.58806 9.07927 12.1122 4.71964 9.19871 6.10919 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 8.58806 9.07927 12.1122 6.58478 7.47366 10.5564 numMergedOcc 0
8 mol 25 unq 6 iso 0 dist 8.58806 8.50987 14.3338 9.41386 5.45791 12.6859 numMergedOcc 0
9 mol 25 unq 7 iso 0 dist 8.58806 8.50987 14.3338 4.71964 9.19871 5.86705 numMergedOcc 0
10 mol 25 unq 8 iso 0 dist 8.58806 8.50987 14.3338 6.58478 7.47366 10.7201 numMergedOcc 0
11 mol 62 unq 0 iso 0 dist 6.49446 8.30291 11.1759 5.48283 5.56988 5.68906 numMergedOcc 0
12 mol 62 unq 1 iso 0 dist 6.49446 8.30291 11.1759 8.18866 3.71033 9.77663 numMergedOcc 0
13 mol 90 unq 0 iso 0 dist 8.91055 8.14057 5.36296 7.15918 5.82228 6.49362 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.34149 9.45717 14.5572 8.25027 13.8717 4.19723 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 8.63279 9.45717 16.553 8.25027 15.2333 4.19723 numMergedOcc 0
16 mol 135 unq 0 iso 0 dist 6.29701 9.13451 8.13139 8.55869 5.56349 11.2455 numMergedOcc 0
17 mol 135 unq 1 iso 0 dist 6.29701 9.13451 8.13139 6.65965 5.46698 8.50814 numMergedOcc 0
18 mol 135 unq 2 iso 0 dist 6.29701 9.171 5.88534 8.55869 5.56349 5.69612 numMergedOcc 0
19 mol 135 unq 3 iso 0 dist 6.29701 9.171 5.88534 6.65965 5.46698 3.95636 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 8.80094 7.53748 13.1236 8.96534 3.90323 11.2701 numMergedOcc 0
21 mol 168 unq 1 iso 0 dist 8.80094 7.53748 13.1236 8.65328 6.97182 9.87321 numMergedOcc 0
22 mol 168 unq 2 iso 0 dist 8.80094 7.53748 13.1236 5.69346 13.358 5.16335 numMergedOcc 0
23 mol 168 unq 3 iso 0 dist 9.03681 7.53748 9.8022 8.96534 15.9598 11.2701 numMergedOcc 0
24 mol 168 unq 4 iso 0 dist 9.03681 7.53748 9.8022 8.65328 16.9458 9.87321 numMergedOcc 0
25 mol 168 unq 5 iso 0 dist 9.03681 7.53748 9.8022 5.69346 4.92763 5.16335 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 8.30819 8.68992 10.5731 5.98495 9.74745 3.65288 numMergedOcc 0
27 mol 197 unq 0 iso 0 dist 8.05227 7.18765 7.56497 5.65314 10.9673 9.61454 numMergedOcc 0
28 mol 197 unq 1 iso 0 dist 8.05227 7.41091 5.66137 5.65314 10.9673 7.59871 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 9.22999 5.07968 5.38988 9.72819 14.6977 9.82834 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 8.17234 9.48923 9.29848 9.69367 3.72432 6.83765 numMergedOcc 0
31 mol 229 unq 1 iso 0 dist 8.17234 9.67544 6.21233 9.69367 3.72432 4.61227 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 8.15743 6.94983 9.60401 7.13253 6.54593 5.42461 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 5.67249 8.58958 10.3064 4.37501 4.86668 5.53885 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 5.67249 7.17987 6.50055 4.37501 4.86668 3.95629 numMergedOcc 0
35 mol 243 unq 0 iso 0 dist 9.6748 8.19458 16.7618 7.42359 6.76489 11.8376 numMergedOcc 0
36 mol 243 unq 1 iso 0 dist 9.6748 9.45133 16.2753 7.42359 6.76489 12.0468 numMergedOcc 0
37 mol 243 unq 2 iso 0 dist 8.71177 8.19458 11.0832 7.42359 3.72181 11.8376 numMergedOcc 0
38 mol 243 unq 3 iso 0 dist 8.71177 9.45133 9.97025 7.42359 3.72181 12.0468 numMergedOcc 0
39 mol 252 unq 0 iso 0 dist 9.01177 9.55574 11.6171 9.86407 16.4224 7.96299 numMergedOcc 0
40 mol 252 unq 1 iso 0 dist 9.15686 9.55574 11.2271 9.86407 8.19502 7.96299 numMergedOcc 0
41 mol 270 unq 0 iso 0 dist 4.60602 9.02113 5.00269 9.34963 12.8011 17.0543 numMergedOcc 0
42 mol 292 unq 0 iso 0 dist 6.84909 6.02089 9.83514 8.51266 11.4255 6.73772 numMergedOcc 0
43 mol 292 unq 1 iso 0 dist 6.84909 6.87804 8.04474 8.51266 11.4255 15.2885 numMergedOcc 0
